| 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 | 31.6 | Very low | 29.3 | Very low | 240 Ų | 240 | 166.2 Ų | 166.2 | 100% | 1.182 | 81% | 0.813 | S | S | * | * | 0 | 134.1 | 0 | -161.1 | 164.9 | 180 | 0 | 0 | 107.2 | L3 | M1-L3 PolarHBondContact O-N 3.08Å; M1-L3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | S | 29.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 162.4 Ų | 162.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -81 | 98 | -150.2 | -48.4 | 0 | 0 | 0 | 0 | 114.8 | F4 | S2-F4 PolarHBondContact O-N 3.23Š| ||
| 3 | L | 28.9 | Very low | 30.9 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -71.3 | 103.7 | 163.6 | -90.6 | 161.1 | 0 | 0 | 0 | 109.6 | M1 I5 | M1-L3 PolarHBondContact O-N 3.08Å; M1-L3 VanDerWaalsContact O-N 3.14Å; L3-I5 PolarHBondContact O-N 3.28Å | ||
| 4 | F | 29.4 | Very low | 32.3 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -67 | 98.6 | 167.2 | -98.4 | -96.2 | 0 | 0 | 0 | 109.2 | S2 W6 | S2-F4 PolarHBondContact O-N 3.23Å; F4-W6 PolarHBondContact O-N 3.45Å | ||
| 5 | I | 32.9 | Very low | 33.9 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -70.9 | 90.8 | 162.1 | -59.2 | 178.7 | 0 | 0 | 0 | 106.8 | L3 R7 | L3-I5 PolarHBondContact O-N 3.28Å; I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 3.48Å | ||
| 6 | W | 25.8 | Very low | 35.2 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | trans | -63.2 | 98.7 | 160.4 | -129.1 | 68.2 | 0 | 0 | 0 | 106.3 | F4 A8 | F4-W6 PolarHBondContact O-N 3.45Å; W6-A8 PolarHBondContact O-N 3.49Å | ||
| 7 | R | 26.3 | Very low | 36.6 | Very low | 219 Ų | 219 | 133.1 Ų | 133.1 | 83% | 0.826 | 66% | 0.663 | S | S | * | * | trans | -62.5 | 97 | 159.1 | -88.7 | -171.3 | 172.8 | -175.9 | -2.3 | 105.8 | I5 N9 | I5-R7 VanDerWaalsContact C-N 3.3Å; I5-R7 PolarHBondContact O-N 3.48Å; R7-N9 PolarHBondContact O-N 3.13Å; R7-N9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | A | 27.3 | Very low | 37.6 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 54% | 0.537 | 66% | 0.656 | S | S | . | * | trans | -57.5 | 115.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | W6 T10 | W6-A8 PolarHBondContact O-N 3.49Å; A8-T10 PolarHBondContact O-N 3.06Å | ||
| 9 | N | 28.4 | Very low | 38.3 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | trans | -65.3 | 93.6 | 160.8 | -80.3 | 4.2 | 0 | 0 | 0 | 105.7 | R7 Y11 | R7-N9 PolarHBondContact O-N 3.13Å; R7-N9 VanDerWaalsContact O-N 3.1Å; N9-Y11 PolarHBondContact O-N 3.3Å | ||
| 10 | T | 30.5 | Very low | 38 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | trans | -57.5 | 106.9 | 165.7 | 45.5 | 0 | 0 | 0 | 0 | 106.6 | A8 K12 | A8-T10 PolarHBondContact O-N 3.06Å; T10-K12 VanDerWaalsContact C-N 3.33Å; T10-K12 PolarHBondContact O-N 3.43Å | ||
| 11 | Y | 31.2 | Very low | 37.5 | Very low | 203 Ų | 203 | 120.1 Ų | 120.1 | 80% | 0.796 | 60% | 0.601 | S | S | * | * | trans | -55.8 | 102.7 | 165.7 | -96.9 | -102.2 | 0 | 0 | 0 | 106.8 | N9 A13 | N9-Y11 PolarHBondContact O-N 3.3Å; Y11-A13 PolarHBondContact O-N 2.95Å | ||
| 12 | K | 39.3 | Very low | 37.4 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 53% | 0.526 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 120 | 155.2 | -103.7 | -165.1 | 164.3 | -160.1 | 0 | 104.7 | T10 E14 E392 | T10-K12 VanDerWaalsContact C-N 3.33Å; T10-K12 PolarHBondContact O-N 3.43Å; K12-E14 PolarHBondContact O-N 2.86Å; K12-E392 WeakPolarHBondContact CE-OE2 3.33Å; K12-E392 PolarHBondContact NZ-O 3.02Å; K12-E392 IonicContact NZ-OE2 3.12Å; K12-E392 PolarHBondContact NZ-OE2 3.18Å |
| 13 | A | 41 | Very low | 37.5 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 67% | 0.669 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y11 Q15 | Y11-A13 PolarHBondContact O-N 2.95Å; A13-Q15 PolarHBondContact O-N 3.12Å |
| 14 | E | 50 | Low | 37.9 | Very low | 50 Ų | 50 | 112.5 Ų | 112.5 | 23% | 0.234 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -55 | 125.8 | 176.2 | -58.6 | -149.5 | 96.2 | 0 | 0 | 109.1 | K12 I16 Y255 S263 D264 | K12-E14 PolarHBondContact O-N 2.86Å; E14-I16 HydrophobicContact CB-CD1 4.01Å; E14-I16 HydrophobicContact CB-CG1 3.94Å; E14-I16 PolarHBondContact O-N 3.33Å; E14-Y255 WeakPolarHBondContact OE1-CE2 3.45Å; E14-Y255 PolarHBondContact OE1-OH 3.1Å; E14-S263 WeakPolarHBondContact OE1-CA 3.41Å; E14-S263 WeakPolarHBondContact OE2-CA 3.45Å; E14-S263 PolarHBondContact OE2-OG 3Å; E14-D264 HydrophobicContact CG-CB 4.45Å; E14-D264 PolarHBondContact OE2-N 3.06Å |
| 15 | Q | 56 | Low | 38.8 | Very low | 63 Ų | 63 | 108.8 Ų | 108.8 | 29% | 0.294 | 56% | 0.558 | S | S | . | * | trans | -79.5 | 67.1 | 175.2 | -64.8 | -163.2 | 13.4 | 0 | 0 | 109.4 | A13 L256 E392 | A13-Q15 PolarHBondContact O-N 3.12Å; Q15-L256 HydrophobicContact CB-CB 4.19Å; Q15-L256 WeakPolarHBondContact O-CA 3.29Å; Q15-L256 WeakPolarHBondContact O-CB 3.34Å; Q15-L256 PolarHBondContact O-N 3.36Å; Q15-E392 PolarHBondContact NE2-OE2 2.67Å | ||
| 16 | I | 54.9 | Low | 40.2 | Very low | 41 Ų | 41 | 108.8 Ų | 108.8 | 21% | 0.21 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 109.4 | 167.6 | -65.3 | 173.3 | 0 | 0 | 0 | 107.1 | E14 R18 I253 Y255 | E14-I16 HydrophobicContact CB-CD1 4.01Å; E14-I16 HydrophobicContact CB-CG1 3.94Å; E14-I16 PolarHBondContact O-N 3.33Å; I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 HydrophobicContact CG2-CG 3.83Å; I16-R18 PolarHBondContact O-N 3.12Å; I16-R18 VanDerWaalsContact O-N 3.15Å; I16-I253 HydrophobicContact CG2-CG2 3.43Å; I16-I253 VanDerWaalsContact CG2-CG2 3.43Å; I16-Y255 HydrophobicContact CD1-CD2 4.28Å; I16-Y255 HydrophobicContact CD1-CE2 4.46Å; I16-Y255 HydrophobicContact CG1-CD2 3.73Å; I16-Y255 HydrophobicContact CG1-CE2 4.16Å |
| 17 | I | 59.7 | Low | 42.8 | Very low | 79 Ų | 79 | 99.1 Ų | 99.1 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 89.3 | 164.8 | -58.9 | -173 | 0 | 0 | 0 | 107 | R19 A254 L256 | I17-R19 HydrophobicContact CG2-CG 4.5Å; I17-A254 HydrophobicContact CB-CB 4.13Å; I17-A254 PolarHBondContact N-O 2.76Å; I17-A254 PolarHBondContact O-N 3.44Å; I17-L256 HydrophobicContact CD1-CD1 3.47Å; I17-L256 VanDerWaalsContact CD1-CD1 3.47Å; I17-L256 HydrophobicContact CG1-CD1 3.85Å |
| 18 | R | 53 | Low | 45.7 | Very low | 140 Ų | 140 | 90.6 Ų | 90.6 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.4 | 160 | -73.6 | -166.5 | 175.3 | -124.4 | -6.3 | 108.2 | I16 N252 | I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 HydrophobicContact CG2-CG 3.83Å; I16-R18 PolarHBondContact O-N 3.12Å; I16-R18 VanDerWaalsContact O-N 3.15Å; R18-N252 WeakPolarHBondContact CA-O 3.39Å |
| 19 | R | 51.6 | Low | 48.6 | Very low | 24 Ų | 24 | 91.3 Ų | 91.3 | 9% | 0.091 | 49% | 0.492 | C | S | . | . | trans | -94.5 | 169.3 | -180 | -86.2 | 170 | 160.6 | 155.6 | -4.8 | 112.8 | I17 N252 E426 Q428 | I17-R19 HydrophobicContact CG2-CG 4.5Å; R19-N252 WeakPolarHBondContact CA-OD1 3.06Å; R19-N252 HydrophobicContact CB-CB 4.31Å; R19-N252 WeakPolarHBondContact CB-OD1 3.43Å; R19-N252 PolarHBondContact N-ND2 2.85Å; R19-N252 PolarHBondContact N-O 3.16Å; R19-N252 PolarHBondContact O-ND2 2.7Å; R19-N252 PolarHBondContact O-OD1 3.1Å; R19-E426 VanDerWaalsContact CD-OE1 3.3Å; R19-E426 WeakPolarHBondContact CD-OE1 3.41Å; R19-E426 IonicContact CZ-OE1 2.68Å; R19-E426 IonicContact NE-OE1 3.72Å; R19-E426 VanDerWaalsContact NH1-CD 3.3Å; R19-E426 IonicContact NH1-OE1 3.99Å; R19-E426 PolarHBondContact NH1-OE1 3.48Å; R19-Q428 VanDerWaalsContact CZ-CB 3.49Å; R19-Q428 VanDerWaalsContact CZ-CD 3.47Å; R19-Q428 VanDerWaalsContact CZ-OE1 3.22Å; R19-Q428 VanDerWaalsContact NH1-CB 3.34Å; R19-Q428 VanDerWaalsContact NH2-CB 3.31Å; R19-Q428 VanDerWaalsContact NH2-CD 3.27Å | ||
| 20 | G | 33 | Very low | 51.7 | Low | 27 Ų | 27 | 86.3 Ų | 86.3 | 28% | 0.278 | 47% | 0.468 | S | S | . | . | trans | -177.7 | 162.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | G22 | G20-G22 PolarHBondContact O-N 3.15Š| ||
| 21 | P | 26.5 | Very low | 54.7 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -79.6 | 57.3 | 179.8 | 35.1 | -37 | 0 | 0 | 0 | 111.5 | C190 N191 P193 | P21-C190 HydrophobicContact CG-CB 4.36Å; P21-N191 HydrophobicContact CG-CB 4.08Å; P21-P193 HydrophobicContact CB-CG 4.32Å |
| 22 | G | 29.7 | Very low | 57.7 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 176.1 | -176.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | G20 D24 | G20-G22 PolarHBondContact O-N 3.15Å; G22-D24 VanDerWaalsContact C-N 3.33Å |
| 23 | Q | 32.1 | Very low | 59.9 | Low | 181 Ų | 181 | 71.1 Ų | 71.1 | 85% | 0.846 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -85.6 | -5.7 | 171.1 | -72.1 | -169.2 | -18.8 | 0 | 0 | 113.1 | P25 | Q23-P25 VanDerWaalsContact O-CD 3.26Å; Q23-P25 WeakPolarHBondContact O-CD 3.33Å |
| 24 | D | 37.1 | Very low | 62.1 | Low | 121 Ų | 121 | 69 Ų | 69 | 65% | 0.647 | 38% | 0.376 | S | S | * | . | trans | -69.4 | 115.8 | 179 | -71.3 | -73.6 | 0 | 0 | 0 | 111.5 | G22 Q26 | G22-D24 VanDerWaalsContact C-N 3.33Å; D24-Q26 PolarHBondContact O-N 3.33Å | ||
| 25 | P | 49 | Very low | 63.8 | Low | 104 Ų | 104 | 70.3 Ų | 70.3 | 68% | 0.675 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -71.9 | 12.8 | -170.5 | -21.2 | 34.9 | 0 | 0 | 0 | 116 | Q23 | Q23-P25 VanDerWaalsContact O-CD 3.26Å; Q23-P25 WeakPolarHBondContact O-CD 3.33Å |
| 26 | Q | 61.7 | Low | 65.3 | Low | 148 Ų | 148 | 74.6 Ų | 74.6 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | trans | -142.2 | 106.7 | -172.2 | -61.9 | -175.7 | 51.6 | 0 | 0 | 110.3 | D24 A28 | D24-Q26 PolarHBondContact O-N 3.33Å; Q26-A28 HydrophobicContact CB-CB 4.2Å; Q26-A28 PolarHBondContact O-N 2.87Å | ||
| 27 | C | 80.9 | Confident | 66.9 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 14% | 0.135 | 43% | 0.429 | C | S | . | . | trans | -66.4 | 75.5 | 168.9 | -178 | 0 | 0 | 0 | 0 | 110.3 | S102 G189 C190 | C27-S102 PolarHBondContact O-OG 2.83Å; C27-G189 CarbonylContact C-O 3.53Å; C27-C190 HydrophobicContact CB-CB 3.95Å; C27-C190 WeakPolarHBondContact CB-SG 3.03Å; C27-C190 WeakPolarHBondContact SG-CB 3.48Å; C27-C190 PolarHBondContact SG-N 2.76Å; C27-C190 CovalentContact SG-SG 2.04Å; C27-C190 PolarHBondContact SG-SG 3Å | ||
| 28 | A | 86.4 | Confident | 68.6 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | trans | -147.4 | 34.5 | -168 | 0 | 0 | 0 | 0 | 0 | 112 | Q26 Y188 G189 | Q26-A28 HydrophobicContact CB-CB 4.2Å; Q26-A28 PolarHBondContact O-N 2.87Å; A28-Y188 HydrophobicContact CB-CD1 4.37Å; A28-Y188 WeakPolarHBondContact O-CD1 3.38Å; A28-Y188 WeakPolarHBondContact O-CE1 3.15Å; A28-G189 CarbonylContact C-O 3.51Å; A28-G189 PolarHBondContact N-O 3.44Å | ||
| 29 | D | 89.7 | Confident | 70.6 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.3 | 173.9 | -69.3 | -55.3 | 0 | 0 | 0 | 112.4 | L31 Y188 G189 | D29-L31 PolarHBondContact O-N 3.25Å; D29-Y188 WeakPolarHBondContact O-CA 3.23Å; D29-G189 WeakPolarHBondContact CB-O 3.39Å; D29-G189 PolarHBondContact N-O 3.1Å; D29-G189 PolarHBondContact O-N 3.07Å; D29-G189 VanDerWaalsContact O-N 3.14Å |
| 30 | P | 92.5 | Very high | 72.7 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 96.4 | 167.4 | -33.7 | 42.1 | 0 | 0 | 0 | 115.5 | I32 K33 Y66 Y188 | P30-I32 PolarHBondContact O-N 3.09Å; P30-K33 HydrophobicContact CB-CB 3.77Å; P30-K33 HydrophobicContact CB-CD 4.02Å; P30-K33 HydrophobicContact CB-CG 3.96Å; P30-Y66 HydrophobicContact CB-CD1 3.48Å; P30-Y66 VanDerWaalsContact CB-CD1 3.48Å; P30-Y66 HydrophobicContact CB-CE1 3.36Å; P30-Y66 HydrophobicContact CB-CG 4.14Å; P30-Y66 HydrophobicContact CG-CD1 3.6Å; P30-Y66 HydrophobicContact CG-CE1 3.82Å; P30-Y66 HydrophobicContact CG-CG 4.45Å; P30-Y188 HydrophobicContact CG-CE1 4.46Å |
| 31 | L | 93.8 | Very high | 75.7 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.089 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.3 | -175.2 | -64.4 | 179.9 | 0 | 0 | 0 | 115.3 | D29 F95 V99 I101 L187 | D29-L31 PolarHBondContact O-N 3.25Å; L31-F95 HydrophobicContact CB-CE1 3.97Å; L31-F95 HydrophobicContact CB-CZ 4.18Å; L31-F95 HydrophobicContact CD1-CZ 4.49Å; L31-V99 HydrophobicContact CD1-CB 4.32Å; L31-V99 HydrophobicContact CD1-CG2 4.23Å; L31-V99 HydrophobicContact CD2-CB 4.38Å; L31-V99 HydrophobicContact CD2-CG1 4.21Å; L31-I101 HydrophobicContact CD1-CG1 3.83Å; L31-L187 HydrophobicContact CB-CB 4.01Å; L31-L187 HydrophobicContact CD1-CB 4.31Å; L31-L187 PolarHBondContact N-O 2.84Å |
| 32 | I | 94 | Very high | 79.1 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 32.5 | -179.9 | 61.8 | 174.8 | 0 | 0 | 0 | 113 | P30 F38 F43 R61 Y66 F95 F185 L187 | P30-I32 PolarHBondContact O-N 3.09Å; I32-F38 HydrophobicContact CB-CB 4.48Å; I32-F38 HydrophobicContact CB-CD1 4.06Å; I32-F38 HydrophobicContact CB-CE1 4.48Å; I32-F38 HydrophobicContact CB-CG 4.12Å; I32-F38 HydrophobicContact CG2-CD1 3.82Å; I32-F38 HydrophobicContact CG2-CD2 3.78Å; I32-F38 HydrophobicContact CG2-CE1 3.88Å; I32-F38 HydrophobicContact CG2-CE2 3.84Å; I32-F38 HydrophobicContact CG2-CG 3.77Å; I32-F38 HydrophobicContact CG2-CZ 3.89Å; I32-F43 HydrophobicContact CD1-CE1 4.31Å; I32-F43 HydrophobicContact CD1-CZ 4.27Å; I32-R61 PolarHBondContact O-NH1 2.78Å; I32-Y66 HydrophobicContact CG1-CE2 4.27Å; I32-Y66 WeakPolarHBondContact CG1-OH 3.47Å; I32-Y66 PolarHBondContact N-OH 3.47Å; I32-F95 HydrophobicContact CG2-CE1 4.04Å; I32-F95 HydrophobicContact CG2-CZ 4.13Å; I32-F185 HydrophobicContact CD1-CD2 3.81Å; I32-F185 HydrophobicContact CD1-CE2 3.6Å; I32-F185 HydrophobicContact CD1-CZ 4.17Å; I32-F185 WeakPolarHBondContact CD1-O 3.45Å; I32-L187 HydrophobicContact CD1-CG 4.23Å; I32-L187 HydrophobicContact CG1-CB 4.4Å; I32-L187 HydrophobicContact CG2-CD1 4.3Å |
| 33 | K | 86 | Confident | 82.3 | Confident | 113 Ų | 113 | 71.6 Ų | 71.6 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | trans | -53.2 | -60.8 | -166.4 | -167 | -179.9 | -178 | 177 | 0 | 115.4 | P30 Y66 | P30-K33 HydrophobicContact CB-CB 3.77Å; P30-K33 HydrophobicContact CB-CD 4.02Å; P30-K33 HydrophobicContact CB-CG 3.96Å; K33-Y66 HydrophobicContact CB-CD2 4.47Å; K33-Y66 HydrophobicContact CG-CD2 4.37Å; K33-Y66 HydrophobicContact CG-CG 4.39Å | ||
| 34 | S | 85.6 | Confident | 85.5 | Confident | 37 Ų | 37 | 65 Ų | 65 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | trans | -135.2 | 165.9 | -175.5 | 72.8 | 0 | 0 | 0 | 0 | 111.9 | D36 T37 F38 R61 | S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 2.93Å; S34-T37 PolarHBondContact N-OG1 3.3Å; S34-T37 PolarHBondContact O-N 3.02Å; S34-T37 PolarHBondContact O-OG1 2.97Å; S34-T37 PolarHBondContact OG-N 2.6Å; S34-T37 PolarHBondContact OG-OG1 3.33Å; S34-F38 PolarHBondContact O-N 3.16Å; S34-R61 PolarHBondContact O-NH1 2.97Å | ||
| 35 | V | 86.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -39.3 | 176.6 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | T37 F38 P39 | V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3.49Å; V35-F38 CarbonylContact O-C 3.47Å; V35-F38 VanDerWaalsContact O-C 3.27Å; V35-F38 PolarHBondContact O-N 3.17Å; V35-P39 WeakPolarHBondContact O-CA 3.25Å |
| 36 | D | 87.4 | Confident | 90.6 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 82% | 0.824 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.8 | 178.7 | -41.3 | -46.4 | 0 | 0 | 0 | 113 | S34 | S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 2.93Å |
| 37 | T | 88.4 | Confident | 92.3 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -27.5 | -179.5 | 53 | 0 | 0 | 0 | 0 | 113.6 | S34 V35 | S34-T37 PolarHBondContact N-OG1 3.3Å; S34-T37 PolarHBondContact O-N 3.02Å; S34-T37 PolarHBondContact O-OG1 2.97Å; S34-T37 PolarHBondContact OG-N 2.6Å; S34-T37 PolarHBondContact OG-OG1 3.33Å; V35-T37 VanDerWaalsContact C-N 3.32Å; V35-T37 PolarHBondContact O-N 3.49Å |
| 38 | F | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -151.5 | 93.8 | -176.1 | -170.5 | -88.5 | 0 | 0 | 0 | 107.4 | I32 S34 V35 S42 F43 R61 A93 E94 F95 | I32-F38 HydrophobicContact CB-CB 4.48Å; I32-F38 HydrophobicContact CB-CD1 4.06Å; I32-F38 HydrophobicContact CB-CE1 4.48Å; I32-F38 HydrophobicContact CB-CG 4.12Å; I32-F38 HydrophobicContact CG2-CD1 3.82Å; I32-F38 HydrophobicContact CG2-CD2 3.78Å; I32-F38 HydrophobicContact CG2-CE1 3.88Å; I32-F38 HydrophobicContact CG2-CE2 3.84Å; I32-F38 HydrophobicContact CG2-CG 3.77Å; I32-F38 HydrophobicContact CG2-CZ 3.89Å; S34-F38 PolarHBondContact O-N 3.16Å; V35-F38 CarbonylContact O-C 3.47Å; V35-F38 VanDerWaalsContact O-C 3.27Å; V35-F38 PolarHBondContact O-N 3.17Å; F38-S42 VanDerWaalsContact CE1-CB 3.46Å; F38-F43 HydrophobicContact CD1-CD2 4.15Å; F38-F43 AromaticContact CD1-CE2 3.55Å; F38-F43 HydrophobicContact CD1-CE2 3.55Å; F38-F43 AromaticContact CD1-CZ 3.84Å; F38-F43 HydrophobicContact CD1-CZ 3.84Å; F38-F43 HydrophobicContact CE1-CD1 4.24Å; F38-F43 AromaticContact CE1-CD2 3.73Å; F38-F43 HydrophobicContact CE1-CD2 3.73Å; F38-F43 AromaticContact CE1-CE1 3.99Å; F38-F43 HydrophobicContact CE1-CE1 3.99Å; F38-F43 AromaticContact CE1-CE2 3.46Å; F38-F43 HydrophobicContact CE1-CE2 3.46Å; F38-F43 VanDerWaalsContact CE1-CE2 3.46Å; F38-F43 HydrophobicContact CE1-CG 4.13Å; F38-F43 AromaticContact CE1-CZ 3.6Å; F38-F43 HydrophobicContact CE1-CZ 3.6Å; F38-R61 VanDerWaalsContact O-CZ 3.32Å; F38-R61 PolarHBondContact O-NH1 3.13Å; F38-R61 PolarHBondContact O-NH2 2.86Å; F38-A93 HydrophobicContact CE1-CB 4.4Å; F38-A93 HydrophobicContact CZ-CB 3.71Å; F38-E94 WeakPolarHBondContact CE2-O 3.36Å; F38-F95 AromaticContact CD2-CD1 3.9Å; F38-F95 HydrophobicContact CD2-CD1 3.9Å; F38-F95 AromaticContact CD2-CE1 3.81Å; F38-F95 HydrophobicContact CD2-CE1 3.81Å; F38-F95 AromaticContact CE2-CD1 3.6Å; F38-F95 HydrophobicContact CE2-CD1 3.6Å; F38-F95 AromaticContact CE2-CE1 3.53Å; F38-F95 HydrophobicContact CE2-CE1 3.53Å; F38-F95 HydrophobicContact CE2-CG 4.25Å; F38-F95 HydrophobicContact CE2-CZ 4.15Å |
| 39 | P | 95.5 | Very high | 93.4 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | trans | -69.6 | 160.4 | -169.7 | 28.7 | -35.9 | 0 | 0 | 0 | 112 | V35 T41 S42 | V35-P39 WeakPolarHBondContact O-CA 3.25Å; P39-T41 PolarHBondContact O-N 3.03Å; P39-T41 VanDerWaalsContact O-N 3.15Å; P39-S42 WeakPolarHBondContact O-CB 3.25Å; P39-S42 PolarHBondContact O-N 2.82Å | ||
| 40 | D | 95.5 | Very high | 93.6 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -64.5 | -21.4 | -178.3 | -71.3 | -8.6 | 0 | 0 | 0 | 112.7 | S42 F43 F58 R61 | D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 2.86Å; D40-F43 PolarHBondContact O-N 2.97Å; D40-F58 HydrophobicContact CB-CB 3.56Å; D40-F58 HydrophobicContact CB-CD1 4.27Å; D40-F58 HydrophobicContact CB-CD2 4.28Å; D40-F58 HydrophobicContact CB-CG 3.8Å; D40-F58 VanDerWaalsContact CG-CB 3.5Å; D40-F58 WeakPolarHBondContact OD2-CD2 3.39Å; D40-R61 IonicContact OD1-CZ 2.75Å; D40-R61 IonicContact OD1-NH2 3.17Å; D40-R61 PolarHBondContact OD1-NH2 2.89Å |
| 41 | T | 96.4 | Very high | 93.7 | Very high | 129 Ų | 129 | 60.3 Ų | 60.3 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.6 | 170.4 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | P39 F43 | P39-T41 PolarHBondContact O-N 3.03Å; P39-T41 VanDerWaalsContact O-N 3.15Å; T41-F43 PolarHBondContact O-N 2.88Å |
| 42 | S | 97.5 | Very high | 93.7 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -79.4 | -0.9 | 173.5 | -78.3 | 0 | 0 | 0 | 0 | 113.4 | F38 P39 D40 A93 E94 | F38-S42 VanDerWaalsContact CE1-CB 3.46Å; P39-S42 WeakPolarHBondContact O-CB 3.25Å; P39-S42 PolarHBondContact O-N 2.82Å; D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 2.86Å; S42-A93 WeakPolarHBondContact O-CA 3.48Å; S42-E94 WeakPolarHBondContact CB-O 3.34Å; S42-E94 PolarHBondContact O-N 2.89Å; S42-E94 PolarHBondContact OG-O 3.31Å |
| 43 | F | 97.9 | Very high | 93.7 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.6 | 169.5 | -65.4 | -87.7 | 0 | 0 | 0 | 111.6 | I32 F38 D40 T41 P57 F58 R61 Q92 F185 | I32-F43 HydrophobicContact CD1-CE1 4.31Å; I32-F43 HydrophobicContact CD1-CZ 4.27Å; F38-F43 HydrophobicContact CD1-CD2 4.15Å; F38-F43 AromaticContact CD1-CE2 3.55Å; F38-F43 HydrophobicContact CD1-CE2 3.55Å; F38-F43 AromaticContact CD1-CZ 3.84Å; F38-F43 HydrophobicContact CD1-CZ 3.84Å; F38-F43 HydrophobicContact CE1-CD1 4.24Å; F38-F43 AromaticContact CE1-CD2 3.73Å; F38-F43 HydrophobicContact CE1-CD2 3.73Å; F38-F43 AromaticContact CE1-CE1 3.99Å; F38-F43 HydrophobicContact CE1-CE1 3.99Å; F38-F43 AromaticContact CE1-CE2 3.46Å; F38-F43 HydrophobicContact CE1-CE2 3.46Å; F38-F43 VanDerWaalsContact CE1-CE2 3.46Å; F38-F43 HydrophobicContact CE1-CG 4.13Å; F38-F43 AromaticContact CE1-CZ 3.6Å; F38-F43 HydrophobicContact CE1-CZ 3.6Å; D40-F43 PolarHBondContact O-N 2.97Å; T41-F43 PolarHBondContact O-N 2.88Å; F43-P57 HydrophobicContact CB-CB 3.76Å; F43-F58 HydrophobicContact CB-CB 4.38Å; F43-F58 HydrophobicContact CD2-CB 3.81Å; F43-F58 HydrophobicContact CE2-CB 4.4Å; F43-F58 HydrophobicContact CG-CB 4.33Å; F43-R61 HydrophobicContact CZ-CB 4.21Å; F43-Q92 WeakPolarHBondContact CA-O 3.44Å; F43-F185 HydrophobicContact CD1-CE1 4.45Å; F43-F185 HydrophobicContact CD1-CZ 4.25Å; F43-F185 HydrophobicContact CE1-CE1 4.05Å; F43-F185 AromaticContact CE1-CZ 3.79Å; F43-F185 HydrophobicContact CE1-CZ 3.79Å |
| 44 | S | 97.8 | Very high | 94 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 167.9 | 168.6 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | Q92 | S44-Q92 PolarHBondContact N-O 2.73Å; S44-Q92 VanDerWaalsContact N-O 3.16Å; S44-Q92 PolarHBondContact O-N 2.94Å |
| 45 | S | 97.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 161.6 | -179 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | S47 P57 W90 | S45-S47 PolarHBondContact O-N 2.86Å; S45-S47 PolarHBondContact OG-O 2.83Å; S45-P57 VanDerWaalsContact OG-CG 3.32Å; S45-P57 WeakPolarHBondContact OG-CG 3.37Å; S45-W90 CarbonylContact C-O 3.5Å; S45-W90 VanDerWaalsContact CA-CZ3 3.49Å; S45-W90 VanDerWaalsContact CA-O 3.23Å; S45-W90 WeakPolarHBondContact CA-O 3.44Å; S45-W90 WeakPolarHBondContact CB-O 3.27Å |
| 46 | S | 96.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -56.4 | -43.1 | 166.3 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | E89 W90 | S46-E89 WeakPolarHBondContact CB-OE2 3.16Å; S46-E89 VanDerWaalsContact OG-CA 3.27Å; S46-E89 WeakPolarHBondContact OG-CA 3.37Å; S46-E89 PolarHBondContact OG-OE2 3.06Å; S46-W90 PolarHBondContact N-O 2.69Å; S46-W90 PolarHBondContact OG-N 2.99Å; S46-W90 PolarHBondContact OG-O 3.33Å |
| 47 | S | 96.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -164 | 162.2 | -176.9 | 76.1 | 0 | 0 | 0 | 0 | 112.2 | S45 W77 N80 E89 | S45-S47 PolarHBondContact O-N 2.86Å; S45-S47 PolarHBondContact OG-O 2.83Å; S47-W77 PolarHBondContact O-NE1 3.28Å; S47-N80 WeakPolarHBondContact OG-CB 3.02Å; S47-N80 PolarHBondContact OG-N 2.85Å; S47-E89 PolarHBondContact OG-OE1 2.86Å; S47-E89 PolarHBondContact OG-OE2 2.76Å | ||
| 48 | V | 97.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | trans | -127.8 | 130.4 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | K50 N51 F55 P57 | V48-K50 PolarHBondContact O-N 2.78Å; V48-N51 PolarHBondContact O-N 3.42Å; V48-F55 HydrophobicContact CG1-CB 3.85Å; V48-F55 WeakPolarHBondContact CG1-O 3.42Å; V48-P57 HydrophobicContact CG2-CG 4.32Å | ||
| 49 | W | 94.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 26% | 0.261 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -58.7 | 119 | -178.6 | -174.2 | 39.7 | 0 | 0 | 0 | 111.4 | N51 A52 F55 C78 N80 | W49-N51 PolarHBondContact O-N 3.02Å; W49-A52 PolarHBondContact O-N 3.38Å; W49-A52 VanDerWaalsContact O-N 3.12Å; W49-F55 HydrophobicContact CB-CD2 4.06Å; W49-F55 HydrophobicContact CD2-CD2 4.33Å; W49-F55 HydrophobicContact CD2-CE2 4.16Å; W49-F55 AromaticContact CE3-CD2 3.67Å; W49-F55 HydrophobicContact CE3-CD2 3.67Å; W49-F55 AromaticContact CE3-CE2 3.25Å; W49-F55 HydrophobicContact CE3-CE2 3.25Å; W49-F55 AromaticContact CE3-CZ 3.93Å; W49-F55 HydrophobicContact CE3-CZ 3.93Å; W49-F55 AromaticContact CZ3-CE2 3.68Å; W49-F55 HydrophobicContact CZ3-CE2 3.68Å; W49-F55 AromaticContact CZ3-CZ 3.99Å; W49-F55 HydrophobicContact CZ3-CZ 3.99Å; W49-C78 HydrophobicContact CB-CB 4.02Å; W49-C78 WeakPolarHBondContact CB-O 3.31Å; W49-C78 HydrophobicContact CE3-CB 4.46Å; W49-C78 PolarHBondContact N-O 3.06Å; W49-N80 WeakPolarHBondContact CA-OD1 3.47Å |
| 50 | K | 93.7 | Very high | 95.7 | Very high | 154 Ų | 154 | 54 Ų | 54 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | 54.7 | 13.8 | -174.7 | -53.9 | 172.1 | -177.7 | 170.1 | 0 | 114.9 | V48 A52 N80 | V48-K50 PolarHBondContact O-N 2.78Å; K50-A52 PolarHBondContact O-N 2.86Å; K50-N80 PolarHBondContact N-OD1 2.85Å; K50-N80 VanDerWaalsContact N-OD1 3.09Å |
| 51 | N | 94.6 | Very high | 95.6 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | 50.3 | 32.1 | -166.9 | -161.7 | 27.8 | 0 | 0 | 0 | 114.6 | V48 W49 Q56 | V48-N51 PolarHBondContact O-N 3.42Å; W49-N51 PolarHBondContact O-N 3.02Å; N51-Q56 PolarHBondContact O-NE2 2.94Å; N51-Q56 PolarHBondContact OD1-NE2 2.89Å |
| 52 | A | 94.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 46 Ų | 46 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | trans | -68.5 | 147.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W49 K50 D54 F55 Q56 | W49-A52 PolarHBondContact O-N 3.38Å; W49-A52 VanDerWaalsContact O-N 3.12Å; K50-A52 PolarHBondContact O-N 2.86Å; A52-D54 PolarHBondContact O-N 3.16Å; A52-F55 HydrophobicContact CB-CD2 3.65Å; A52-F55 HydrophobicContact CB-CE2 4.05Å; A52-F55 HydrophobicContact CB-CG 4.32Å; A52-F55 PolarHBondContact O-N 2.71Å; A52-Q56 WeakPolarHBondContact O-CG 3.46Å; A52-Q56 PolarHBondContact O-NE2 3.36Å; A52-Q56 VanDerWaalsContact O-NE2 3.16Å | ||
| 53 | T | 93.8 | Very high | 94.9 | Very high | 99 Ų | 99 | 45.4 Ų | 45.4 | 61% | 0.607 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -56.1 | -31.7 | 175.4 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | F55 | T53-F55 VanDerWaalsContact C-N 3.3Š|
| 54 | D | 92 | Very high | 94.1 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.342 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -85.8 | -13.8 | -169.9 | -46.2 | -19.6 | 0 | 0 | 0 | 111.5 | A52 Y75 A76 | A52-D54 PolarHBondContact O-N 3.16Å; D54-Y75 HydrophobicContact CB-CD1 3.81Å; D54-Y75 HydrophobicContact CB-CE1 4.01Å; D54-A76 PolarHBondContact O-N 2.93Å |
| 55 | F | 94.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -112.8 | 7.8 | -176.9 | -49.8 | -33.7 | 0 | 0 | 0 | 114.1 | V48 W49 A52 T53 A76 W77 C78 | V48-F55 HydrophobicContact CG1-CB 3.85Å; V48-F55 WeakPolarHBondContact CG1-O 3.42Å; W49-F55 HydrophobicContact CB-CD2 4.06Å; W49-F55 HydrophobicContact CD2-CD2 4.33Å; W49-F55 HydrophobicContact CD2-CE2 4.16Å; W49-F55 AromaticContact CE3-CD2 3.67Å; W49-F55 HydrophobicContact CE3-CD2 3.67Å; W49-F55 AromaticContact CE3-CE2 3.25Å; W49-F55 HydrophobicContact CE3-CE2 3.25Å; W49-F55 AromaticContact CE3-CZ 3.93Å; W49-F55 HydrophobicContact CE3-CZ 3.93Å; W49-F55 AromaticContact CZ3-CE2 3.68Å; W49-F55 HydrophobicContact CZ3-CE2 3.68Å; W49-F55 AromaticContact CZ3-CZ 3.99Å; W49-F55 HydrophobicContact CZ3-CZ 3.99Å; A52-F55 HydrophobicContact CB-CD2 3.65Å; A52-F55 HydrophobicContact CB-CE2 4.05Å; A52-F55 HydrophobicContact CB-CG 4.32Å; A52-F55 PolarHBondContact O-N 2.71Å; T53-F55 VanDerWaalsContact C-N 3.3Å; F55-A76 VanDerWaalsContact CA-O 3.26Å; F55-A76 WeakPolarHBondContact CA-O 3.41Å; F55-W77 WeakPolarHBondContact O-CA 3.38Å; F55-C78 HydrophobicContact CB-CB 4.02Å; F55-C78 HydrophobicContact CD1-CB 4.34Å; F55-C78 WeakPolarHBondContact CD1-SG 3.36Å; F55-C78 HydrophobicContact CD2-CB 4.41Å; F55-C78 HydrophobicContact CG-CB 3.99Å |
| 56 | Q | 96.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -62.8 | 153.4 | 176.9 | -65 | -61.4 | -31.9 | 0 | 0 | 112 | N51 A52 F58 R59 | N51-Q56 PolarHBondContact O-NE2 2.94Å; N51-Q56 PolarHBondContact OD1-NE2 2.89Å; A52-Q56 WeakPolarHBondContact O-CG 3.46Å; A52-Q56 PolarHBondContact O-NE2 3.36Å; A52-Q56 VanDerWaalsContact O-NE2 3.16Å; Q56-F58 VanDerWaalsContact C-N 3.32Å; Q56-F58 HydrophobicContact CB-CD1 3.84Å; Q56-F58 HydrophobicContact CB-CE1 3.34Å; Q56-F58 HydrophobicContact CB-CZ 3.85Å; Q56-F58 HydrophobicContact CG-CE1 4.02Å; Q56-F58 HydrophobicContact CG-CZ 4.37Å; Q56-F58 PolarHBondContact O-N 3.44Å; Q56-R59 HydrophobicContact CB-CG 4.48Å; Q56-R59 VanDerWaalsContact O-CB 3.25Å; Q56-R59 WeakPolarHBondContact O-CB 3.3Å; Q56-R59 PolarHBondContact O-N 3.04Å |
| 57 | P | 97.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -57.1 | -39.3 | -169.5 | -30.1 | 39.8 | 0 | 0 | 0 | 114.7 | F43 S45 V48 R59 A60 I91 | F43-P57 HydrophobicContact CB-CB 3.76Å; S45-P57 VanDerWaalsContact OG-CG 3.32Å; S45-P57 WeakPolarHBondContact OG-CG 3.37Å; V48-P57 HydrophobicContact CG2-CG 4.32Å; P57-R59 PolarHBondContact O-N 2.8Å; P57-A60 WeakPolarHBondContact O-CB 3.29Å; P57-A60 PolarHBondContact O-N 3.33Å; P57-I91 HydrophobicContact CB-CD1 4.05Å; P57-I91 HydrophobicContact CB-CG1 4.48Å; P57-I91 WeakPolarHBondContact O-CD1 3.49Å |
| 58 | F | 95.3 | Very high | 90.3 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.1 | -21.6 | 177.9 | 63 | -92.1 | 0 | 0 | 0 | 114.1 | D40 F43 Q56 A60 R61 | D40-F58 HydrophobicContact CB-CB 3.56Å; D40-F58 HydrophobicContact CB-CD1 4.27Å; D40-F58 HydrophobicContact CB-CD2 4.28Å; D40-F58 HydrophobicContact CB-CG 3.8Å; D40-F58 VanDerWaalsContact CG-CB 3.5Å; D40-F58 WeakPolarHBondContact OD2-CD2 3.39Å; F43-F58 HydrophobicContact CB-CB 4.38Å; F43-F58 HydrophobicContact CD2-CB 3.81Å; F43-F58 HydrophobicContact CE2-CB 4.4Å; F43-F58 HydrophobicContact CG-CB 4.33Å; Q56-F58 VanDerWaalsContact C-N 3.32Å; Q56-F58 HydrophobicContact CB-CD1 3.84Å; Q56-F58 HydrophobicContact CB-CE1 3.34Å; Q56-F58 HydrophobicContact CB-CZ 3.85Å; Q56-F58 HydrophobicContact CG-CE1 4.02Å; Q56-F58 HydrophobicContact CG-CZ 4.37Å; Q56-F58 PolarHBondContact O-N 3.44Å; F58-A60 PolarHBondContact O-N 2.83Å; F58-A60 VanDerWaalsContact O-N 3.16Å; F58-R61 PolarHBondContact O-N 3.37Å |
| 59 | R | 94.4 | Very high | 88.8 | Confident | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -68.3 | -6.5 | 171.3 | -60.8 | -59 | -163 | 177.7 | 4.9 | 113.2 | Q56 P57 R61 Y75 A76 | Q56-R59 HydrophobicContact CB-CG 4.48Å; Q56-R59 VanDerWaalsContact O-CB 3.25Å; Q56-R59 WeakPolarHBondContact O-CB 3.3Å; Q56-R59 PolarHBondContact O-N 3.04Å; P57-R59 PolarHBondContact O-N 2.8Å; R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.84Å; R59-Y75 HydrophobicContact CG-CD1 4.39Å; R59-A76 WeakPolarHBondContact O-CA 3.35Å |
| 60 | A | 95.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -77.3 | -5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P57 F58 L62 W77 I91 L183 R184 F185 | P57-A60 WeakPolarHBondContact O-CB 3.29Å; P57-A60 PolarHBondContact O-N 3.33Å; F58-A60 PolarHBondContact O-N 2.83Å; F58-A60 VanDerWaalsContact O-N 3.16Å; A60-L62 PolarHBondContact O-N 2.82Å; A60-L62 VanDerWaalsContact O-N 3.15Å; A60-W77 HydrophobicContact CB-CB 3.83Å; A60-I91 HydrophobicContact CB-CD1 3.52Å; A60-L183 WeakPolarHBondContact CB-O 3.15Å; A60-R184 CarbonylContact O-C 3.5Å; A60-R184 WeakPolarHBondContact O-CA 3.38Å; A60-F185 HydrophobicContact CB-CD1 3.83Å; A60-F185 HydrophobicContact CB-CE1 3.77Å; A60-F185 PolarHBondContact O-N 3.16Å |
| 61 | R | 94 | Very high | 86 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -64.9 | 111.4 | -179.3 | -166.7 | -166.9 | -58.4 | -95.1 | 7.3 | 111.6 | I32 S34 F38 D40 F43 F58 R59 T63 | I32-R61 PolarHBondContact O-NH1 2.78Å; S34-R61 PolarHBondContact O-NH1 2.97Å; F38-R61 VanDerWaalsContact O-CZ 3.32Å; F38-R61 PolarHBondContact O-NH1 3.13Å; F38-R61 PolarHBondContact O-NH2 2.86Å; D40-R61 IonicContact OD1-CZ 2.75Å; D40-R61 IonicContact OD1-NH2 3.17Å; D40-R61 PolarHBondContact OD1-NH2 2.89Å; F43-R61 HydrophobicContact CZ-CB 4.21Å; F58-R61 PolarHBondContact O-N 3.37Å; R59-R61 VanDerWaalsContact C-N 3.28Å; R59-R61 PolarHBondContact O-N 2.84Å; R61-T63 HydrophobicContact CG-CG2 3.82Å; R61-T63 PolarHBondContact O-N 2.63Å; R61-T63 VanDerWaalsContact O-N 3.14Å |
| 62 | L | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -87 | 76.3 | 179.8 | -173.7 | 59.3 | 0 | 0 | 0 | 111.7 | A60 E64 V65 F105 A107 I154 R184 F185 A186 | A60-L62 PolarHBondContact O-N 2.82Å; A60-L62 VanDerWaalsContact O-N 3.15Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 HydrophobicContact CD1-CB 4.21Å; L62-E64 HydrophobicContact CD1-CG 4.37Å; L62-E64 PolarHBondContact O-N 2.85Å; L62-V65 HydrophobicContact CD2-CG2 3.66Å; L62-V65 HydrophobicContact CG-CG2 3.87Å; L62-F105 HydrophobicContact CD2-CB 4.43Å; L62-A107 HydrophobicContact CD1-CB 3.89Å; L62-A107 HydrophobicContact CD2-CB 3.89Å; L62-I154 HydrophobicContact CD2-CG1 4.33Å; L62-I154 HydrophobicContact CD2-CG2 4.11Å; L62-R184 HydrophobicContact CB-CB 4.05Å; L62-R184 HydrophobicContact CD1-CB 3.98Å; L62-R184 HydrophobicContact CG-CB 4.48Å; L62-F185 VanDerWaalsContact CB-O 3.29Å; L62-F185 WeakPolarHBondContact CB-O 3.47Å; L62-F185 PolarHBondContact N-O 3.49Å; L62-A186 HydrophobicContact CB-CB 4.04Å | ||
| 63 | T | 86.2 | Confident | 83.5 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67.6 | -22.3 | -176.4 | 55 | 0 | 0 | 0 | 0 | 114 | R61 V65 Y66 S68 E70 | R61-T63 HydrophobicContact CG-CG2 3.82Å; R61-T63 PolarHBondContact O-N 2.63Å; R61-T63 VanDerWaalsContact O-N 3.14Å; T63-V65 VanDerWaalsContact C-N 3.32Å; T63-V65 PolarHBondContact O-N 3.24Å; T63-Y66 PolarHBondContact O-N 3.43Å; T63-Y66 VanDerWaalsContact O-N 3.07Å; T63-S68 VanDerWaalsContact O-CB 3.25Å; T63-S68 WeakPolarHBondContact O-CB 3.32Å; T63-S68 PolarHBondContact O-N 2.86Å; T63-E70 PolarHBondContact OG1-OE2 3.15Å |
| 64 | E | 80.9 | Confident | 82.9 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -53.8 | -41.8 | 176.7 | -63.9 | 171.6 | -177.4 | 0 | 0 | 113.1 | L62 Y66 G67 I154 R184 | L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 HydrophobicContact CD1-CB 4.21Å; L62-E64 HydrophobicContact CD1-CG 4.37Å; L62-E64 PolarHBondContact O-N 2.85Å; E64-Y66 PolarHBondContact O-N 2.84Å; E64-G67 PolarHBondContact O-N 2.9Å; E64-I154 HydrophobicContact CB-CD1 4.45Å; E64-R184 VanDerWaalsContact CD-NH1 3.34Å; E64-R184 IonicContact OE1-CZ 2.69Å; E64-R184 IonicContact OE1-NH1 3.89Å; E64-R184 PolarHBondContact OE1-NH1 3.11Å; E64-R184 IonicContact OE1-NH2 3.2Å; E64-R184 IonicContact OE2-NH1 2.77Å; E64-R184 IonicContact OE2-NH2 2.76Å |
| 65 | V | 81.3 | Confident | 82.8 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -66.4 | -28.6 | -179.4 | 179 | 0 | 0 | 0 | 0 | 111.6 | L62 T63 G67 F105 I154 A186 Y188 | L62-V65 HydrophobicContact CD2-CG2 3.66Å; L62-V65 HydrophobicContact CG-CG2 3.87Å; T63-V65 VanDerWaalsContact C-N 3.32Å; T63-V65 PolarHBondContact O-N 3.24Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 3.06Å; V65-F105 HydrophobicContact CG1-CD1 4.21Å; V65-F105 HydrophobicContact CG1-CD2 3.93Å; V65-F105 HydrophobicContact CG1-CE1 4.35Å; V65-F105 HydrophobicContact CG1-CE2 4.08Å; V65-F105 HydrophobicContact CG1-CG 3.98Å; V65-F105 HydrophobicContact CG1-CZ 4.28Å; V65-F105 HydrophobicContact CG2-CB 4.06Å; V65-F105 HydrophobicContact CG2-CD1 4.38Å; V65-F105 HydrophobicContact CG2-CG 4.24Å; V65-I154 HydrophobicContact CG2-CD1 3.85Å; V65-I154 HydrophobicContact CG2-CG2 3.87Å; V65-A186 HydrophobicContact CB-CB 4.22Å; V65-A186 HydrophobicContact CG2-CB 4.41Å; V65-Y188 HydrophobicContact CG1-CE2 3.64Å |
| 66 | Y | 79.8 | Confident | 82.8 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 13% | 0.125 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -88 | 12.2 | -179.5 | -53.2 | -48.6 | 0 | 0 | 0 | 113.2 | P30 I32 K33 T63 E64 A186 L187 Y188 | P30-Y66 HydrophobicContact CB-CD1 3.48Å; P30-Y66 VanDerWaalsContact CB-CD1 3.48Å; P30-Y66 HydrophobicContact CB-CE1 3.36Å; P30-Y66 HydrophobicContact CB-CG 4.14Å; P30-Y66 HydrophobicContact CG-CD1 3.6Å; P30-Y66 HydrophobicContact CG-CE1 3.82Å; P30-Y66 HydrophobicContact CG-CG 4.45Å; I32-Y66 HydrophobicContact CG1-CE2 4.27Å; I32-Y66 WeakPolarHBondContact CG1-OH 3.47Å; I32-Y66 PolarHBondContact N-OH 3.47Å; K33-Y66 HydrophobicContact CB-CD2 4.47Å; K33-Y66 HydrophobicContact CG-CD2 4.37Å; K33-Y66 HydrophobicContact CG-CG 4.39Å; T63-Y66 PolarHBondContact O-N 3.43Å; T63-Y66 VanDerWaalsContact O-N 3.07Å; E64-Y66 PolarHBondContact O-N 2.84Å; Y66-A186 HydrophobicContact CE1-CB 4.08Å; Y66-A186 HydrophobicContact CE2-CB 3.92Å; Y66-L187 PolarHBondContact OH-N 3.16Å; Y66-L187 PolarHBondContact OH-O 3.35Å; Y66-Y188 AromaticContact CD1-CE2 3.76Å; Y66-Y188 HydrophobicContact CD1-CE2 3.76Å; Y66-Y188 AromaticContact CD1-CZ 3.88Å; Y66-Y188 AromaticContact CE1-CD2 3.9Å; Y66-Y188 HydrophobicContact CE1-CD2 3.9Å; Y66-Y188 AromaticContact CE1-CE2 3.28Å; Y66-Y188 HydrophobicContact CE1-CE2 3.28Å; Y66-Y188 AromaticContact CE1-CZ 3.79Å |
| 67 | G | 74.9 | Confident | 82.8 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 13.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E64 V65 | E64-G67 PolarHBondContact O-N 2.9Å; V65-G67 VanDerWaalsContact C-N 3.26Å; V65-G67 PolarHBondContact O-N 3.06Å |
| 68 | S | 74.6 | Confident | 82.7 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | trans | -73.2 | 137.2 | 176 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | T63 E70 | T63-S68 VanDerWaalsContact O-CB 3.25Å; T63-S68 WeakPolarHBondContact O-CB 3.32Å; T63-S68 PolarHBondContact O-N 2.86Å; S68-E70 PolarHBondContact O-N 2.94Å; S68-E70 VanDerWaalsContact OG-CB 3.31Å; S68-E70 WeakPolarHBondContact OG-CB 3.08Å; S68-E70 PolarHBondContact OG-N 2.92Å | ||
| 69 | N | 65.7 | Low | 82.8 | Confident | 148 Ų | 148 | 45.2 Ų | 45.2 | 79% | 0.791 | 24% | 0.244 | S | C | * | . | trans | -81.8 | 3 | 171.4 | -64.8 | -45.1 | 0 | 0 | 0 | 113.1 | H71 | N69-H71 PolarHBondContact O-N 2.84Å; N69-H71 VanDerWaalsContact O-N 3.12Å; N69-H71 PolarHBondContact O-ND1 2.91Å | ||
| 70 | E | 68.3 | Low | 82.7 | Confident | 104 Ų | 104 | 45.1 Ų | 45.1 | 49% | 0.486 | 25% | 0.25 | S | C | . | . | trans | -69 | 105 | -178.9 | -171.5 | -173.1 | -166.8 | 0 | 0 | 111.6 | T63 S68 T72 | T63-E70 PolarHBondContact OG1-OE2 3.15Å; S68-E70 PolarHBondContact O-N 2.94Å; S68-E70 VanDerWaalsContact OG-CB 3.31Å; S68-E70 WeakPolarHBondContact OG-CB 3.08Å; S68-E70 PolarHBondContact OG-N 2.92Å; E70-T72 HydrophobicContact CG-CG2 3.98Å; E70-T72 PolarHBondContact O-N 2.83Å | ||
| 71 | H | 59.7 | Low | 82.3 | Confident | 172 Ų | 172 | 47.5 Ų | 47.5 | 80% | 0.796 | 26% | 0.264 | S | S | * | . | trans | -75.8 | 82.4 | -178.7 | -76.8 | 53.1 | 0 | 0 | 0 | 111.5 | N69 S73 | N69-H71 PolarHBondContact O-N 2.84Å; N69-H71 VanDerWaalsContact O-N 3.12Å; N69-H71 PolarHBondContact O-ND1 2.91Å; H71-S73 PolarHBondContact O-N 2.86Å | ||
| 72 | T | 65.6 | Low | 82 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | trans | -75.2 | 20.7 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | E70 G74 Y75 R184 | E70-T72 HydrophobicContact CG-CG2 3.98Å; E70-T72 PolarHBondContact O-N 2.83Å; T72-G74 PolarHBondContact O-N 2.82Å; T72-Y75 WeakPolarHBondContact O-CB 3.4Å; T72-Y75 PolarHBondContact O-N 3.03Å; T72-Y75 VanDerWaalsContact O-N 3.09Å; T72-R184 PolarHBondContact OG1-NH1 2.52Å | ||
| 73 | S | 70.9 | Confident | 81.5 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 128 | -176.1 | -160.8 | 0 | 0 | 0 | 0 | 111.6 | H71 D111 | H71-S73 PolarHBondContact O-N 2.86Å; S73-D111 VanDerWaalsContact OG-CG 3.27Å; S73-D111 PolarHBondContact OG-N 2.86Å; S73-D111 PolarHBondContact OG-OD2 3.24Å |
| 74 | G | 81.2 | Confident | 81.2 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -28.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T72 R109 | T72-G74 PolarHBondContact O-N 2.82Å; G74-R109 WeakPolarHBondContact CA-O 3.39Å; G74-R109 PolarHBondContact N-O 3.26Å; G74-R109 WeakPolarHBondContact O-CD 3.48Å; G74-R109 VanDerWaalsContact O-CG 3.23Å; G74-R109 WeakPolarHBondContact O-CG 3.44Å; G74-R109 PolarHBondContact O-NH1 2.92Å |
| 75 | Y | 90.3 | Very high | 81.3 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | trans | -87.9 | 129.3 | 177.1 | -60.8 | -76.9 | 0 | 0 | 0 | 110.9 | D54 R59 T72 R184 | D54-Y75 HydrophobicContact CB-CD1 3.81Å; D54-Y75 HydrophobicContact CB-CE1 4.01Å; R59-Y75 HydrophobicContact CG-CD1 4.39Å; T72-Y75 WeakPolarHBondContact O-CB 3.4Å; T72-Y75 PolarHBondContact O-N 3.03Å; T72-Y75 VanDerWaalsContact O-N 3.09Å; Y75-R184 VanDerWaalsContact O-CD 3.28Å; Y75-R184 WeakPolarHBondContact O-CD 3.29Å | ||
| 76 | A | 94.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -173.1 | 149.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.1 | D54 F55 R59 C78 R109 C182 R184 | D54-A76 PolarHBondContact O-N 2.93Å; F55-A76 VanDerWaalsContact CA-O 3.26Å; F55-A76 WeakPolarHBondContact CA-O 3.41Å; R59-A76 WeakPolarHBondContact O-CA 3.35Å; A76-C78 PolarHBondContact O-N 2.94Å; A76-C78 PolarHBondContact O-SG 3.29Å; A76-R109 HydrophobicContact CB-CB 4.1Å; A76-R109 HydrophobicContact CB-CG 3.92Å; A76-C182 HydrophobicContact CB-CB 4Å; A76-R184 HydrophobicContact CB-CG 3.76Å | ||
| 77 | W | 96.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -63.6 | 129.6 | 169.6 | 170.2 | 67 | 0 | 0 | 0 | 110.4 | S47 F55 A60 P79 E89 W90 I91 P172 C182 L183 | S47-W77 PolarHBondContact O-NE1 3.28Å; F55-W77 WeakPolarHBondContact O-CA 3.38Å; A60-W77 HydrophobicContact CB-CB 3.83Å; W77-P79 HydrophobicContact CH2-CB 4.12Å; W77-P79 HydrophobicContact CH2-CG 4.11Å; W77-P79 HydrophobicContact CZ2-CB 3.73Å; W77-P79 HydrophobicContact CZ2-CG 4.14Å; W77-E89 HydrophobicContact CH2-CB 4.44Å; W77-W90 VanDerWaalsContact CH2-C 3.43Å; W77-W90 WeakPolarHBondContact CZ2-O 3.48Å; W77-I91 HydrophobicContact CB-CD1 3.65Å; W77-I91 HydrophobicContact CD2-CB 3.83Å; W77-I91 HydrophobicContact CD2-CD1 3.96Å; W77-I91 HydrophobicContact CD2-CG1 4.43Å; W77-I91 HydrophobicContact CD2-CG2 4.36Å; W77-I91 HydrophobicContact CE3-CB 3.62Å; W77-I91 HydrophobicContact CE3-CD1 4.18Å; W77-I91 HydrophobicContact CE3-CG2 3.65Å; W77-I91 HydrophobicContact CG-CB 4.48Å; W77-I91 HydrophobicContact CG-CD1 3.72Å; W77-I91 HydrophobicContact CH2-CB 4.14Å; W77-I91 HydrophobicContact CH2-CG2 4.4Å; W77-I91 HydrophobicContact CZ2-CB 4.33Å; W77-I91 HydrophobicContact CZ3-CB 3.78Å; W77-I91 HydrophobicContact CZ3-CG2 3.67Å; W77-P172 HydrophobicContact CH2-CG 3.93Å; W77-P172 HydrophobicContact CZ3-CG 3.73Å; W77-C182 CarbonylContact O-C 3.3Å; W77-C182 WeakPolarHBondContact O-CA 3.45Å; W77-L183 HydrophobicContact CE3-CB 4.15Å; W77-L183 HydrophobicContact CE3-CD2 4.39Å; W77-L183 PolarHBondContact N-O 3.19Å; W77-L183 PolarHBondContact O-N 2.94Å |
| 78 | C | 95.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -128.4 | 118 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 108.6 | W49 F55 A76 C182 | W49-C78 HydrophobicContact CB-CB 4.02Å; W49-C78 WeakPolarHBondContact CB-O 3.31Å; W49-C78 HydrophobicContact CE3-CB 4.46Å; W49-C78 PolarHBondContact N-O 3.06Å; F55-C78 HydrophobicContact CB-CB 4.02Å; F55-C78 HydrophobicContact CD1-CB 4.34Å; F55-C78 WeakPolarHBondContact CD1-SG 3.36Å; F55-C78 HydrophobicContact CD2-CB 4.41Å; F55-C78 HydrophobicContact CG-CB 3.99Å; A76-C78 PolarHBondContact O-N 2.94Å; A76-C78 PolarHBondContact O-SG 3.29Å; C78-C182 HydrophobicContact CB-CB 4.13Å; C78-C182 WeakPolarHBondContact CB-SG 3.17Å; C78-C182 WeakPolarHBondContact SG-CB 3.14Å; C78-C182 CovalentContact SG-SG 2.04Å; C78-C182 PolarHBondContact SG-SG 2.85Å | ||
| 79 | P | 95.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -65.8 | 155 | 174.2 | 24.9 | -32.8 | 0 | 0 | 0 | 112.2 | W77 E89 Q180 V181 | W77-P79 HydrophobicContact CH2-CB 4.12Å; W77-P79 HydrophobicContact CH2-CG 4.11Å; W77-P79 HydrophobicContact CZ2-CB 3.73Å; W77-P79 HydrophobicContact CZ2-CG 4.14Å; P79-E89 HydrophobicContact CB-CB 3.84Å; P79-E89 VanDerWaalsContact CB-CD 3.43Å; P79-E89 HydrophobicContact CB-CG 3.63Å; P79-E89 HydrophobicContact CG-CB 4.36Å; P79-E89 HydrophobicContact CG-CG 4.35Å; P79-Q180 PolarHBondContact O-NE2 2.9Å; P79-V181 HydrophobicContact CG-CG2 3.62Å | ||
| 80 | N | 93.1 | Very high | 85.4 | Confident | 83 Ų | 83 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -81.4 | -19 | -177.8 | -163 | 53.8 | 0 | 0 | 0 | 113.6 | S47 W49 K50 | S47-N80 WeakPolarHBondContact OG-CB 3.02Å; S47-N80 PolarHBondContact OG-N 2.85Å; W49-N80 WeakPolarHBondContact CA-OD1 3.47Å; K50-N80 PolarHBondContact N-OD1 2.85Å; K50-N80 VanDerWaalsContact N-OD1 3.09Å |
| 81 | T | 87.7 | Confident | 86.8 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -106.9 | 156.7 | 169.8 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | E89 | T81-E89 VanDerWaalsContact CB-OE1 3.28Å; T81-E89 WeakPolarHBondContact CB-OE1 3.48Å; T81-E89 WeakPolarHBondContact CG2-OE1 3.26Å; T81-E89 PolarHBondContact N-OE1 2.89Å; T81-E89 WeakPolarHBondContact OG1-CG 3.37Å; T81-E89 PolarHBondContact OG1-OE1 3.05Å |
| 82 | H | 86.6 | Confident | 88.6 | Confident | 93 Ų | 93 | 39.3 Ų | 39.3 | 43% | 0.431 | 21% | 0.208 | S | C | . | . | trans | -71.8 | 148.2 | 176.7 | -67 | 72.6 | 0 | 0 | 0 | 110.3 | R178 | H82-R178 HydrophobicContact CB-CB 4.06Å; H82-R178 HydrophobicContact CB-CG 4.38Å; H82-R178 PolarHBondContact CD2-O 3.2Å | ||
| 83 | V | 82.9 | Confident | 90.2 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | trans | -71.2 | 138.4 | -178.6 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | P172 V181 | V83-P172 HydrophobicContact CG1-CB 4.19Å; V83-P172 WeakPolarHBondContact CG1-O 3.34Å; V83-P172 HydrophobicContact CG2-CB 3.57Å; V83-V181 HydrophobicContact CB-CG1 4.09Å; V83-V181 HydrophobicContact CG2-CB 4.05Å; V83-V181 HydrophobicContact CG2-CG1 3.42Å; V83-V181 VanDerWaalsContact CG2-CG1 3.42Å; V83-V181 HydrophobicContact CG2-CG2 3.42Å; V83-V181 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 84 | E | 79.6 | Confident | 91.4 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | trans | -148.9 | 166.7 | -177.8 | -63.3 | -176.4 | 143.9 | 0 | 0 | 109.8 | G86 R88 R178 | E84-G86 PolarHBondContact O-N 2.77Å; E84-R88 IonicContact OE2-CZ 3.31Å; E84-R88 IonicContact OE2-NE 3.19Å; E84-R88 IonicContact OE2-NH2 2.69Å; E84-R88 PolarHBondContact OE2-NH2 3.25Å; E84-R178 HydrophobicContact CG-CG 4.32Å; E84-R178 IonicContact OE1-CZ 3.15Å; E84-R178 IonicContact OE1-NE 2.75Å; E84-R178 PolarHBondContact OE1-NE 2.99Å; E84-R178 IonicContact OE1-NH2 2.7Å; E84-R178 PolarHBondContact OE1-NH2 3.1Å | ||
| 85 | D | 82.6 | Confident | 92.2 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16 | -179.7 | -72.8 | -41.4 | 0 | 0 | 0 | 115.1 | L87 Y173 H175 | D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 2.88Å; D85-Y173 HydrophobicContact CB-CE2 4.16Å; D85-Y173 WeakPolarHBondContact OD1-CE2 3.09Å; D85-Y173 PolarHBondContact OD1-OH 2.98Å; D85-H175 VanDerWaalsContact OD1-CA 3.28Å; D85-H175 WeakPolarHBondContact OD1-CA 2.97Å; D85-H175 IonicContact OD1-CG 3.92Å; D85-H175 IonicContact OD1-ND1 3.55Å; D85-H175 IonicContact OD2-CE1 3.76Å; D85-H175 IonicContact OD2-CG 3.83Å; D85-H175 IonicContact OD2-ND1 2.84Å; D85-H175 PolarHBondContact OD2-ND1 2.86Å |
| 86 | G | 85.8 | Confident | 92.3 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 57% | 0.567 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | E84 R88 | E84-G86 PolarHBondContact O-N 2.77Å; G86-R88 PolarHBondContact O-N 2.92Å; G86-R88 VanDerWaalsContact O-N 3.1Å |
| 87 | L | 91.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | trans | 47.4 | 40.9 | 177 | -54.3 | -177.7 | 0 | 0 | 0 | 114.4 | D85 V122 Y171 Y173 | D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 2.88Å; L87-V122 HydrophobicContact CD1-CB 4.18Å; L87-V122 HydrophobicContact CD1-CG1 4.14Å; L87-V122 HydrophobicContact CD1-CG2 4.25Å; L87-V122 HydrophobicContact CD2-CB 3.94Å; L87-V122 HydrophobicContact CD2-CG2 3.8Å; L87-Y171 HydrophobicContact CB-CD1 3.88Å; L87-Y171 HydrophobicContact CB-CE1 4.49Å; L87-Y171 HydrophobicContact CB-CG 4.44Å; L87-Y171 WeakPolarHBondContact O-CD1 3.48Å; L87-Y171 VanDerWaalsContact O-CE1 3.26Å; L87-Y171 WeakPolarHBondContact O-CE1 3.22Å; L87-Y173 HydrophobicContact CD2-CD2 3.9Å | ||
| 88 | R | 92.5 | Very high | 92.3 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | trans | -81 | -36.8 | -175.7 | -63 | -169.1 | -74.6 | 143.4 | -7.9 | 113.2 | E84 G86 | E84-R88 IonicContact OE2-CZ 3.31Å; E84-R88 IonicContact OE2-NE 3.19Å; E84-R88 IonicContact OE2-NH2 2.69Å; E84-R88 PolarHBondContact OE2-NH2 3.25Å; G86-R88 PolarHBondContact O-N 2.92Å; G86-R88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | E | 95.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | trans | -94.1 | 141.6 | -180 | -60.1 | -74.4 | -170.1 | 0 | 0 | 110.9 | S46 S47 W77 P79 T81 Y171 P172 | S46-E89 WeakPolarHBondContact CB-OE2 3.16Å; S46-E89 VanDerWaalsContact OG-CA 3.27Å; S46-E89 WeakPolarHBondContact OG-CA 3.37Å; S46-E89 PolarHBondContact OG-OE2 3.06Å; S47-E89 PolarHBondContact OG-OE1 2.86Å; S47-E89 PolarHBondContact OG-OE2 2.76Å; W77-E89 HydrophobicContact CH2-CB 4.44Å; P79-E89 HydrophobicContact CB-CB 3.84Å; P79-E89 VanDerWaalsContact CB-CD 3.43Å; P79-E89 HydrophobicContact CB-CG 3.63Å; P79-E89 HydrophobicContact CG-CB 4.36Å; P79-E89 HydrophobicContact CG-CG 4.35Å; T81-E89 VanDerWaalsContact CB-OE1 3.28Å; T81-E89 WeakPolarHBondContact CB-OE1 3.48Å; T81-E89 WeakPolarHBondContact CG2-OE1 3.26Å; T81-E89 PolarHBondContact N-OE1 2.89Å; T81-E89 WeakPolarHBondContact OG1-CG 3.37Å; T81-E89 PolarHBondContact OG1-OE1 3.05Å; E89-Y171 VanDerWaalsContact O-CD1 3.3Å; E89-Y171 WeakPolarHBondContact O-CD1 3.38Å; E89-P172 WeakPolarHBondContact O-CD 3.07Å | ||
| 90 | W | 96.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | trans | -151.6 | 150.4 | 177.1 | 53.5 | -91.8 | 0 | 0 | 0 | 111.8 | S45 S46 W77 Q92 R169 I170 Y171 | S45-W90 CarbonylContact C-O 3.5Å; S45-W90 VanDerWaalsContact CA-CZ3 3.49Å; S45-W90 VanDerWaalsContact CA-O 3.23Å; S45-W90 WeakPolarHBondContact CA-O 3.44Å; S45-W90 WeakPolarHBondContact CB-O 3.27Å; S46-W90 PolarHBondContact N-O 2.69Å; S46-W90 PolarHBondContact OG-N 2.99Å; S46-W90 PolarHBondContact OG-O 3.33Å; W77-W90 VanDerWaalsContact CH2-C 3.43Å; W77-W90 WeakPolarHBondContact CZ2-O 3.48Å; W90-Q92 HydrophobicContact CE3-CB 3.78Å; W90-Q92 HydrophobicContact CZ3-CB 3.56Å; W90-R169 HydrophobicContact CD2-CG 4.43Å; W90-R169 HydrophobicContact CE3-CG 4.07Å; W90-I170 WeakPolarHBondContact CA-O 3.28Å; W90-Y171 HydrophobicContact CB-CD1 3.78Å; W90-Y171 HydrophobicContact CB-CD2 4.33Å; W90-Y171 HydrophobicContact CB-CE1 3.67Å; W90-Y171 HydrophobicContact CB-CE2 4.2Å; W90-Y171 HydrophobicContact CB-CG 4.11Å; W90-Y171 AromaticContact CD1-CE1 3.69Å; W90-Y171 AromaticContact CG-CE1 3.97Å; W90-Y171 HydrophobicContact CG-CE1 3.97Å | ||
| 91 | I | 98.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.1 | 159.3 | -176.5 | 157.9 | 0 | 0 | 0 | 109.2 | P57 A60 W77 R169 I170 L183 F185 | P57-I91 HydrophobicContact CB-CD1 4.05Å; P57-I91 HydrophobicContact CB-CG1 4.48Å; P57-I91 WeakPolarHBondContact O-CD1 3.49Å; A60-I91 HydrophobicContact CB-CD1 3.52Å; W77-I91 HydrophobicContact CB-CD1 3.65Å; W77-I91 HydrophobicContact CD2-CB 3.83Å; W77-I91 HydrophobicContact CD2-CD1 3.96Å; W77-I91 HydrophobicContact CD2-CG1 4.43Å; W77-I91 HydrophobicContact CD2-CG2 4.36Å; W77-I91 HydrophobicContact CE3-CB 3.62Å; W77-I91 HydrophobicContact CE3-CD1 4.18Å; W77-I91 HydrophobicContact CE3-CG2 3.65Å; W77-I91 HydrophobicContact CG-CB 4.48Å; W77-I91 HydrophobicContact CG-CD1 3.72Å; W77-I91 HydrophobicContact CH2-CB 4.14Å; W77-I91 HydrophobicContact CH2-CG2 4.4Å; W77-I91 HydrophobicContact CZ2-CB 4.33Å; W77-I91 HydrophobicContact CZ3-CB 3.78Å; W77-I91 HydrophobicContact CZ3-CG2 3.67Å; I91-R169 CarbonylContact O-C 3.58Å; I91-R169 VanDerWaalsContact O-CA 3.27Å; I91-R169 WeakPolarHBondContact O-CA 3.4Å; I91-I170 HydrophobicContact CG2-CB 4.01Å; I91-I170 PolarHBondContact N-O 3.18Å; I91-I170 VanDerWaalsContact N-O 3.09Å; I91-I170 PolarHBondContact O-N 2.77Å; I91-L183 HydrophobicContact CG2-CD2 3.95Å; I91-F185 HydrophobicContact CD1-CE1 3.89Å; I91-F185 HydrophobicContact CG1-CE1 4.16Å; I91-F185 HydrophobicContact CG2-CE1 4.16Å |
| 92 | Q | 98.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.6 | -178.8 | 179.2 | 174.8 | -55.5 | 0 | 0 | 110.4 | F43 S44 W90 E94 I168 R169 | F43-Q92 WeakPolarHBondContact CA-O 3.44Å; S44-Q92 PolarHBondContact N-O 2.73Å; S44-Q92 VanDerWaalsContact N-O 3.16Å; S44-Q92 PolarHBondContact O-N 2.94Å; W90-Q92 HydrophobicContact CE3-CB 3.78Å; W90-Q92 HydrophobicContact CZ3-CB 3.56Å; Q92-E94 PolarHBondContact NE2-OE2 2.88Å; Q92-I168 CarbonylContact C-O 3.39Å; Q92-I168 VanDerWaalsContact CA-O 3.24Å; Q92-I168 WeakPolarHBondContact CA-O 3.47Å; Q92-R169 HydrophobicContact CB-CG 3.85Å; Q92-R169 HydrophobicContact CG-CG 4.13Å; Q92-R169 VanDerWaalsContact OE1-CZ 3.24Å |
| 93 | A | 98.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | F38 S42 R167 I168 F185 L187 | F38-A93 HydrophobicContact CE1-CB 4.4Å; F38-A93 HydrophobicContact CZ-CB 3.71Å; S42-A93 WeakPolarHBondContact O-CA 3.48Å; A93-R167 WeakPolarHBondContact O-CA 3.26Å; A93-I168 HydrophobicContact CB-CG2 3.74Å; A93-I168 PolarHBondContact N-O 2.81Å; A93-I168 PolarHBondContact O-N 2.81Å; A93-F185 HydrophobicContact CB-CE2 4.37Å; A93-F185 HydrophobicContact CB-CZ 4.21Å; A93-L187 HydrophobicContact CB-CD1 4.35Å |
| 94 | E | 97.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 34.9 Ų | 34.9 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.7 | -174.3 | -178.2 | 154.1 | 164 | 0 | 0 | 112.1 | F38 S42 Q92 R167 | F38-E94 WeakPolarHBondContact CE2-O 3.36Å; S42-E94 WeakPolarHBondContact CB-O 3.34Å; S42-E94 PolarHBondContact O-N 2.89Å; S42-E94 PolarHBondContact OG-O 3.31Å; Q92-E94 PolarHBondContact NE2-OE2 2.88Å; E94-R167 HydrophobicContact CB-CG 4.29Å; E94-R167 HydrophobicContact CG-CG 3.92Å; E94-R167 IonicContact OE1-CZ 3.56Å; E94-R167 VanDerWaalsContact OE1-CZ 3.31Å; E94-R167 IonicContact OE1-NE 3.69Å; E94-R167 PolarHBondContact OE1-NE 3.43Å; E94-R167 IonicContact OE1-NH2 3.64Å; E94-R167 PolarHBondContact OE1-NH2 2.68Å; E94-R167 WeakPolarHBondContact OE2-CD 3.34Å; E94-R167 IonicContact OE2-CZ 2.72Å; E94-R167 IonicContact OE2-NE 2.69Å; E94-R167 PolarHBondContact OE2-NE 2.73Å; E94-R167 IonicContact OE2-NH2 3.58Å |
| 95 | F | 96.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 34 Ų | 34 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.5 | -180 | -57.5 | -79.8 | 0 | 0 | 0 | 110.6 | L31 I32 F38 H97 V99 I101 K166 I168 L187 | L31-F95 HydrophobicContact CB-CE1 3.97Å; L31-F95 HydrophobicContact CB-CZ 4.18Å; L31-F95 HydrophobicContact CD1-CZ 4.49Å; I32-F95 HydrophobicContact CG2-CE1 4.04Å; I32-F95 HydrophobicContact CG2-CZ 4.13Å; F38-F95 AromaticContact CD2-CD1 3.9Å; F38-F95 HydrophobicContact CD2-CD1 3.9Å; F38-F95 AromaticContact CD2-CE1 3.81Å; F38-F95 HydrophobicContact CD2-CE1 3.81Å; F38-F95 AromaticContact CE2-CD1 3.6Å; F38-F95 HydrophobicContact CE2-CD1 3.6Å; F38-F95 AromaticContact CE2-CE1 3.53Å; F38-F95 HydrophobicContact CE2-CE1 3.53Å; F38-F95 HydrophobicContact CE2-CG 4.25Å; F38-F95 HydrophobicContact CE2-CZ 4.15Å; F95-H97 VanDerWaalsContact CB-O 3.29Å; F95-H97 WeakPolarHBondContact CB-O 3.3Å; F95-H97 PolarHBondContact O-N 3.18Å; F95-V99 HydrophobicContact CD1-CG1 4.27Å; F95-V99 HydrophobicContact CD1-CG2 4.23Å; F95-V99 HydrophobicContact CD2-CG2 3.54Å; F95-V99 HydrophobicContact CE1-CG2 4.35Å; F95-V99 HydrophobicContact CE2-CG2 3.67Å; F95-V99 HydrophobicContact CG-CG1 4.3Å; F95-V99 HydrophobicContact CG-CG2 3.84Å; F95-V99 HydrophobicContact CZ-CG2 4.09Å; F95-I101 HydrophobicContact CE2-CD1 4.09Å; F95-K166 PolarHBondContact N-O 2.75Å; F95-K166 VanDerWaalsContact O-CG 3.31Å; F95-K166 WeakPolarHBondContact O-CG 3.12Å; F95-I168 HydrophobicContact CE2-CG2 3.98Å; F95-L187 HydrophobicContact CE2-CD1 4.34Å; F95-L187 HydrophobicContact CZ-CD1 3.86Å |
| 96 | S | 93.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 30.6 Ų | 30.6 | 74% | 0.741 | 17% | 0.165 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | -15.8 | 176.1 | 54 | 0 | 0 | 0 | 0 | 113.7 | ||
| 97 | H | 93.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 28 Ų | 28 | 33% | 0.329 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 170 | -174.2 | 55.7 | -78.6 | 0 | 0 | 0 | 109.7 | F95 N191 | F95-H97 VanDerWaalsContact CB-O 3.29Å; F95-H97 WeakPolarHBondContact CB-O 3.3Å; F95-H97 PolarHBondContact O-N 3.18Å; H97-N191 VanDerWaalsContact NE2-CG 3.26Å; H97-N191 PolarHBondContact NE2-ND2 3.2Å; H97-N191 PolarHBondContact NE2-OD1 2.94Å |
| 98 | L | 96.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136 | 174.9 | -68.3 | 172.7 | 0 | 0 | 0 | 111.6 | R127 I164 A165 K166 F192 I197 D291 | L98-R127 HydrophobicContact CD2-CB 4.21Å; L98-R127 HydrophobicContact CD2-CG 4.41Å; L98-I164 HydrophobicContact CB-CG2 4.41Å; L98-I164 HydrophobicContact CD1-CG2 4.34Å; L98-I164 HydrophobicContact CD2-CG2 4.19Å; L98-A165 WeakPolarHBondContact CA-O 3.49Å; L98-K166 HydrophobicContact CD2-CB 4.08Å; L98-F192 HydrophobicContact CB-CB 4Å; L98-F192 HydrophobicContact CB-CD1 4.2Å; L98-F192 HydrophobicContact CD1-CD1 4.06Å; L98-F192 PolarHBondContact O-N 2.86Å; L98-I197 HydrophobicContact CD1-CG2 3.73Å; L98-I197 HydrophobicContact CD2-CG2 4.48Å; L98-D291 HydrophobicContact CD1-CB 4.08Å |
| 99 | V | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.6 | 172 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | L31 F95 I101 I164 A165 C190 | L31-V99 HydrophobicContact CD1-CB 4.32Å; L31-V99 HydrophobicContact CD1-CG2 4.23Å; L31-V99 HydrophobicContact CD2-CB 4.38Å; L31-V99 HydrophobicContact CD2-CG1 4.21Å; F95-V99 HydrophobicContact CD1-CG1 4.27Å; F95-V99 HydrophobicContact CD1-CG2 4.23Å; F95-V99 HydrophobicContact CD2-CG2 3.54Å; F95-V99 HydrophobicContact CE1-CG2 4.35Å; F95-V99 HydrophobicContact CE2-CG2 3.67Å; F95-V99 HydrophobicContact CG-CG1 4.3Å; F95-V99 HydrophobicContact CG-CG2 3.84Å; F95-V99 HydrophobicContact CZ-CG2 4.09Å; V99-I101 HydrophobicContact CG2-CD1 4.09Å; V99-I101 HydrophobicContact CG2-CG1 3.91Å; V99-I164 WeakPolarHBondContact O-CA 3.46Å; V99-A165 WeakPolarHBondContact CG2-O 3.32Å; V99-A165 PolarHBondContact N-O 2.82Å; V99-A165 PolarHBondContact O-N 2.85Å; V99-C190 CarbonylContact C-O 3.49Å; V99-C190 WeakPolarHBondContact CA-O 3.5Å |
| 100 | I | 95 | Very high | 94.1 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 135.7 | 158.9 | -68.4 | 165.1 | 0 | 0 | 0 | 107.2 | V162 V163 I164 G189 C190 F192 N252 | I100-V162 HydrophobicContact CG1-CG2 4.43Å; I100-V162 HydrophobicContact CG2-CG2 4.12Å; I100-V163 CarbonylContact C-O 3.47Å; I100-V163 WeakPolarHBondContact CA-O 3.45Å; I100-I164 HydrophobicContact CG1-CG1 3.8Å; I100-G189 CarbonylContact O-C 3.54Å; I100-G189 WeakPolarHBondContact O-CA 3.38Å; I100-C190 PolarHBondContact N-O 3.19Å; I100-C190 PolarHBondContact O-N 2.69Å; I100-F192 HydrophobicContact CD1-CD2 3.75Å; I100-F192 HydrophobicContact CD1-CE2 4.37Å; I100-F192 HydrophobicContact CG1-CB 4.31Å; I100-F192 HydrophobicContact CG1-CD2 3.83Å; I100-F192 HydrophobicContact CG1-CG 4.39Å; I100-N252 HydrophobicContact CD1-CB 3.64Å; I100-N252 WeakPolarHBondContact CD1-OD1 3.48Å |
| 101 | I | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.2 | 174.7 | -57 | 175.3 | 0 | 0 | 0 | 107.6 | L31 F95 V99 I104 L159 V163 A165 I168 L187 | L31-I101 HydrophobicContact CD1-CG1 3.83Å; F95-I101 HydrophobicContact CE2-CD1 4.09Å; V99-I101 HydrophobicContact CG2-CD1 4.09Å; V99-I101 HydrophobicContact CG2-CG1 3.91Å; I101-I104 HydrophobicContact CG2-CG1 4.47Å; I101-L159 HydrophobicContact CG2-CD1 4.19Å; I101-V163 HydrophobicContact CB-CB 4.36Å; I101-V163 HydrophobicContact CB-CG1 4.42Å; I101-V163 PolarHBondContact N-O 2.94Å; I101-A165 HydrophobicContact CD1-CB 4.24Å; I101-I168 HydrophobicContact CD1-CB 4.17Å; I101-I168 HydrophobicContact CD1-CD1 3.49Å; I101-I168 VanDerWaalsContact CD1-CD1 3.49Å; I101-I168 HydrophobicContact CD1-CG1 4.43Å; I101-I168 HydrophobicContact CD1-CG2 4.18Å; I101-I168 HydrophobicContact CG2-CD1 4.31Å; I101-L187 HydrophobicContact CG2-CD2 4.26Å |
| 102 | S | 91.3 | Very high | 91 | Very high | 29 Ų | 29 | 24.2 Ų | 24.2 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -31.5 | -172.2 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | C27 L159 Y188 | C27-S102 PolarHBondContact O-OG 2.83Å; S102-L159 PolarHBondContact O-N 2.85Å; S102-Y188 PolarHBondContact N-O 3.13Å; S102-Y188 PolarHBondContact OG-O 3.17Å |
| 103 | V | 93 | Very high | 90.1 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 137.8 | 179.8 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | F105 R156 T158 Y188 | V103-F105 HydrophobicContact CB-CE2 4.46Å; V103-F105 HydrophobicContact CG1-CD2 3.85Å; V103-F105 HydrophobicContact CG1-CE2 3.5Å; V103-F105 HydrophobicContact CG1-CZ 4.04Å; V103-R156 HydrophobicContact CG1-CG 3.61Å; V103-T158 HydrophobicContact CG2-CG2 4.23Å; V103-Y188 PolarHBondContact N-O 2.84Å; V103-Y188 PolarHBondContact O-N 3Å |
| 104 | I | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.2 | 170.8 | -52.3 | -176 | 0 | 0 | 0 | 108.1 | I101 T106 F121 L123 T157 L159 I168 I170 L187 | I101-I104 HydrophobicContact CG2-CG1 4.47Å; I104-T106 HydrophobicContact CG2-CG2 4.01Å; I104-F121 HydrophobicContact CD1-CE2 4.01Å; I104-F121 HydrophobicContact CD1-CZ 4.32Å; I104-L123 HydrophobicContact CD1-CD1 3.78Å; I104-L123 HydrophobicContact CD1-CD2 3.73Å; I104-L123 HydrophobicContact CD1-CG 4.39Å; I104-T157 PolarHBondContact N-O 2.84Å; I104-T157 PolarHBondContact O-N 2.84Å; I104-L159 HydrophobicContact CD1-CD1 4.35Å; I104-L159 HydrophobicContact CD1-CD2 4.28Å; I104-L159 HydrophobicContact CG1-CD1 4.46Å; I104-I168 HydrophobicContact CD1-CD1 4.45Å; I104-I170 HydrophobicContact CG2-CD1 4.47Å; I104-L187 HydrophobicContact CB-CD2 4.3Å; I104-L187 HydrophobicContact CD1-CD2 4.25Å; I104-L187 HydrophobicContact CG1-CD2 3.78Å; I104-L187 HydrophobicContact CG2-CD2 4.05Å |
| 105 | F | 95.7 | Very high | 88.9 | Confident | 38 Ų | 38 | 37 Ų | 37 | 17% | 0.167 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 143.5 | 166.6 | -67.2 | -95.7 | 0 | 0 | 0 | 109.4 | L62 V65 V103 I154 A155 R156 F185 A186 Y188 | L62-F105 HydrophobicContact CD2-CB 4.43Å; V65-F105 HydrophobicContact CG1-CD1 4.21Å; V65-F105 HydrophobicContact CG1-CD2 3.93Å; V65-F105 HydrophobicContact CG1-CE1 4.35Å; V65-F105 HydrophobicContact CG1-CE2 4.08Å; V65-F105 HydrophobicContact CG1-CG 3.98Å; V65-F105 HydrophobicContact CG1-CZ 4.28Å; V65-F105 HydrophobicContact CG2-CB 4.06Å; V65-F105 HydrophobicContact CG2-CD1 4.38Å; V65-F105 HydrophobicContact CG2-CG 4.24Å; V103-F105 HydrophobicContact CB-CE2 4.46Å; V103-F105 HydrophobicContact CG1-CD2 3.85Å; V103-F105 HydrophobicContact CG1-CE2 3.5Å; V103-F105 HydrophobicContact CG1-CZ 4.04Å; F105-I154 HydrophobicContact CB-CG2 4.05Å; F105-I154 HydrophobicContact CD1-CG2 3.86Å; F105-I154 HydrophobicContact CG-CG2 4.44Å; F105-A155 CarbonylContact C-O 3.47Å; F105-A155 WeakPolarHBondContact CA-O 3.29Å; F105-R156 HydrophobicContact CD1-CB 3.78Å; F105-R156 HydrophobicContact CD1-CG 3.99Å; F105-R156 HydrophobicContact CE1-CB 3.66Å; F105-R156 HydrophobicContact CE1-CG 3.59Å; F105-R156 HydrophobicContact CE2-CG 4.46Å; F105-R156 HydrophobicContact CZ-CB 4.43Å; F105-R156 HydrophobicContact CZ-CG 3.86Å; F105-F185 CarbonylContact O-C 3.45Å; F105-F185 WeakPolarHBondContact O-CA 3.36Å; F105-F185 WeakPolarHBondContact O-CB 3.48Å; F105-A186 HydrophobicContact CB-CB 4.19Å; F105-A186 PolarHBondContact N-O 3.24Å; F105-A186 PolarHBondContact O-N 3.38Å; F105-Y188 AromaticContact CD2-CD2 3.6Å; F105-Y188 HydrophobicContact CD2-CD2 3.6Å; F105-Y188 AromaticContact CD2-CE2 3.81Å; F105-Y188 HydrophobicContact CD2-CE2 3.81Å; F105-Y188 HydrophobicContact CD2-CG 4.49Å; F105-Y188 AromaticContact CE2-CD2 3.49Å; F105-Y188 HydrophobicContact CE2-CD2 3.49Å; F105-Y188 VanDerWaalsContact CE2-CD2 3.49Å; F105-Y188 AromaticContact CE2-CE2 3.6Å; F105-Y188 HydrophobicContact CE2-CE2 3.6Å; F105-Y188 HydrophobicContact CE2-CG 4.06Å |
| 106 | T | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.8 | -177 | 52 | 0 | 0 | 0 | 0 | 111 | I104 M118 N148 I154 A155 L183 R184 F185 | I104-T106 HydrophobicContact CG2-CG2 4.01Å; T106-M118 HydrophobicContact CG2-CE 3.98Å; T106-N148 PolarHBondContact O-ND2 3Å; T106-N148 PolarHBondContact OG1-OD1 3.08Å; T106-I154 CarbonylContact O-C 3.46Å; T106-I154 WeakPolarHBondContact O-CA 3.46Å; T106-A155 PolarHBondContact N-O 2.8Å; T106-A155 PolarHBondContact O-N 3.17Å; T106-A155 PolarHBondContact OG1-O 3.15Å; T106-L183 HydrophobicContact CG2-CD1 3.94Å; T106-R184 CarbonylContact C-O 3.46Å; T106-R184 WeakPolarHBondContact CA-O 3.33Å; T106-F185 HydrophobicContact CG2-CB 4.3Å |
| 107 | A | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 157.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L62 N148 I154 R184 | L62-A107 HydrophobicContact CD1-CB 3.89Å; L62-A107 HydrophobicContact CD2-CB 3.89Å; A107-N148 WeakPolarHBondContact CA-ND2 3.17Å; A107-I154 HydrophobicContact CB-CG1 4.28Å; A107-R184 HydrophobicContact CB-CB 4.38Å; A107-R184 PolarHBondContact N-O 3.37Å; A107-R184 PolarHBondContact O-N 2.95Å |
| 108 | G | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -79.3 | -167.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G110 E116 P151 R184 | G108-G110 VanDerWaalsContact C-N 3.33Å; G108-G110 PolarHBondContact O-N 3.11Å; G108-E116 WeakPolarHBondContact CA-O 3.4Å; G108-P151 CarbonylContact C-O 3.27Å; G108-P151 VanDerWaalsContact C-O 3.3Å; G108-P151 WeakPolarHBondContact CA-O 3.32Å; G108-P151 PolarHBondContact N-O 3.06Å; G108-R184 PolarHBondContact O-NE 2.88Å; G108-R184 PolarHBondContact O-NH2 3.29Å | ||
| 109 | R | 89.7 | Confident | 88.4 | Confident | 49 Ų | 49 | 32.5 Ų | 32.5 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -71.7 | -14.8 | -170.3 | -168.4 | 168.3 | 69.4 | 82.9 | -1.3 | 116 | G74 A76 V114 E116 C182 | G74-R109 WeakPolarHBondContact CA-O 3.39Å; G74-R109 PolarHBondContact N-O 3.26Å; G74-R109 WeakPolarHBondContact O-CD 3.48Å; G74-R109 VanDerWaalsContact O-CG 3.23Å; G74-R109 WeakPolarHBondContact O-CG 3.44Å; G74-R109 PolarHBondContact O-NH1 2.92Å; A76-R109 HydrophobicContact CB-CB 4.1Å; A76-R109 HydrophobicContact CB-CG 3.92Å; R109-V114 HydrophobicContact CB-CG2 4.11Å; R109-E116 HydrophobicContact CB-CB 4.5Å; R109-E116 IonicContact CZ-OE2 3.46Å; R109-E116 PolarHBondContact N-O 3.14Å; R109-E116 VanDerWaalsContact N-O 3.12Å; R109-E116 IonicContact NE-OE2 2.65Å; R109-E116 PolarHBondContact NE-OE2 3.29Å; R109-E116 IonicContact NH2-OE2 3.64Å; R109-E116 PolarHBondContact NH2-OE2 2.93Å; R109-C182 HydrophobicContact CB-CB 3.86Å; R109-C182 HydrophobicContact CG-CB 4.41Å |
| 110 | G | 75 | Confident | 88.3 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 166.3 | -168.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | G108 G112 P151 R152 | G108-G110 VanDerWaalsContact C-N 3.33Å; G108-G110 PolarHBondContact O-N 3.11Å; G110-G112 PolarHBondContact O-N 3.37Å; G110-P151 CarbonylContact O-C 3.58Å; G110-P151 VanDerWaalsContact O-O 3.09Å; G110-R152 WeakPolarHBondContact O-CA 3.48Å |
| 111 | D | 66.4 | Low | 88.4 | Confident | 66 Ų | 66 | 34.2 Ų | 34.2 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -47.3 | -5.2 | -170 | 54.5 | 46.5 | 0 | 0 | 0 | 119.8 | S73 N113 R152 | S73-D111 VanDerWaalsContact OG-CG 3.27Å; S73-D111 PolarHBondContact OG-N 2.86Å; S73-D111 PolarHBondContact OG-OD2 3.24Å; D111-N113 WeakPolarHBondContact OD1-CB 3.32Å; D111-N113 PolarHBondContact OD1-N 3.34Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å; D111-R152 VanDerWaalsContact O-CD 3.28Å; D111-R152 WeakPolarHBondContact O-CD 3.26Å; D111-R152 PolarHBondContact O-NH1 2.84Å |
| 112 | G | 64.2 | Low | 88.5 | Confident | 42 Ų | 42 | 34.2 Ų | 34.2 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 111.3 | -8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | G110 V114 | G110-G112 PolarHBondContact O-N 3.37Å; G112-V114 PolarHBondContact O-N 3.22Å |
| 113 | N | 77.6 | Confident | 88.8 | Confident | 147 Ų | 147 | 32.9 Ų | 32.9 | 79% | 0.786 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -72.8 | -1.4 | 171.3 | -69.3 | -64.9 | 0 | 0 | 0 | 113.9 | D111 | D111-N113 WeakPolarHBondContact OD1-CB 3.32Å; D111-N113 PolarHBondContact OD1-N 3.34Å; D111-N113 PolarHBondContact OD1-ND2 3.24Å |
| 114 | V | 84.2 | Confident | 89 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | trans | -126.1 | 165.8 | -169.1 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | R109 G112 P151 | R109-V114 HydrophobicContact CB-CG2 4.11Å; G112-V114 PolarHBondContact O-N 3.22Å; V114-P151 HydrophobicContact CG2-CB 3.92Å; V114-P151 HydrophobicContact CG2-CG 4.32Å; V114-P151 WeakPolarHBondContact O-CG 3.44Å | ||
| 115 | K | 86 | Confident | 89.1 | Confident | 168 Ų | 168 | 36 Ų | 36 | 73% | 0.73 | 18% | 0.181 | S | C | * | . | trans | -121.2 | 2.5 | -177.6 | -66.1 | -177 | -179.1 | 176.6 | 0 | 114.2 | Q179 | K115-Q179 PolarHBondContact O-NE2 3.46Š| ||
| 116 | E | 91.2 | Very high | 89.2 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | trans | -92.8 | 112.4 | -170.5 | -53.2 | 77.6 | -110.6 | 0 | 0 | 110.7 | G108 R109 Q180 C182 | G108-E116 WeakPolarHBondContact CA-O 3.4Å; R109-E116 HydrophobicContact CB-CB 4.5Å; R109-E116 IonicContact CZ-OE2 3.46Å; R109-E116 PolarHBondContact N-O 3.14Å; R109-E116 VanDerWaalsContact N-O 3.12Å; R109-E116 IonicContact NE-OE2 2.65Å; R109-E116 PolarHBondContact NE-OE2 3.29Å; R109-E116 IonicContact NH2-OE2 3.64Å; R109-E116 PolarHBondContact NH2-OE2 2.93Å; E116-Q180 HydrophobicContact CG-CB 4.43Å; E116-Q180 HydrophobicContact CG-CG 4.15Å; E116-C182 HydrophobicContact CB-CB 3.82Å; E116-C182 VanDerWaalsContact CB-SG 3.51Å | ||
| 117 | Y | 92.4 | Very high | 89.3 | Confident | 47 Ų | 47 | 34.9 Ų | 34.9 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | trans | -149.5 | 160.4 | 177.4 | 70.3 | -95.3 | 0 | 0 | 0 | 110.8 | P119 N148 N149 D150 P151 V181 C182 | Y117-P119 HydrophobicContact CE2-CB 4.04Å; Y117-N148 HydrophobicContact CD2-CB 3.91Å; Y117-N148 WeakPolarHBondContact CE2-O 3.28Å; Y117-N148 HydrophobicContact CG-CB 4.44Å; Y117-N149 VanDerWaalsContact CZ-C 3.45Å; Y117-N149 PolarHBondContact OH-O 3.49Å; Y117-N149 VanDerWaalsContact OH-O 3.13Å; Y117-D150 WeakPolarHBondContact CB-O 3.4Å; Y117-P151 HydrophobicContact CD1-CB 4.45Å; Y117-V181 VanDerWaalsContact O-CG1 3.31Å; Y117-V181 WeakPolarHBondContact O-CG1 3.48Å; Y117-C182 WeakPolarHBondContact CA-O 3.3Å | ||
| 118 | M | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -94.8 | 116.9 | 176 | -175.7 | 178.4 | 75.9 | 0 | 0 | 110.3 | T106 N120 F121 A147 N148 I170 P172 L183 | T106-M118 HydrophobicContact CG2-CE 3.98Å; M118-N120 VanDerWaalsContact CG-O 3.27Å; M118-N120 WeakPolarHBondContact CG-O 3.43Å; M118-F121 HydrophobicContact CE-CB 3.73Å; M118-F121 HydrophobicContact CE-CD1 3.6Å; M118-F121 HydrophobicContact CE-CE1 4.36Å; M118-F121 HydrophobicContact CE-CG 3.82Å; M118-F121 HydrophobicContact SD-CB 3.86Å; M118-A147 HydrophobicContact CE-CB 3.75Å; M118-A147 VanDerWaalsContact O-CB 3.31Å; M118-A147 WeakPolarHBondContact O-CB 3.37Å; M118-N148 PolarHBondContact O-N 2.73Å; M118-I170 HydrophobicContact CE-CG2 3.92Å; M118-I170 HydrophobicContact SD-CG2 3.92Å; M118-P172 HydrophobicContact CG-CB 4.05Å; M118-P172 HydrophobicContact SD-CB 3.96Å; M118-P172 HydrophobicContact SD-CG 3.92Å; M118-L183 HydrophobicContact CB-CD1 4.26Å; M118-L183 HydrophobicContact CE-CD1 3.69Å; M118-L183 HydrophobicContact CE-CD2 4.12Å; M118-L183 HydrophobicContact SD-CD1 4.16Å; M118-L183 HydrophobicContact SD-CD2 3.96Å | ||
| 119 | P | 92.9 | Very high | 89.2 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | trans | -78.9 | -37.9 | -176.5 | 28.9 | -33.5 | 0 | 0 | 0 | 113.3 | Y117 A147 N148 | Y117-P119 HydrophobicContact CE2-CB 4.04Å; P119-A147 PolarHBondContact O-N 2.65Å; P119-N148 WeakPolarHBondContact CA-O 3.44Å | ||
| 120 | N | 95.1 | Very high | 89.2 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 168.6 | 177.2 | -39.5 | -91.1 | 0 | 0 | 0 | 109.3 | M118 V144 L145 Y173 | M118-N120 VanDerWaalsContact CG-O 3.27Å; M118-N120 WeakPolarHBondContact CG-O 3.43Å; N120-V144 HydrophobicContact CB-CG1 3.71Å; N120-L145 CarbonylContact C-O 3.23Å; N120-L145 WeakPolarHBondContact CA-O 3.36Å; N120-L145 WeakPolarHBondContact CB-O 3.24Å; N120-Y173 HydrophobicContact CB-CD1 4.16Å; N120-Y173 WeakPolarHBondContact CB-O 3.28Å; N120-Y173 PolarHBondContact ND2-O 2.92Å; N120-Y173 PolarHBondContact O-N 3.01Å |
| 121 | F | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 161 | 174.9 | 61.4 | -73.2 | 0 | 0 | 0 | 112.3 | I104 M118 L123 L145 A147 T157 I170 Y171 | I104-F121 HydrophobicContact CD1-CE2 4.01Å; I104-F121 HydrophobicContact CD1-CZ 4.32Å; M118-F121 HydrophobicContact CE-CB 3.73Å; M118-F121 HydrophobicContact CE-CD1 3.6Å; M118-F121 HydrophobicContact CE-CE1 4.36Å; M118-F121 HydrophobicContact CE-CG 3.82Å; M118-F121 HydrophobicContact SD-CB 3.86Å; F121-L123 HydrophobicContact CD2-CB 4.28Å; F121-L123 HydrophobicContact CD2-CD1 4.31Å; F121-L123 HydrophobicContact CE2-CB 4.25Å; F121-L123 HydrophobicContact CE2-CD1 4.1Å; F121-L145 HydrophobicContact CD1-CB 3.94Å; F121-L145 WeakPolarHBondContact CD1-O 3.2Å; F121-L145 HydrophobicContact CD2-CB 4.18Å; F121-L145 HydrophobicContact CD2-CD1 4.26Å; F121-L145 HydrophobicContact CE1-CB 3.62Å; F121-L145 HydrophobicContact CE2-CB 3.89Å; F121-L145 HydrophobicContact CE2-CD1 3.53Å; F121-L145 HydrophobicContact CE2-CG 4.32Å; F121-L145 HydrophobicContact CG-CB 4.22Å; F121-L145 HydrophobicContact CZ-CB 3.6Å; F121-L145 HydrophobicContact CZ-CD1 3.75Å; F121-L145 HydrophobicContact CZ-CG 4.33Å; F121-L145 PolarHBondContact N-O 3.15Å; F121-L145 PolarHBondContact O-N 3.42Å; F121-A147 HydrophobicContact CD1-CB 3.89Å; F121-A147 HydrophobicContact CE1-CB 4.05Å; F121-T157 HydrophobicContact CE1-CG2 4.44Å; F121-T157 HydrophobicContact CZ-CG2 4.05Å; F121-I170 HydrophobicContact CB-CG2 3.86Å; F121-I170 HydrophobicContact CD2-CG2 3.93Å; F121-I170 HydrophobicContact CG-CG2 4.07Å; F121-Y171 CarbonylContact C-O 3.56Å; F121-Y171 WeakPolarHBondContact CA-O 3.22Å; F121-Y171 WeakPolarHBondContact CB-O 3.24Å |
| 122 | V | 96.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144 | 159.7 | 177 | 0 | 0 | 0 | 0 | 107.3 | L87 E135 V144 Y171 Y173 | L87-V122 HydrophobicContact CD1-CB 4.18Å; L87-V122 HydrophobicContact CD1-CG1 4.14Å; L87-V122 HydrophobicContact CD1-CG2 4.25Å; L87-V122 HydrophobicContact CD2-CB 3.94Å; L87-V122 HydrophobicContact CD2-CG2 3.8Å; V122-E135 HydrophobicContact CG1-CG 3.79Å; V122-V144 HydrophobicContact CG2-CG2 4.09Å; V122-Y171 PolarHBondContact N-O 3.02Å; V122-Y171 WeakPolarHBondContact O-CB 3.33Å; V122-Y171 PolarHBondContact O-N 3Å; V122-Y173 HydrophobicContact CG2-CD2 4.44Å; V122-Y173 HydrophobicContact CG2-CG 4.5Å |
| 123 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.4 | -176.7 | -168.3 | 77.3 | 0 | 0 | 0 | 110.8 | I104 F121 H136 L145 L159 I168 I170 | I104-L123 HydrophobicContact CD1-CD1 3.78Å; I104-L123 HydrophobicContact CD1-CD2 3.73Å; I104-L123 HydrophobicContact CD1-CG 4.39Å; F121-L123 HydrophobicContact CD2-CB 4.28Å; F121-L123 HydrophobicContact CD2-CD1 4.31Å; F121-L123 HydrophobicContact CE2-CB 4.25Å; F121-L123 HydrophobicContact CE2-CD1 4.1Å; L123-H136 HydrophobicContact CB-CB 4.24Å; L123-H136 HydrophobicContact CD2-CB 4.15Å; L123-H136 PolarHBondContact O-N 3.35Å; L123-L145 HydrophobicContact CB-CD1 4.2Å; L123-L159 HydrophobicContact CD2-CD1 4.03Å; L123-L159 HydrophobicContact CD2-CD2 4.27Å; L123-I168 HydrophobicContact CD1-CD1 3.85Å; L123-I168 HydrophobicContact CD1-CG1 3.82Å; L123-I168 HydrophobicContact CD2-CD1 4.1Å; L123-I168 HydrophobicContact CG-CD1 4.28Å; L123-I168 HydrophobicContact CG-CG1 4.32Å; L123-I170 HydrophobicContact CD1-CG1 3.78Å |
| 124 | R | 97.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 45 Ų | 45 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154 | 173.2 | -62.8 | -175.2 | 175.4 | 170.7 | -5.4 | 110.9 | W133 Y134 E135 R169 Y171 | R124-W133 HydrophobicContact CB-CE3 4.06Å; R124-Y134 CarbonylContact C-O 3.56Å; R124-Y134 WeakPolarHBondContact CA-O 3.46Å; R124-Y134 WeakPolarHBondContact CB-O 3.4Å; R124-E135 HydrophobicContact CG-CB 4.04Å; R124-E135 HydrophobicContact CG-CG 3.95Å; R124-E135 IonicContact CZ-OE2 2.71Å; R124-E135 IonicContact NE-OE2 2.65Å; R124-E135 PolarHBondContact NE-OE2 3.43Å; R124-E135 IonicContact NH2-OE2 3.69Å; R124-E135 PolarHBondContact NH2-OE2 3.35Å; R124-R169 PolarHBondContact N-O 2.96Å; R124-R169 PolarHBondContact O-N 3.37Å; R124-Y171 HydrophobicContact CB-CD2 4.46Å; R124-Y171 HydrophobicContact CB-CE2 3.95Å; R124-Y171 HydrophobicContact CG-CD2 4.27Å; R124-Y171 HydrophobicContact CG-CE2 3.97Å |
| 125 | Y | 97.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 162 | -177.6 | 60.6 | -87.3 | 0 | 0 | 0 | 111.9 | W133 Y134 H136 V163 A165 R167 D232 | Y125-W133 CarbonylContact O-C 3.56Å; Y125-W133 WeakPolarHBondContact O-CA 3.48Å; Y125-Y134 HydrophobicContact CD2-CD2 4.29Å; Y125-Y134 HydrophobicContact CD2-CG 4.47Å; Y125-Y134 HydrophobicContact CE2-CD2 4.02Å; Y125-Y134 AromaticContact CE2-CG 3.88Å; Y125-Y134 HydrophobicContact CE2-CG 3.88Å; Y125-Y134 VanDerWaalsContact CZ-CB 3.43Å; Y125-Y134 PolarHBondContact N-O 3.31Å; Y125-Y134 PolarHBondContact O-N 2.7Å; Y125-H136 HydrophobicContact CE1-CB 4.21Å; Y125-V163 HydrophobicContact CD1-CG1 3.7Å; Y125-V163 HydrophobicContact CD1-CG2 4.4Å; Y125-V163 HydrophobicContact CD2-CG1 4.12Å; Y125-V163 HydrophobicContact CE1-CG1 4.09Å; Y125-V163 HydrophobicContact CE1-CG2 4.12Å; Y125-V163 HydrophobicContact CE2-CG1 4.48Å; Y125-V163 HydrophobicContact CG-CG1 3.73Å; Y125-A165 HydrophobicContact CD2-CB 4.3Å; Y125-A165 HydrophobicContact CG-CB 4.42Å; Y125-R167 CarbonylContact C-O 3.51Å; Y125-R167 VanDerWaalsContact CA-O 3.23Å; Y125-R167 WeakPolarHBondContact CA-O 3.36Å; Y125-R167 WeakPolarHBondContact CB-O 3.5Å; Y125-D232 PolarHBondContact OH-OD2 2.94Å; Y125-D232 VanDerWaalsContact OH-OD2 3.1Å |
| 126 | Q | 97.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 138.9 | -176.3 | -162.3 | -167.6 | 39.1 | 0 | 0 | 108.9 | E128 G131 W133 K166 R167 | Q126-E128 VanDerWaalsContact CG-O 3.31Å; Q126-E128 WeakPolarHBondContact CG-O 3.41Å; Q126-E128 PolarHBondContact OE1-O 3.35Å; Q126-G131 PolarHBondContact NE2-O 2.84Å; Q126-W133 HydrophobicContact CB-CD2 4.01Å; Q126-W133 HydrophobicContact CB-CE3 4.04Å; Q126-W133 HydrophobicContact CB-CH2 4.12Å; Q126-W133 HydrophobicContact CB-CZ2 4.08Å; Q126-W133 HydrophobicContact CB-CZ3 4.1Å; Q126-W133 HydrophobicContact CG-CD2 4.48Å; Q126-K166 PolarHBondContact O-N 3.43Å; Q126-R167 HydrophobicContact CB-CB 4.22Å; Q126-R167 PolarHBondContact N-O 3.29Å; Q126-R167 PolarHBondContact O-N 2.04Å |
| 127 | R | 97.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -98.1 | -43.6 | -177.6 | -68.7 | 175.1 | 178.5 | 134.5 | 1.7 | 113.3 | L98 I164 K166 I197 D232 | L98-R127 HydrophobicContact CD2-CB 4.21Å; L98-R127 HydrophobicContact CD2-CG 4.41Å; R127-I164 WeakPolarHBondContact CG-O 3.16Å; R127-I164 PolarHBondContact NE-O 2.95Å; R127-I164 VanDerWaalsContact NE-O 3.13Å; R127-K166 VanDerWaalsContact O-CB 3.28Å; R127-K166 WeakPolarHBondContact O-CB 3.48Å; R127-I197 HydrophobicContact CB-CB 4.18Å; R127-I197 HydrophobicContact CB-CG2 3.91Å; R127-I197 WeakPolarHBondContact CD-O 3.25Å; R127-D232 IonicContact CZ-OD1 2.69Å; R127-D232 IonicContact CZ-OD2 3.93Å; R127-D232 IonicContact NH1-OD1 3.35Å; R127-D232 PolarHBondContact NH1-OD1 2.84Å; R127-D232 IonicContact NH1-OD2 2.68Å; R127-D232 PolarHBondContact NH1-OD2 2.69Å; R127-D232 IonicContact NH2-OD1 3.51Å; R127-D232 IonicContact NH2-OD2 3.62Å; R127-D232 PolarHBondContact NH2-OD2 3.34Å |
| 128 | E | 94.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -105.1 | 157.4 | 178.3 | -73.7 | 177.2 | 102.6 | 0 | 0 | 112.1 | Q126 N130 G131 I197 K289 R409 | Q126-E128 VanDerWaalsContact CG-O 3.31Å; Q126-E128 WeakPolarHBondContact CG-O 3.41Å; Q126-E128 PolarHBondContact OE1-O 3.35Å; E128-N130 PolarHBondContact O-N 2.84Å; E128-G131 PolarHBondContact O-N 2.95Å; E128-G131 VanDerWaalsContact O-N 3.12Å; E128-I197 HydrophobicContact CG-CD1 3.41Å; E128-I197 VanDerWaalsContact CG-CD1 3.41Å; E128-I197 WeakPolarHBondContact OE2-CD1 3.31Å; E128-K289 WeakPolarHBondContact OE1-CE 3.45Å; E128-K289 IonicContact OE1-NZ 2.72Å; E128-K289 PolarHBondContact OE1-NZ 2.97Å; E128-K289 IonicContact OE2-NZ 2.69Å; E128-K289 PolarHBondContact OE2-NZ 2.68Å; E128-R409 IonicContact OE1-CZ 3.86Å; E128-R409 IonicContact OE1-NH2 3.28Å; E128-R409 PolarHBondContact OE1-NH2 2.9Å |
| 129 | D | 90.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 43.9 Ų | 43.9 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 128.7 | 164.9 | -57.8 | -39.7 | 0 | 0 | 0 | 110 | G131 K166 R167 | D129-G131 PolarHBondContact O-N 2.68Å; D129-G131 VanDerWaalsContact O-N 3.15Å; D129-K166 IonicContact OD1-NZ 2.7Å; D129-K166 PolarHBondContact OD1-NZ 2.88Å; D129-K166 IonicContact OD2-NZ 3.69Å; D129-K166 PolarHBondContact OD2-NZ 2.79Å; D129-R167 IonicContact OD1-CZ 2.69Å; D129-R167 IonicContact OD1-NH1 2.83Å; D129-R167 PolarHBondContact OD1-NH1 2.82Å; D129-R167 IonicContact OD1-NH2 3.22Å; D129-R167 PolarHBondContact OD1-NH2 2.68Å |
| 130 | N | 88.9 | Confident | 93.5 | Very high | 165 Ų | 165 | 48.4 Ų | 48.4 | 88% | 0.882 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 13.4 | -170 | -51.2 | -48.9 | 0 | 0 | 0 | 115.4 | E128 | E128-N130 PolarHBondContact O-N 2.84Š|
| 131 | G | 91.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | trans | -72 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q126 E128 D129 | Q126-G131 PolarHBondContact NE2-O 2.84Å; E128-G131 PolarHBondContact O-N 2.95Å; E128-G131 VanDerWaalsContact O-N 3.12Å; D129-G131 PolarHBondContact O-N 2.68Å; D129-G131 VanDerWaalsContact O-N 3.15Å | ||
| 132 | V | 93.8 | Very high | 93 | Very high | 104 Ų | 104 | 51 Ų | 51 | 63% | 0.63 | 28% | 0.28 | S | S | * | . | trans | -66.5 | 142.8 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | Y134 | V132-Y134 HydrophobicContact CB-CE2 4.42Å; V132-Y134 WeakPolarHBondContact O-CD2 3.38Å; V132-Y134 WeakPolarHBondContact O-CE2 3.17Å | ||
| 133 | W | 95.5 | Very high | 92.9 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.8 | 168.5 | -75.9 | 86.9 | 0 | 0 | 0 | 110.1 | R124 Y125 Q126 R167 R169 | R124-W133 HydrophobicContact CB-CE3 4.06Å; Y125-W133 CarbonylContact O-C 3.56Å; Y125-W133 WeakPolarHBondContact O-CA 3.48Å; Q126-W133 HydrophobicContact CB-CD2 4.01Å; Q126-W133 HydrophobicContact CB-CE3 4.04Å; Q126-W133 HydrophobicContact CB-CH2 4.12Å; Q126-W133 HydrophobicContact CB-CZ2 4.08Å; Q126-W133 HydrophobicContact CB-CZ3 4.1Å; Q126-W133 HydrophobicContact CG-CD2 4.48Å; W133-R167 HydrophobicContact CH2-CB 3.77Å; W133-R167 HydrophobicContact CZ2-CB 4.45Å; W133-R167 HydrophobicContact CZ3-CB 4.42Å; W133-R169 HydrophobicContact CH2-CB 4.46Å; W133-R169 HydrophobicContact CH2-CG 3.65Å; W133-R169 VanDerWaalsContact CZ2-CZ 3.43Å; W133-R169 HydrophobicContact CZ3-CB 3.95Å; W133-R169 HydrophobicContact CZ3-CG 3.63Å |
| 134 | Y | 96.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 155 | 172.1 | -56.3 | -96.4 | 0 | 0 | 0 | 109.6 | R124 Y125 V132 D232 G244 | R124-Y134 CarbonylContact C-O 3.56Å; R124-Y134 WeakPolarHBondContact CA-O 3.46Å; R124-Y134 WeakPolarHBondContact CB-O 3.4Å; Y125-Y134 HydrophobicContact CD2-CD2 4.29Å; Y125-Y134 HydrophobicContact CD2-CG 4.47Å; Y125-Y134 HydrophobicContact CE2-CD2 4.02Å; Y125-Y134 AromaticContact CE2-CG 3.88Å; Y125-Y134 HydrophobicContact CE2-CG 3.88Å; Y125-Y134 VanDerWaalsContact CZ-CB 3.43Å; Y125-Y134 PolarHBondContact N-O 3.31Å; Y125-Y134 PolarHBondContact O-N 2.7Å; V132-Y134 HydrophobicContact CB-CE2 4.42Å; V132-Y134 WeakPolarHBondContact O-CD2 3.38Å; V132-Y134 WeakPolarHBondContact O-CE2 3.17Å; Y134-D232 HydrophobicContact CD1-CB 4.27Å; Y134-G244 PolarHBondContact OH-O 2.74Å |
| 135 | E | 95.4 | Very high | 92.6 | Very high | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.3 | 173.7 | -170.7 | 174.4 | 99.7 | 0 | 0 | 108.8 | V122 R124 V137 R143 | V122-E135 HydrophobicContact CG1-CG 3.79Å; R124-E135 HydrophobicContact CG-CB 4.04Å; R124-E135 HydrophobicContact CG-CG 3.95Å; R124-E135 IonicContact CZ-OE2 2.71Å; R124-E135 IonicContact NE-OE2 2.65Å; R124-E135 PolarHBondContact NE-OE2 3.43Å; R124-E135 IonicContact NH2-OE2 3.69Å; R124-E135 PolarHBondContact NH2-OE2 3.35Å; E135-V137 PolarHBondContact O-N 2.93Å; E135-R143 VanDerWaalsContact CD-NH2 3.34Å; E135-R143 IonicContact OE1-CZ 3.79Å; E135-R143 IonicContact OE1-NE 2.76Å; E135-R143 PolarHBondContact OE1-NE 2.67Å; E135-R143 IonicContact OE1-NH2 3.69Å; E135-R143 PolarHBondContact OE1-NH2 3.27Å; E135-R143 IonicContact OE2-NH2 2.76Å; E135-R143 PolarHBondContact OE2-NH2 2.96Å |
| 136 | H | 95.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.009 | 32% | 0.322 | C | S | . | . | trans | -71.5 | 118.7 | 177.2 | 164.3 | -68.9 | 0 | 0 | 0 | 109.3 | L123 Y125 S161 V163 | L123-H136 HydrophobicContact CB-CB 4.24Å; L123-H136 HydrophobicContact CD2-CB 4.15Å; L123-H136 PolarHBondContact O-N 3.35Å; Y125-H136 HydrophobicContact CE1-CB 4.21Å; H136-S161 PolarHBondContact CD2-OG 3.42Å; H136-S161 PolarHBondContact NE2-OG 3.38Å; H136-V163 HydrophobicContact CB-CG2 4.33Å | ||
| 137 | V | 92.5 | Very high | 92.4 | Very high | 58 Ų | 58 | 60 Ų | 60 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | trans | -114.4 | 137.7 | 169.5 | -168.9 | 0 | 0 | 0 | 0 | 108 | E135 G141 R143 S161 | E135-V137 PolarHBondContact O-N 2.93Å; V137-G141 WeakPolarHBondContact CG1-O 3.3Å; V137-R143 HydrophobicContact CG1-CG 4.18Å; V137-R143 HydrophobicContact CG2-CG 4.16Å; V137-S161 PolarHBondContact O-OG 2.85Å | ||
| 138 | K | 87.5 | Confident | 92.2 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | trans | -65.6 | 158.6 | 172.7 | -67.9 | -156.8 | 163 | -85.3 | 0 | 111.7 | D140 G141 T142 L145 D160 | K138-D140 WeakPolarHBondContact CB-OD1 3.35Å; K138-D140 PolarHBondContact O-N 2.94Å; K138-D140 VanDerWaalsContact O-N 3.13Å; K138-G141 WeakPolarHBondContact O-CA 3Å; K138-G141 PolarHBondContact O-N 2.98Å; K138-T142 HydrophobicContact CD-CG2 4.37Å; K138-T142 WeakPolarHBondContact CG-O 3.43Å; K138-T142 PolarHBondContact N-O 2.71Å; K138-L145 HydrophobicContact CD-CD2 4.44Å; K138-L145 HydrophobicContact CG-CD2 4.23Å; K138-D160 WeakPolarHBondContact CA-OD2 3.4Å; K138-D160 WeakPolarHBondContact CB-OD2 3.2Å; K138-D160 WeakPolarHBondContact CD-OD1 3.21Å; K138-D160 WeakPolarHBondContact CG-OD1 3.37Å; K138-D160 IonicContact NZ-OD1 2.73Å; K138-D160 PolarHBondContact NZ-OD1 3.04Å | ||
| 139 | T | 80.5 | Confident | 92.1 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.534 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -23.6 | 168.9 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | D160 | T139-D160 WeakPolarHBondContact CB-OD2 3.42Å; T139-D160 PolarHBondContact N-OD2 3.44Å; T139-D160 PolarHBondContact OG1-OD2 3.22Å |
| 140 | D | 84.5 | Confident | 92 | Very high | 113 Ų | 113 | 60.8 Ų | 60.8 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.5 | 174 | 72.1 | 5.9 | 0 | 0 | 0 | 114.5 | K138 T142 | K138-D140 WeakPolarHBondContact CB-OD1 3.35Å; K138-D140 PolarHBondContact O-N 2.94Å; K138-D140 VanDerWaalsContact O-N 3.13Å; D140-T142 WeakPolarHBondContact OD1-CB 3.47Å; D140-T142 PolarHBondContact OD1-N 3.22Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å; D140-T142 PolarHBondContact OD2-OG1 2.75Å |
| 141 | G | 89.5 | Confident | 91.9 | Very high | 48 Ų | 48 | 53.8 Ų | 53.8 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 84.8 | 0.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V137 K138 R143 | V137-G141 WeakPolarHBondContact CG1-O 3.3Å; K138-G141 WeakPolarHBondContact O-CA 3Å; K138-G141 PolarHBondContact O-N 2.98Å; G141-R143 PolarHBondContact O-N 2.97Å |
| 142 | T | 92.3 | Very high | 91.5 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | trans | -70.3 | 116.3 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | K138 D140 V144 | K138-T142 HydrophobicContact CD-CG2 4.37Å; K138-T142 WeakPolarHBondContact CG-O 3.43Å; K138-T142 PolarHBondContact N-O 2.71Å; D140-T142 WeakPolarHBondContact OD1-CB 3.47Å; D140-T142 PolarHBondContact OD1-N 3.22Å; D140-T142 PolarHBondContact OD1-OG1 3.29Å; D140-T142 PolarHBondContact OD2-OG1 2.75Å; T142-V144 WeakPolarHBondContact CG2-O 3.37Å | ||
| 143 | R | 94.2 | Very high | 91.3 | Very high | 115 Ų | 115 | 59.8 Ų | 59.8 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | trans | -85.6 | -28.6 | 174 | -59.6 | 175.1 | 58.8 | -124 | -6.4 | 114 | E135 V137 G141 | E135-R143 VanDerWaalsContact CD-NH2 3.34Å; E135-R143 IonicContact OE1-CZ 3.79Å; E135-R143 IonicContact OE1-NE 2.76Å; E135-R143 PolarHBondContact OE1-NE 2.67Å; E135-R143 IonicContact OE1-NH2 3.69Å; E135-R143 PolarHBondContact OE1-NH2 3.27Å; E135-R143 IonicContact OE2-NH2 2.76Å; E135-R143 PolarHBondContact OE2-NH2 2.96Å; V137-R143 HydrophobicContact CG1-CG 4.18Å; V137-R143 HydrophobicContact CG2-CG 4.16Å; G141-R143 PolarHBondContact O-N 2.97Å | ||
| 144 | V | 95 | Very high | 91.1 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 24% | 0.242 | 31% | 0.308 | C | S | . | . | trans | -100.5 | 112.4 | -171.3 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | N120 V122 T142 Y173 | N120-V144 HydrophobicContact CB-CG1 3.71Å; V122-V144 HydrophobicContact CG2-CG2 4.09Å; T142-V144 WeakPolarHBondContact CG2-O 3.37Å; V144-Y173 HydrophobicContact CB-CD1 4.29Å; V144-Y173 HydrophobicContact CB-CE1 4.33Å; V144-Y173 HydrophobicContact CG1-CD1 3.38Å; V144-Y173 HydrophobicContact CG1-CE1 3.72Å; V144-Y173 HydrophobicContact CG1-CG 4.28Å; V144-Y173 HydrophobicContact CG2-CD1 3.85Å; V144-Y173 HydrophobicContact CG2-CE1 3.65Å; V144-Y173 HydrophobicContact CG2-CG 4.38Å | ||
| 145 | L | 95.5 | Very high | 91 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.6 | 179.1 | -62.1 | 179.1 | 0 | 0 | 0 | 110.2 | N120 F121 L123 K138 T157 L159 | N120-L145 CarbonylContact C-O 3.23Å; N120-L145 WeakPolarHBondContact CA-O 3.36Å; N120-L145 WeakPolarHBondContact CB-O 3.24Å; F121-L145 HydrophobicContact CD1-CB 3.94Å; F121-L145 WeakPolarHBondContact CD1-O 3.2Å; F121-L145 HydrophobicContact CD2-CB 4.18Å; F121-L145 HydrophobicContact CD2-CD1 4.26Å; F121-L145 HydrophobicContact CE1-CB 3.62Å; F121-L145 HydrophobicContact CE2-CB 3.89Å; F121-L145 HydrophobicContact CE2-CD1 3.53Å; F121-L145 HydrophobicContact CE2-CG 4.32Å; F121-L145 HydrophobicContact CG-CB 4.22Å; F121-L145 HydrophobicContact CZ-CB 3.6Å; F121-L145 HydrophobicContact CZ-CD1 3.75Å; F121-L145 HydrophobicContact CZ-CG 4.33Å; F121-L145 PolarHBondContact N-O 3.15Å; F121-L145 PolarHBondContact O-N 3.42Å; L123-L145 HydrophobicContact CB-CD1 4.2Å; K138-L145 HydrophobicContact CD-CD2 4.44Å; K138-L145 HydrophobicContact CG-CD2 4.23Å; L145-T157 HydrophobicContact CB-CG2 4.21Å; L145-T157 HydrophobicContact CD1-CG2 4.29Å; L145-T157 HydrophobicContact CD2-CG2 4.36Å; L145-L159 HydrophobicContact CD1-CD2 3.86Å |
| 146 | K | 95 | Very high | 91 | Very high | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 145.1 | 174.3 | -170.6 | 174.8 | -179.7 | -178.2 | 0 | 110.4 | N149 T157 | K146-N149 WeakPolarHBondContact CE-OD1 3.24Å; K146-N149 PolarHBondContact NZ-OD1 2.8Å; K146-T157 PolarHBondContact O-OG1 2.89Å |
| 147 | A | 94.9 | Very high | 91 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | trans | -124.6 | -126.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M118 P119 F121 A155 | M118-A147 HydrophobicContact CE-CB 3.75Å; M118-A147 VanDerWaalsContact O-CB 3.31Å; M118-A147 WeakPolarHBondContact O-CB 3.37Å; P119-A147 PolarHBondContact O-N 2.65Å; F121-A147 HydrophobicContact CD1-CB 3.89Å; F121-A147 HydrophobicContact CE1-CB 4.05Å; A147-A155 WeakPolarHBondContact O-CB 3.35Å | ||
| 148 | N | 93.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.011 | 33% | 0.333 | C | S | . | . | trans | -79 | 162 | -170.6 | -52.2 | 93.3 | 0 | 0 | 0 | 112.9 | T106 A107 Y117 M118 P119 D150 N153 A155 | T106-N148 PolarHBondContact O-ND2 3Å; T106-N148 PolarHBondContact OG1-OD1 3.08Å; A107-N148 WeakPolarHBondContact CA-ND2 3.17Å; Y117-N148 HydrophobicContact CD2-CB 3.91Å; Y117-N148 WeakPolarHBondContact CE2-O 3.28Å; Y117-N148 HydrophobicContact CG-CB 4.44Å; M118-N148 PolarHBondContact O-N 2.73Å; P119-N148 WeakPolarHBondContact CA-O 3.44Å; N148-D150 WeakPolarHBondContact CB-O 3.41Å; N148-N153 PolarHBondContact ND2-O 2.87Å; N148-A155 PolarHBondContact ND2-N 3Å | ||
| 149 | N | 91.8 | Very high | 91.1 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -117.2 | -2.5 | 170.9 | -49 | -94.4 | 0 | 0 | 0 | 111.7 | Y117 K146 | Y117-N149 VanDerWaalsContact CZ-C 3.45Å; Y117-N149 PolarHBondContact OH-O 3.49Å; Y117-N149 VanDerWaalsContact OH-O 3.13Å; K146-N149 WeakPolarHBondContact CE-OD1 3.24Å; K146-N149 PolarHBondContact NZ-OD1 2.8Å |
| 150 | D | 88.7 | Confident | 91.1 | Very high | 43 Ų | 43 | 62 Ų | 62 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -161 | 170.5 | -173.9 | 72.3 | 83.6 | 0 | 0 | 0 | 108.3 | Y117 N148 R152 N153 | Y117-D150 WeakPolarHBondContact CB-O 3.4Å; N148-D150 WeakPolarHBondContact CB-O 3.41Å; D150-R152 PolarHBondContact OD1-N 3.05Å; D150-N153 VanDerWaalsContact CG-ND2 3.25Å; D150-N153 PolarHBondContact OD1-N 2.98Å; D150-N153 PolarHBondContact OD1-ND2 3.47Å; D150-N153 WeakPolarHBondContact OD2-CB 3.29Å; D150-N153 PolarHBondContact OD2-ND2 2.76Å |
| 151 | P | 86.5 | Confident | 91 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -90.6 | -10.2 | -173 | 24.9 | -14.6 | 0 | 0 | 0 | 115.6 | G108 G110 V114 Y117 | G108-P151 CarbonylContact C-O 3.27Å; G108-P151 VanDerWaalsContact C-O 3.3Å; G108-P151 WeakPolarHBondContact CA-O 3.32Å; G108-P151 PolarHBondContact N-O 3.06Å; G110-P151 CarbonylContact O-C 3.58Å; G110-P151 VanDerWaalsContact O-O 3.09Å; V114-P151 HydrophobicContact CG2-CB 3.92Å; V114-P151 HydrophobicContact CG2-CG 4.32Å; V114-P151 WeakPolarHBondContact O-CG 3.44Å; Y117-P151 HydrophobicContact CD1-CB 4.45Å |
| 152 | R | 83.8 | Confident | 90.7 | Very high | 155 Ų | 155 | 56.4 Ų | 56.4 | 59% | 0.585 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -100.7 | -44.4 | -172.3 | -177 | -171.8 | 176.5 | 116.9 | -3.3 | 112 | G110 D111 D150 | G110-R152 WeakPolarHBondContact O-CA 3.48Å; D111-R152 VanDerWaalsContact O-CD 3.28Å; D111-R152 WeakPolarHBondContact O-CD 3.26Å; D111-R152 PolarHBondContact O-NH1 2.84Å; D150-R152 PolarHBondContact OD1-N 3.05Å |
| 153 | N | 88.5 | Confident | 90.8 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -79.4 | 134.1 | -171.1 | -62.7 | -49.3 | 0 | 0 | 0 | 111.9 | N148 D150 A155 | N148-N153 PolarHBondContact ND2-O 2.87Å; D150-N153 VanDerWaalsContact CG-ND2 3.25Å; D150-N153 PolarHBondContact OD1-N 2.98Å; D150-N153 PolarHBondContact OD1-ND2 3.47Å; D150-N153 WeakPolarHBondContact OD2-CB 3.29Å; D150-N153 PolarHBondContact OD2-ND2 2.76Å; N153-A155 PolarHBondContact O-N 3.39Å |
| 154 | I | 92.3 | Very high | 90.9 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -73.4 | 124.1 | 174.7 | -58 | 163.6 | 0 | 0 | 0 | 108.9 | L62 E64 V65 F105 T106 A107 | L62-I154 HydrophobicContact CD2-CG1 4.33Å; L62-I154 HydrophobicContact CD2-CG2 4.11Å; E64-I154 HydrophobicContact CB-CD1 4.45Å; V65-I154 HydrophobicContact CG2-CD1 3.85Å; V65-I154 HydrophobicContact CG2-CG2 3.87Å; F105-I154 HydrophobicContact CB-CG2 4.05Å; F105-I154 HydrophobicContact CD1-CG2 3.86Å; F105-I154 HydrophobicContact CG-CG2 4.44Å; T106-I154 CarbonylContact O-C 3.46Å; T106-I154 WeakPolarHBondContact O-CA 3.46Å; A107-I154 HydrophobicContact CB-CG1 4.28Å |
| 155 | A | 94.2 | Very high | 91 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F105 T106 A147 N148 N153 | F105-A155 CarbonylContact C-O 3.47Å; F105-A155 WeakPolarHBondContact CA-O 3.29Å; T106-A155 PolarHBondContact N-O 2.8Å; T106-A155 PolarHBondContact O-N 3.17Å; T106-A155 PolarHBondContact OG1-O 3.15Å; A147-A155 WeakPolarHBondContact O-CB 3.35Å; N148-A155 PolarHBondContact ND2-N 3Å; N153-A155 PolarHBondContact O-N 3.39Å |
| 156 | R | 95.3 | Very high | 91.1 | Very high | 154 Ų | 154 | 48 Ų | 48 | 58% | 0.581 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.1 | 176.1 | -177.1 | -173.4 | 172.6 | -141.4 | -0.5 | 110.5 | V103 F105 T158 | V103-R156 HydrophobicContact CG1-CG 3.61Å; F105-R156 HydrophobicContact CD1-CB 3.78Å; F105-R156 HydrophobicContact CD1-CG 3.99Å; F105-R156 HydrophobicContact CE1-CB 3.66Å; F105-R156 HydrophobicContact CE1-CG 3.59Å; F105-R156 HydrophobicContact CE2-CG 4.46Å; F105-R156 HydrophobicContact CZ-CB 4.43Å; F105-R156 HydrophobicContact CZ-CG 3.86Å; R156-T158 PolarHBondContact NH2-OG1 3.01Å |
| 157 | T | 94.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 106.7 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | I104 F121 L145 K146 | I104-T157 PolarHBondContact N-O 2.84Å; I104-T157 PolarHBondContact O-N 2.84Å; F121-T157 HydrophobicContact CE1-CG2 4.44Å; F121-T157 HydrophobicContact CZ-CG2 4.05Å; L145-T157 HydrophobicContact CB-CG2 4.21Å; L145-T157 HydrophobicContact CD1-CG2 4.29Å; L145-T157 HydrophobicContact CD2-CG2 4.36Å; K146-T157 PolarHBondContact O-OG1 2.89Å |
| 158 | T | 91.2 | Very high | 91.4 | Very high | 65 Ų | 65 | 44 Ų | 44 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 138.7 | 169.8 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | V103 R156 | V103-T158 HydrophobicContact CG2-CG2 4.23Å; R156-T158 PolarHBondContact NH2-OG1 3.01Å |
| 159 | L | 91 | Very high | 91.6 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.2 | 171.4 | -51.8 | -177.6 | 0 | 0 | 0 | 108.5 | I101 S102 I104 L123 L145 V163 | I101-L159 HydrophobicContact CG2-CD1 4.19Å; S102-L159 PolarHBondContact O-N 2.85Å; I104-L159 HydrophobicContact CD1-CD1 4.35Å; I104-L159 HydrophobicContact CD1-CD2 4.28Å; I104-L159 HydrophobicContact CG1-CD1 4.46Å; L123-L159 HydrophobicContact CD2-CD1 4.03Å; L123-L159 HydrophobicContact CD2-CD2 4.27Å; L145-L159 HydrophobicContact CD1-CD2 3.86Å; L159-V163 HydrophobicContact CD1-CB 4.09Å; L159-V163 HydrophobicContact CD1-CG2 3.73Å |
| 160 | D | 81.4 | Confident | 91.9 | Very high | 62 Ų | 62 | 41.6 Ų | 41.6 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -24.2 | -177.8 | 52.8 | -63.8 | 0 | 0 | 0 | 113.2 | K138 T139 | K138-D160 WeakPolarHBondContact CA-OD2 3.4Å; K138-D160 WeakPolarHBondContact CB-OD2 3.2Å; K138-D160 WeakPolarHBondContact CD-OD1 3.21Å; K138-D160 WeakPolarHBondContact CG-OD1 3.37Å; K138-D160 IonicContact NZ-OD1 2.73Å; K138-D160 PolarHBondContact NZ-OD1 3.04Å; T139-D160 WeakPolarHBondContact CB-OD2 3.42Å; T139-D160 PolarHBondContact N-OD2 3.44Å; T139-D160 PolarHBondContact OG1-OD2 3.22Å |
| 161 | S | 83.1 | Confident | 92.3 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 152.5 | 161.6 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | H136 V137 | H136-S161 PolarHBondContact CD2-OG 3.42Å; H136-S161 PolarHBondContact NE2-OG 3.38Å; V137-S161 PolarHBondContact O-OG 2.85Å |
| 162 | V | 83.1 | Confident | 92.7 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136 | 177 | 70.2 | 0 | 0 | 0 | 0 | 110.3 | I100 I164 D251 | I100-V162 HydrophobicContact CG1-CG2 4.43Å; I100-V162 HydrophobicContact CG2-CG2 4.12Å; V162-I164 HydrophobicContact CG2-CD1 4.3Å; V162-I164 HydrophobicContact CG2-CG1 4.16Å; V162-D251 HydrophobicContact CB-CB 4.1Å; V162-D251 HydrophobicContact CG1-CB 3.91Å |
| 163 | V | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 97 | 172.4 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | I100 I101 Y125 H136 L159 A165 | I100-V163 CarbonylContact C-O 3.47Å; I100-V163 WeakPolarHBondContact CA-O 3.45Å; I101-V163 HydrophobicContact CB-CB 4.36Å; I101-V163 HydrophobicContact CB-CG1 4.42Å; I101-V163 PolarHBondContact N-O 2.94Å; Y125-V163 HydrophobicContact CD1-CG1 3.7Å; Y125-V163 HydrophobicContact CD1-CG2 4.4Å; Y125-V163 HydrophobicContact CD2-CG1 4.12Å; Y125-V163 HydrophobicContact CE1-CG1 4.09Å; Y125-V163 HydrophobicContact CE1-CG2 4.12Å; Y125-V163 HydrophobicContact CE2-CG1 4.48Å; Y125-V163 HydrophobicContact CG-CG1 3.73Å; H136-V163 HydrophobicContact CB-CG2 4.33Å; L159-V163 HydrophobicContact CD1-CB 4.09Å; L159-V163 HydrophobicContact CD1-CG2 3.73Å; V163-A165 HydrophobicContact CG1-CB 4.26Å |
| 164 | I | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.9 | 169.8 | -68.8 | 156.1 | 0 | 0 | 0 | 108.6 | L98 V99 I100 R127 V162 F192 I246 | L98-I164 HydrophobicContact CB-CG2 4.41Å; L98-I164 HydrophobicContact CD1-CG2 4.34Å; L98-I164 HydrophobicContact CD2-CG2 4.19Å; V99-I164 WeakPolarHBondContact O-CA 3.46Å; I100-I164 HydrophobicContact CG1-CG1 3.8Å; R127-I164 WeakPolarHBondContact CG-O 3.16Å; R127-I164 PolarHBondContact NE-O 2.95Å; R127-I164 VanDerWaalsContact NE-O 3.13Å; V162-I164 HydrophobicContact CG2-CD1 4.3Å; V162-I164 HydrophobicContact CG2-CG1 4.16Å; I164-F192 HydrophobicContact CD1-CD1 4.42Å; I164-F192 HydrophobicContact CD1-CD2 4.13Å; I164-F192 HydrophobicContact CD1-CE1 4.01Å; I164-F192 HydrophobicContact CD1-CE2 3.7Å; I164-F192 HydrophobicContact CD1-CG 4.46Å; I164-F192 HydrophobicContact CD1-CZ 3.62Å; I164-F192 HydrophobicContact CG1-CD1 4.44Å; I164-F192 HydrophobicContact CG1-CD2 4.2Å; I164-F192 HydrophobicContact CG1-CE2 4.28Å; I164-F192 HydrophobicContact CG1-CG 4.27Å; I164-F192 HydrophobicContact CG1-CZ 4.43Å; I164-F192 HydrophobicContact CG2-CD1 3.71Å; I164-F192 HydrophobicContact CG2-CE1 4.04Å; I164-F192 HydrophobicContact CG2-CG 4.15Å; I164-I246 HydrophobicContact CD1-CD1 4.08Å; I164-I246 HydrophobicContact CD1-CG2 4.16Å; I164-I246 HydrophobicContact CG2-CD1 4.5Å |
| 165 | A | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L98 V99 I101 Y125 V163 | L98-A165 WeakPolarHBondContact CA-O 3.49Å; V99-A165 WeakPolarHBondContact CG2-O 3.32Å; V99-A165 PolarHBondContact N-O 2.82Å; V99-A165 PolarHBondContact O-N 2.85Å; I101-A165 HydrophobicContact CD1-CB 4.24Å; Y125-A165 HydrophobicContact CD2-CB 4.3Å; Y125-A165 HydrophobicContact CG-CB 4.42Å; V163-A165 HydrophobicContact CG1-CB 4.26Å |
| 166 | K | 97.2 | Very high | 91.6 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 15% | 0.148 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -36.1 | 162.4 | -171.5 | 178.6 | -175.7 | 178.4 | 0 | 110.8 | F95 L98 Q126 R127 D129 | F95-K166 PolarHBondContact N-O 2.75Å; F95-K166 VanDerWaalsContact O-CG 3.31Å; F95-K166 WeakPolarHBondContact O-CG 3.12Å; L98-K166 HydrophobicContact CD2-CB 4.08Å; Q126-K166 PolarHBondContact O-N 3.43Å; R127-K166 VanDerWaalsContact O-CB 3.28Å; R127-K166 WeakPolarHBondContact O-CB 3.48Å; D129-K166 IonicContact OD1-NZ 2.7Å; D129-K166 PolarHBondContact OD1-NZ 2.88Å; D129-K166 IonicContact OD2-NZ 3.69Å; D129-K166 PolarHBondContact OD2-NZ 2.79Å |
| 167 | R | 97.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.1 | 168.6 | -59.2 | -178.6 | -178.9 | 73.9 | 18.8 | 110.9 | A93 E94 Y125 Q126 D129 W133 | A93-R167 WeakPolarHBondContact O-CA 3.26Å; E94-R167 HydrophobicContact CB-CG 4.29Å; E94-R167 HydrophobicContact CG-CG 3.92Å; E94-R167 IonicContact OE1-CZ 3.56Å; E94-R167 VanDerWaalsContact OE1-CZ 3.31Å; E94-R167 IonicContact OE1-NE 3.69Å; E94-R167 PolarHBondContact OE1-NE 3.43Å; E94-R167 IonicContact OE1-NH2 3.64Å; E94-R167 PolarHBondContact OE1-NH2 2.68Å; E94-R167 WeakPolarHBondContact OE2-CD 3.34Å; E94-R167 IonicContact OE2-CZ 2.72Å; E94-R167 IonicContact OE2-NE 2.69Å; E94-R167 PolarHBondContact OE2-NE 2.73Å; E94-R167 IonicContact OE2-NH2 3.58Å; Y125-R167 CarbonylContact C-O 3.51Å; Y125-R167 VanDerWaalsContact CA-O 3.23Å; Y125-R167 WeakPolarHBondContact CA-O 3.36Å; Y125-R167 WeakPolarHBondContact CB-O 3.5Å; Q126-R167 HydrophobicContact CB-CB 4.22Å; Q126-R167 PolarHBondContact N-O 3.29Å; Q126-R167 PolarHBondContact O-N 2.04Å; D129-R167 IonicContact OD1-CZ 2.69Å; D129-R167 IonicContact OD1-NH1 2.83Å; D129-R167 PolarHBondContact OD1-NH1 2.82Å; D129-R167 IonicContact OD1-NH2 3.22Å; D129-R167 PolarHBondContact OD1-NH2 2.68Å; W133-R167 HydrophobicContact CH2-CB 3.77Å; W133-R167 HydrophobicContact CZ2-CB 4.45Å; W133-R167 HydrophobicContact CZ3-CB 4.42Å |
| 168 | I | 98.1 | Very high | 89.3 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138.1 | 174.7 | -177.8 | 167.3 | 0 | 0 | 0 | 109.3 | Q92 A93 F95 I101 I104 L123 L187 | Q92-I168 CarbonylContact C-O 3.39Å; Q92-I168 VanDerWaalsContact CA-O 3.24Å; Q92-I168 WeakPolarHBondContact CA-O 3.47Å; A93-I168 HydrophobicContact CB-CG2 3.74Å; A93-I168 PolarHBondContact N-O 2.81Å; A93-I168 PolarHBondContact O-N 2.81Å; F95-I168 HydrophobicContact CE2-CG2 3.98Å; I101-I168 HydrophobicContact CD1-CB 4.17Å; I101-I168 HydrophobicContact CD1-CD1 3.49Å; I101-I168 VanDerWaalsContact CD1-CD1 3.49Å; I101-I168 HydrophobicContact CD1-CG1 4.43Å; I101-I168 HydrophobicContact CD1-CG2 4.18Å; I101-I168 HydrophobicContact CG2-CD1 4.31Å; I104-I168 HydrophobicContact CD1-CD1 4.45Å; L123-I168 HydrophobicContact CD1-CD1 3.85Å; L123-I168 HydrophobicContact CD1-CG1 3.82Å; L123-I168 HydrophobicContact CD2-CD1 4.1Å; L123-I168 HydrophobicContact CG-CD1 4.28Å; L123-I168 HydrophobicContact CG-CG1 4.32Å; I168-L187 HydrophobicContact CD1-CD2 4.4Å; I168-L187 HydrophobicContact CG2-CD1 3.88Å |
| 169 | R | 98 | Very high | 88.8 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 18% | 0.177 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.4 | 176.7 | -80.9 | -179.6 | -176.9 | 166.8 | 3 | 111.4 | W90 I91 Q92 R124 W133 Y171 | W90-R169 HydrophobicContact CD2-CG 4.43Å; W90-R169 HydrophobicContact CE3-CG 4.07Å; I91-R169 CarbonylContact O-C 3.58Å; I91-R169 VanDerWaalsContact O-CA 3.27Å; I91-R169 WeakPolarHBondContact O-CA 3.4Å; Q92-R169 HydrophobicContact CB-CG 3.85Å; Q92-R169 HydrophobicContact CG-CG 4.13Å; Q92-R169 VanDerWaalsContact OE1-CZ 3.24Å; R124-R169 PolarHBondContact N-O 2.96Å; R124-R169 PolarHBondContact O-N 3.37Å; W133-R169 HydrophobicContact CH2-CB 4.46Å; W133-R169 HydrophobicContact CH2-CG 3.65Å; W133-R169 VanDerWaalsContact CZ2-CZ 3.43Å; W133-R169 HydrophobicContact CZ3-CB 3.95Å; W133-R169 HydrophobicContact CZ3-CG 3.63Å; R169-Y171 HydrophobicContact CB-CD2 4.09Å; R169-Y171 HydrophobicContact CB-CE2 3.53Å; R169-Y171 WeakPolarHBondContact CD-OH 3.42Å; R169-Y171 HydrophobicContact CG-CE2 4.41Å |
| 170 | I | 98.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.1 | 170.7 | -59.1 | 173.7 | 0 | 0 | 0 | 107.4 | W90 I91 I104 M118 F121 L123 L183 F185 | W90-I170 WeakPolarHBondContact CA-O 3.28Å; I91-I170 HydrophobicContact CG2-CB 4.01Å; I91-I170 PolarHBondContact N-O 3.18Å; I91-I170 VanDerWaalsContact N-O 3.09Å; I91-I170 PolarHBondContact O-N 2.77Å; I104-I170 HydrophobicContact CG2-CD1 4.47Å; M118-I170 HydrophobicContact CE-CG2 3.92Å; M118-I170 HydrophobicContact SD-CG2 3.92Å; F121-I170 HydrophobicContact CB-CG2 3.86Å; F121-I170 HydrophobicContact CD2-CG2 3.93Å; F121-I170 HydrophobicContact CG-CG2 4.07Å; L123-I170 HydrophobicContact CD1-CG1 3.78Å; I170-L183 HydrophobicContact CB-CD2 4.49Å; I170-L183 HydrophobicContact CD1-CD2 4.33Å; I170-L183 HydrophobicContact CG2-CD2 3.96Å; I170-F185 HydrophobicContact CD1-CB 4.21Å; I170-F185 HydrophobicContact CD1-CD1 4.2Å; I170-F185 HydrophobicContact CD1-CD2 3.66Å; I170-F185 HydrophobicContact CD1-CE2 4.01Å; I170-F185 HydrophobicContact CD1-CG 3.77Å; I170-F185 HydrophobicContact CD1-CZ 4.42Å |
| 171 | Y | 97 | Very high | 89.3 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.5 | 175.1 | -70.4 | -99.7 | 0 | 0 | 0 | 109.4 | L87 E89 W90 F121 V122 R124 R169 | L87-Y171 HydrophobicContact CB-CD1 3.88Å; L87-Y171 HydrophobicContact CB-CE1 4.49Å; L87-Y171 HydrophobicContact CB-CG 4.44Å; L87-Y171 WeakPolarHBondContact O-CD1 3.48Å; L87-Y171 VanDerWaalsContact O-CE1 3.26Å; L87-Y171 WeakPolarHBondContact O-CE1 3.22Å; E89-Y171 VanDerWaalsContact O-CD1 3.3Å; E89-Y171 WeakPolarHBondContact O-CD1 3.38Å; W90-Y171 HydrophobicContact CB-CD1 3.78Å; W90-Y171 HydrophobicContact CB-CD2 4.33Å; W90-Y171 HydrophobicContact CB-CE1 3.67Å; W90-Y171 HydrophobicContact CB-CE2 4.2Å; W90-Y171 HydrophobicContact CB-CG 4.11Å; W90-Y171 AromaticContact CD1-CE1 3.69Å; W90-Y171 AromaticContact CG-CE1 3.97Å; W90-Y171 HydrophobicContact CG-CE1 3.97Å; F121-Y171 CarbonylContact C-O 3.56Å; F121-Y171 WeakPolarHBondContact CA-O 3.22Å; F121-Y171 WeakPolarHBondContact CB-O 3.24Å; V122-Y171 PolarHBondContact N-O 3.02Å; V122-Y171 WeakPolarHBondContact O-CB 3.33Å; V122-Y171 PolarHBondContact O-N 3Å; R124-Y171 HydrophobicContact CB-CD2 4.46Å; R124-Y171 HydrophobicContact CB-CE2 3.95Å; R124-Y171 HydrophobicContact CG-CD2 4.27Å; R124-Y171 HydrophobicContact CG-CE2 3.97Å; R169-Y171 HydrophobicContact CB-CD2 4.09Å; R169-Y171 HydrophobicContact CB-CE2 3.53Å; R169-Y171 WeakPolarHBondContact CD-OH 3.42Å; R169-Y171 HydrophobicContact CG-CE2 4.41Å |
| 172 | P | 95.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 140.5 | 175 | -26.1 | 36.2 | 0 | 0 | 0 | 112.3 | W77 V83 E89 M118 V181 | W77-P172 HydrophobicContact CH2-CG 3.93Å; W77-P172 HydrophobicContact CZ3-CG 3.73Å; V83-P172 HydrophobicContact CG1-CB 4.19Å; V83-P172 WeakPolarHBondContact CG1-O 3.34Å; V83-P172 HydrophobicContact CG2-CB 3.57Å; E89-P172 WeakPolarHBondContact O-CD 3.07Å; M118-P172 HydrophobicContact CG-CB 4.05Å; M118-P172 HydrophobicContact SD-CB 3.96Å; M118-P172 HydrophobicContact SD-CG 3.92Å; P172-V181 HydrophobicContact CB-CG2 4.06Å; P172-V181 HydrophobicContact CG-CG2 4.22Å |
| 173 | Y | 94.6 | Very high | 90.4 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.8 | -172.9 | -178.1 | -95.8 | 0 | 0 | 0 | 113.4 | D85 L87 N120 V122 V144 H175 | D85-Y173 HydrophobicContact CB-CE2 4.16Å; D85-Y173 WeakPolarHBondContact OD1-CE2 3.09Å; D85-Y173 PolarHBondContact OD1-OH 2.98Å; L87-Y173 HydrophobicContact CD2-CD2 3.9Å; N120-Y173 HydrophobicContact CB-CD1 4.16Å; N120-Y173 WeakPolarHBondContact CB-O 3.28Å; N120-Y173 PolarHBondContact ND2-O 2.92Å; N120-Y173 PolarHBondContact O-N 3.01Å; V122-Y173 HydrophobicContact CG2-CD2 4.44Å; V122-Y173 HydrophobicContact CG2-CG 4.5Å; V144-Y173 HydrophobicContact CB-CD1 4.29Å; V144-Y173 HydrophobicContact CB-CE1 4.33Å; V144-Y173 HydrophobicContact CG1-CD1 3.38Å; V144-Y173 HydrophobicContact CG1-CE1 3.72Å; V144-Y173 HydrophobicContact CG1-CG 4.28Å; V144-Y173 HydrophobicContact CG2-CD1 3.85Å; V144-Y173 HydrophobicContact CG2-CE1 3.65Å; V144-Y173 HydrophobicContact CG2-CG 4.38Å; Y173-H175 HydrophobicContact CE1-CB 4.39Å |
| 174 | S | 89.4 | Confident | 90.4 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | trans | -153 | 119.6 | 171.4 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | R176 S177 | S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 3.49Å; S174-S177 PolarHBondContact OG-N 3.11Å; S174-S177 VanDerWaalsContact OG-N 3.13Å; S174-S177 PolarHBondContact OG-O 3.41Å; S174-S177 PolarHBondContact OG-OG 3.44Å | ||
| 175 | H | 79.2 | Confident | 90.4 | Very high | 118 Ų | 118 | 40.9 Ų | 40.9 | 55% | 0.546 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -79 | -10.8 | 179.6 | -177.1 | 50.8 | 0 | 0 | 0 | 114.2 | D85 Y173 | D85-H175 VanDerWaalsContact OD1-CA 3.28Å; D85-H175 WeakPolarHBondContact OD1-CA 2.97Å; D85-H175 IonicContact OD1-CG 3.92Å; D85-H175 IonicContact OD1-ND1 3.55Å; D85-H175 IonicContact OD2-CE1 3.76Å; D85-H175 IonicContact OD2-CG 3.83Å; D85-H175 IonicContact OD2-ND1 2.84Å; D85-H175 PolarHBondContact OD2-ND1 2.86Å; Y173-H175 HydrophobicContact CE1-CB 4.39Å |
| 176 | R | 71.1 | Confident | 90.3 | Very high | 229 Ų | 229 | 40.9 Ų | 40.9 | 86% | 0.864 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -138.3 | -11.3 | -171.7 | -66.1 | -171.7 | -178.9 | 177.3 | 2.2 | 116.1 | S174 | S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 3.49Å |
| 177 | S | 66.9 | Low | 90.3 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 30% | 0.301 | 17% | 0.167 | S | C | . | . | trans | -129.7 | 113.6 | -178.4 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | S174 Q179 | S174-S177 PolarHBondContact OG-N 3.11Å; S174-S177 VanDerWaalsContact OG-N 3.13Å; S174-S177 PolarHBondContact OG-O 3.41Å; S174-S177 PolarHBondContact OG-OG 3.44Å; S177-Q179 PolarHBondContact O-N 2.91Å | ||
| 178 | R | 75.7 | Confident | 90.1 | Very high | 187 Ų | 187 | 39.9 Ų | 39.9 | 71% | 0.706 | 17% | 0.169 | S | C | * | . | trans | -71.6 | 73.1 | 157 | -74.7 | -179.3 | 172.9 | 141.8 | -0.7 | 108.8 | H82 E84 | H82-R178 HydrophobicContact CB-CB 4.06Å; H82-R178 HydrophobicContact CB-CG 4.38Å; H82-R178 PolarHBondContact CD2-O 3.2Å; E84-R178 HydrophobicContact CG-CG 4.32Å; E84-R178 IonicContact OE1-CZ 3.15Å; E84-R178 IonicContact OE1-NE 2.75Å; E84-R178 PolarHBondContact OE1-NE 2.99Å; E84-R178 IonicContact OE1-NH2 2.7Å; E84-R178 PolarHBondContact OE1-NH2 3.1Å | ||
| 179 | Q | 79.7 | Confident | 89.8 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | trans | -96.9 | 142.8 | 174.2 | -175.5 | 173.7 | -13.7 | 0 | 0 | 108.8 | K115 S177 V181 | K115-Q179 PolarHBondContact O-NE2 3.46Å; S177-Q179 PolarHBondContact O-N 2.91Å; Q179-V181 PolarHBondContact O-N 2.9Å | ||
| 180 | Q | 89.2 | Confident | 89.6 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | trans | -68.5 | 113.2 | 164.1 | -179 | 62.3 | 55 | 0 | 0 | 107.5 | P79 E116 | P79-Q180 PolarHBondContact O-NE2 2.9Å; E116-Q180 HydrophobicContact CG-CB 4.43Å; E116-Q180 HydrophobicContact CG-CG 4.15Å | ||
| 181 | V | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | trans | -90.8 | 156.2 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | P79 V83 Y117 P172 Q179 | P79-V181 HydrophobicContact CG-CG2 3.62Å; V83-V181 HydrophobicContact CB-CG1 4.09Å; V83-V181 HydrophobicContact CG2-CB 4.05Å; V83-V181 HydrophobicContact CG2-CG1 3.42Å; V83-V181 VanDerWaalsContact CG2-CG1 3.42Å; V83-V181 HydrophobicContact CG2-CG2 3.42Å; V83-V181 VanDerWaalsContact CG2-CG2 3.42Å; Y117-V181 VanDerWaalsContact O-CG1 3.31Å; Y117-V181 WeakPolarHBondContact O-CG1 3.48Å; P172-V181 HydrophobicContact CB-CG2 4.06Å; P172-V181 HydrophobicContact CG-CG2 4.22Å; Q179-V181 PolarHBondContact O-N 2.9Å | ||
| 182 | C | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -141.5 | 153.5 | 160.9 | -64.8 | 0 | 0 | 0 | 0 | 107.4 | A76 W77 C78 R109 E116 Y117 | A76-C182 HydrophobicContact CB-CB 4Å; W77-C182 CarbonylContact O-C 3.3Å; W77-C182 WeakPolarHBondContact O-CA 3.45Å; C78-C182 HydrophobicContact CB-CB 4.13Å; C78-C182 WeakPolarHBondContact CB-SG 3.17Å; C78-C182 WeakPolarHBondContact SG-CB 3.14Å; C78-C182 CovalentContact SG-SG 2.04Å; C78-C182 PolarHBondContact SG-SG 2.85Å; R109-C182 HydrophobicContact CB-CB 3.86Å; R109-C182 HydrophobicContact CG-CB 4.41Å; E116-C182 HydrophobicContact CB-CB 3.82Å; E116-C182 VanDerWaalsContact CB-SG 3.51Å; Y117-C182 WeakPolarHBondContact CA-O 3.3Å | ||
| 183 | L | 95.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -139.7 | 130.9 | -172.6 | 179.9 | 65.2 | 0 | 0 | 0 | 111.2 | A60 W77 I91 T106 M118 I170 F185 | A60-L183 WeakPolarHBondContact CB-O 3.15Å; W77-L183 HydrophobicContact CE3-CB 4.15Å; W77-L183 HydrophobicContact CE3-CD2 4.39Å; W77-L183 PolarHBondContact N-O 3.19Å; W77-L183 PolarHBondContact O-N 2.94Å; I91-L183 HydrophobicContact CG2-CD2 3.95Å; T106-L183 HydrophobicContact CG2-CD1 3.94Å; M118-L183 HydrophobicContact CB-CD1 4.26Å; M118-L183 HydrophobicContact CE-CD1 3.69Å; M118-L183 HydrophobicContact CE-CD2 4.12Å; M118-L183 HydrophobicContact SD-CD1 4.16Å; M118-L183 HydrophobicContact SD-CD2 3.96Å; I170-L183 HydrophobicContact CB-CD2 4.49Å; I170-L183 HydrophobicContact CD1-CD2 4.33Å; I170-L183 HydrophobicContact CG2-CD2 3.96Å; L183-F185 HydrophobicContact CD1-CB 4.46Å; L183-F185 HydrophobicContact CD2-CD1 4.2Å; L183-F185 HydrophobicContact CG-CB 4.44Å; L183-F185 HydrophobicContact CG-CD1 4.35Å |
| 184 | R | 94.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.2 | 151.7 | -61.5 | 178 | -71 | 156.8 | 11.3 | 108.3 | A60 L62 E64 T72 Y75 A76 T106 A107 G108 | A60-R184 CarbonylContact O-C 3.5Å; A60-R184 WeakPolarHBondContact O-CA 3.38Å; L62-R184 HydrophobicContact CB-CB 4.05Å; L62-R184 HydrophobicContact CD1-CB 3.98Å; L62-R184 HydrophobicContact CG-CB 4.48Å; E64-R184 VanDerWaalsContact CD-NH1 3.34Å; E64-R184 IonicContact OE1-CZ 2.69Å; E64-R184 IonicContact OE1-NH1 3.89Å; E64-R184 PolarHBondContact OE1-NH1 3.11Å; E64-R184 IonicContact OE1-NH2 3.2Å; E64-R184 IonicContact OE2-NH1 2.77Å; E64-R184 IonicContact OE2-NH2 2.76Å; T72-R184 PolarHBondContact OG1-NH1 2.52Å; Y75-R184 VanDerWaalsContact O-CD 3.28Å; Y75-R184 WeakPolarHBondContact O-CD 3.29Å; A76-R184 HydrophobicContact CB-CG 3.76Å; T106-R184 CarbonylContact C-O 3.46Å; T106-R184 WeakPolarHBondContact CA-O 3.33Å; A107-R184 HydrophobicContact CB-CB 4.38Å; A107-R184 PolarHBondContact N-O 3.37Å; A107-R184 PolarHBondContact O-N 2.95Å; G108-R184 PolarHBondContact O-NE 2.88Å; G108-R184 PolarHBondContact O-NH2 3.29Å |
| 185 | F | 96.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.2 | 177.6 | 72.6 | -78.8 | 0 | 0 | 0 | 112.5 | I32 F43 A60 L62 I91 A93 F105 T106 I170 L183 L187 | I32-F185 HydrophobicContact CD1-CD2 3.81Å; I32-F185 HydrophobicContact CD1-CE2 3.6Å; I32-F185 HydrophobicContact CD1-CZ 4.17Å; I32-F185 WeakPolarHBondContact CD1-O 3.45Å; F43-F185 HydrophobicContact CD1-CE1 4.45Å; F43-F185 HydrophobicContact CD1-CZ 4.25Å; F43-F185 HydrophobicContact CE1-CE1 4.05Å; F43-F185 AromaticContact CE1-CZ 3.79Å; F43-F185 HydrophobicContact CE1-CZ 3.79Å; A60-F185 HydrophobicContact CB-CD1 3.83Å; A60-F185 HydrophobicContact CB-CE1 3.77Å; A60-F185 PolarHBondContact O-N 3.16Å; L62-F185 VanDerWaalsContact CB-O 3.29Å; L62-F185 WeakPolarHBondContact CB-O 3.47Å; L62-F185 PolarHBondContact N-O 3.49Å; I91-F185 HydrophobicContact CD1-CE1 3.89Å; I91-F185 HydrophobicContact CG1-CE1 4.16Å; I91-F185 HydrophobicContact CG2-CE1 4.16Å; A93-F185 HydrophobicContact CB-CE2 4.37Å; A93-F185 HydrophobicContact CB-CZ 4.21Å; F105-F185 CarbonylContact O-C 3.45Å; F105-F185 WeakPolarHBondContact O-CA 3.36Å; F105-F185 WeakPolarHBondContact O-CB 3.48Å; T106-F185 HydrophobicContact CG2-CB 4.3Å; I170-F185 HydrophobicContact CD1-CB 4.21Å; I170-F185 HydrophobicContact CD1-CD1 4.2Å; I170-F185 HydrophobicContact CD1-CD2 3.66Å; I170-F185 HydrophobicContact CD1-CE2 4.01Å; I170-F185 HydrophobicContact CD1-CG 3.77Å; I170-F185 HydrophobicContact CD1-CZ 4.42Å; L183-F185 HydrophobicContact CD1-CB 4.46Å; L183-F185 HydrophobicContact CD2-CD1 4.2Å; L183-F185 HydrophobicContact CG-CB 4.44Å; L183-F185 HydrophobicContact CG-CD1 4.35Å; F185-L187 HydrophobicContact CD2-CD1 4.45Å; F185-L187 HydrophobicContact CD2-CD2 4.09Å; F185-L187 HydrophobicContact CD2-CG 3.93Å; F185-L187 HydrophobicContact CE2-CD1 3.93Å; F185-L187 HydrophobicContact CE2-CD2 4.33Å; F185-L187 HydrophobicContact CE2-CG 3.91Å |
| 186 | A | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | L62 V65 Y66 F105 | L62-A186 HydrophobicContact CB-CB 4.04Å; V65-A186 HydrophobicContact CB-CB 4.22Å; V65-A186 HydrophobicContact CG2-CB 4.41Å; Y66-A186 HydrophobicContact CE1-CB 4.08Å; Y66-A186 HydrophobicContact CE2-CB 3.92Å; F105-A186 HydrophobicContact CB-CB 4.19Å; F105-A186 PolarHBondContact N-O 3.24Å; F105-A186 PolarHBondContact O-N 3.38Å |
| 187 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142 | 179.1 | -64.1 | 178.4 | 0 | 0 | 0 | 110.3 | L31 I32 Y66 A93 F95 I101 I104 I168 F185 | L31-L187 HydrophobicContact CB-CB 4.01Å; L31-L187 HydrophobicContact CD1-CB 4.31Å; L31-L187 PolarHBondContact N-O 2.84Å; I32-L187 HydrophobicContact CD1-CG 4.23Å; I32-L187 HydrophobicContact CG1-CB 4.4Å; I32-L187 HydrophobicContact CG2-CD1 4.3Å; Y66-L187 PolarHBondContact OH-N 3.16Å; Y66-L187 PolarHBondContact OH-O 3.35Å; A93-L187 HydrophobicContact CB-CD1 4.35Å; F95-L187 HydrophobicContact CE2-CD1 4.34Å; F95-L187 HydrophobicContact CZ-CD1 3.86Å; I101-L187 HydrophobicContact CG2-CD2 4.26Å; I104-L187 HydrophobicContact CB-CD2 4.3Å; I104-L187 HydrophobicContact CD1-CD2 4.25Å; I104-L187 HydrophobicContact CG1-CD2 3.78Å; I104-L187 HydrophobicContact CG2-CD2 4.05Å; I168-L187 HydrophobicContact CD1-CD2 4.4Å; I168-L187 HydrophobicContact CG2-CD1 3.88Å; F185-L187 HydrophobicContact CD2-CD1 4.45Å; F185-L187 HydrophobicContact CD2-CD2 4.09Å; F185-L187 HydrophobicContact CD2-CG 3.93Å; F185-L187 HydrophobicContact CE2-CD1 3.93Å; F185-L187 HydrophobicContact CE2-CD2 4.33Å; F185-L187 HydrophobicContact CE2-CG 3.91Å |
| 188 | Y | 93.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 23.9 Ų | 23.9 | 17% | 0.173 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.1 | -179.1 | -91.4 | -104.5 | 0 | 0 | 0 | 109.4 | A28 D29 P30 V65 Y66 S102 V103 F105 | A28-Y188 HydrophobicContact CB-CD1 4.37Å; A28-Y188 WeakPolarHBondContact O-CD1 3.38Å; A28-Y188 WeakPolarHBondContact O-CE1 3.15Å; D29-Y188 WeakPolarHBondContact O-CA 3.23Å; P30-Y188 HydrophobicContact CG-CE1 4.46Å; V65-Y188 HydrophobicContact CG1-CE2 3.64Å; Y66-Y188 AromaticContact CD1-CE2 3.76Å; Y66-Y188 HydrophobicContact CD1-CE2 3.76Å; Y66-Y188 AromaticContact CD1-CZ 3.88Å; Y66-Y188 AromaticContact CE1-CD2 3.9Å; Y66-Y188 HydrophobicContact CE1-CD2 3.9Å; Y66-Y188 AromaticContact CE1-CE2 3.28Å; Y66-Y188 HydrophobicContact CE1-CE2 3.28Å; Y66-Y188 AromaticContact CE1-CZ 3.79Å; S102-Y188 PolarHBondContact N-O 3.13Å; S102-Y188 PolarHBondContact OG-O 3.17Å; V103-Y188 PolarHBondContact N-O 2.84Å; V103-Y188 PolarHBondContact O-N 3Å; F105-Y188 AromaticContact CD2-CD2 3.6Å; F105-Y188 HydrophobicContact CD2-CD2 3.6Å; F105-Y188 AromaticContact CD2-CE2 3.81Å; F105-Y188 HydrophobicContact CD2-CE2 3.81Å; F105-Y188 HydrophobicContact CD2-CG 4.49Å; F105-Y188 AromaticContact CE2-CD2 3.49Å; F105-Y188 HydrophobicContact CE2-CD2 3.49Å; F105-Y188 VanDerWaalsContact CE2-CD2 3.49Å; F105-Y188 AromaticContact CE2-CE2 3.6Å; F105-Y188 HydrophobicContact CE2-CE2 3.6Å; F105-Y188 HydrophobicContact CE2-CG 4.06Å |
| 189 | G | 92.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | -141.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C27 A28 D29 I100 | C27-G189 CarbonylContact C-O 3.53Å; A28-G189 CarbonylContact C-O 3.51Å; A28-G189 PolarHBondContact N-O 3.44Å; D29-G189 WeakPolarHBondContact CB-O 3.39Å; D29-G189 PolarHBondContact N-O 3.1Å; D29-G189 PolarHBondContact O-N 3.07Å; D29-G189 VanDerWaalsContact O-N 3.14Å; I100-G189 CarbonylContact O-C 3.54Å; I100-G189 WeakPolarHBondContact O-CA 3.38Å |
| 190 | C | 91.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 166.3 | 174.9 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | P21 C27 V99 I100 | P21-C190 HydrophobicContact CG-CB 4.36Å; C27-C190 HydrophobicContact CB-CB 3.95Å; C27-C190 WeakPolarHBondContact CB-SG 3.03Å; C27-C190 WeakPolarHBondContact SG-CB 3.48Å; C27-C190 PolarHBondContact SG-N 2.76Å; C27-C190 CovalentContact SG-SG 2.04Å; C27-C190 PolarHBondContact SG-SG 3Å; V99-C190 CarbonylContact C-O 3.49Å; V99-C190 WeakPolarHBondContact CA-O 3.5Å; I100-C190 PolarHBondContact N-O 3.19Å; I100-C190 PolarHBondContact O-N 2.69Å |
| 191 | N | 92.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 12.3 Ų | 12.3 | 41% | 0.406 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 147.3 | 177.7 | -50.7 | -2.3 | 0 | 0 | 0 | 110.5 | P21 H97 P193 | P21-N191 HydrophobicContact CG-CB 4.08Å; H97-N191 VanDerWaalsContact NE2-CG 3.26Å; H97-N191 PolarHBondContact NE2-ND2 3.2Å; H97-N191 PolarHBondContact NE2-OD1 2.94Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å |
| 192 | F | 93.7 | Very high | 95.3 | Very high | 11 Ų | 11 | 14.8 Ų | 14.8 | 5% | 0.048 | 9% | 0.085 | C | C | . | . | trans | -107.9 | 84.6 | 178.6 | -171.8 | -112.9 | 0 | 0 | 0 | 110.5 | L98 I100 I164 D194 V196 M250 | L98-F192 HydrophobicContact CB-CB 4Å; L98-F192 HydrophobicContact CB-CD1 4.2Å; L98-F192 HydrophobicContact CD1-CD1 4.06Å; L98-F192 PolarHBondContact O-N 2.86Å; I100-F192 HydrophobicContact CD1-CD2 3.75Å; I100-F192 HydrophobicContact CD1-CE2 4.37Å; I100-F192 HydrophobicContact CG1-CB 4.31Å; I100-F192 HydrophobicContact CG1-CD2 3.83Å; I100-F192 HydrophobicContact CG1-CG 4.39Å; I164-F192 HydrophobicContact CD1-CD1 4.42Å; I164-F192 HydrophobicContact CD1-CD2 4.13Å; I164-F192 HydrophobicContact CD1-CE1 4.01Å; I164-F192 HydrophobicContact CD1-CE2 3.7Å; I164-F192 HydrophobicContact CD1-CG 4.46Å; I164-F192 HydrophobicContact CD1-CZ 3.62Å; I164-F192 HydrophobicContact CG1-CD1 4.44Å; I164-F192 HydrophobicContact CG1-CD2 4.2Å; I164-F192 HydrophobicContact CG1-CE2 4.28Å; I164-F192 HydrophobicContact CG1-CG 4.27Å; I164-F192 HydrophobicContact CG1-CZ 4.43Å; I164-F192 HydrophobicContact CG2-CD1 3.71Å; I164-F192 HydrophobicContact CG2-CE1 4.04Å; I164-F192 HydrophobicContact CG2-CG 4.15Å; F192-D194 VanDerWaalsContact C-N 3.3Å; F192-D194 HydrophobicContact CD1-CB 4.46Å; F192-D194 HydrophobicContact CE1-CB 3.97Å; F192-D194 HydrophobicContact CE2-CB 4.17Å; F192-D194 HydrophobicContact CZ-CB 3.82Å; F192-D194 PolarHBondContact O-N 3.13Å; F192-V196 HydrophobicContact CE1-CB 4.21Å; F192-V196 WeakPolarHBondContact CE1-O 3.24Å; F192-V196 HydrophobicContact CZ-CB 4.49Å; F192-M250 HydrophobicContact CZ-CB 4.35Å; F192-M250 HydrophobicContact CZ-CE 3.93Å | ||
| 193 | P | 92.2 | Very high | 95.4 | Very high | 68 Ų | 68 | 15.6 Ų | 15.6 | 44% | 0.442 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.5 | -170.2 | 28.1 | -36.3 | 0 | 0 | 0 | 113 | P21 N191 G195 R294 | P21-P193 HydrophobicContact CB-CG 4.32Å; N191-P193 WeakPolarHBondContact O-CD 3.5Å; P193-G195 PolarHBondContact O-N 2.84Å; P193-R294 PolarHBondContact O-NH1 2.89Å |
| 194 | D | 93.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 4% | 0.043 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -36.4 | 180 | -80.8 | 66.1 | 0 | 0 | 0 | 114.2 | F192 V196 M250 F290 Q428 F429 | F192-D194 VanDerWaalsContact C-N 3.3Å; F192-D194 HydrophobicContact CD1-CB 4.46Å; F192-D194 HydrophobicContact CE1-CB 3.97Å; F192-D194 HydrophobicContact CE2-CB 4.17Å; F192-D194 HydrophobicContact CZ-CB 3.82Å; F192-D194 PolarHBondContact O-N 3.13Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 PolarHBondContact O-N 3.2Å; D194-M250 HydrophobicContact CB-CE 4.12Å; D194-F290 WeakPolarHBondContact O-CD1 3.34Å; D194-F290 VanDerWaalsContact O-CE1 3.29Å; D194-F290 WeakPolarHBondContact O-CE1 3.31Å; D194-Q428 PolarHBondContact OD1-NE2 2.83Å; D194-Q428 WeakPolarHBondContact OD2-CA 3.28Å; D194-Q428 WeakPolarHBondContact OD2-CG 3.16Å; D194-F429 PolarHBondContact OD2-N 2.86Å |
| 195 | G | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 78.3 | -0.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | P193 I197 F290 D291 R294 | P193-G195 PolarHBondContact O-N 2.84Å; G195-I197 PolarHBondContact O-N 3.13Å; G195-F290 CarbonylContact O-C 3.58Å; G195-F290 WeakPolarHBondContact O-CA 3.35Å; G195-D291 PolarHBondContact O-N 3.25Å; G195-R294 VanDerWaalsContact CA-CZ 3.44Å | ||
| 196 | V | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 131 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | F192 D194 I246 M250 F288 F290 F429 | F192-V196 HydrophobicContact CE1-CB 4.21Å; F192-V196 WeakPolarHBondContact CE1-O 3.24Å; F192-V196 HydrophobicContact CZ-CB 4.49Å; D194-V196 VanDerWaalsContact C-N 3.27Å; D194-V196 PolarHBondContact O-N 3.2Å; V196-I246 HydrophobicContact CG1-CD1 4.32Å; V196-I246 WeakPolarHBondContact O-CD1 3.18Å; V196-M250 HydrophobicContact CB-CE 4.16Å; V196-M250 HydrophobicContact CB-SD 4.48Å; V196-M250 HydrophobicContact CG1-CG 4.22Å; V196-M250 HydrophobicContact CG1-SD 4.49Å; V196-M250 HydrophobicContact CG2-CE 3.77Å; V196-M250 HydrophobicContact CG2-SD 4.11Å; V196-F288 HydrophobicContact CG1-CD1 4.08Å; V196-F288 HydrophobicContact CG2-CD1 4.16Å; V196-F290 HydrophobicContact CG2-CD1 4.07Å; V196-F290 HydrophobicContact CG2-CE1 3.47Å; V196-F290 VanDerWaalsContact CG2-CE1 3.47Å; V196-F290 HydrophobicContact CG2-CZ 3.83Å; V196-F429 HydrophobicContact CG2-CD2 3.97Å; V196-F429 HydrophobicContact CG2-CE2 4.22Å |
| 197 | I | 96.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -21.8 | 178.7 | 50.5 | 167.8 | 0 | 0 | 0 | 113.3 | L98 R127 E128 G195 K289 F290 D291 | L98-I197 HydrophobicContact CD1-CG2 3.73Å; L98-I197 HydrophobicContact CD2-CG2 4.48Å; R127-I197 HydrophobicContact CB-CB 4.18Å; R127-I197 HydrophobicContact CB-CG2 3.91Å; R127-I197 WeakPolarHBondContact CD-O 3.25Å; E128-I197 HydrophobicContact CG-CD1 3.41Å; E128-I197 VanDerWaalsContact CG-CD1 3.41Å; E128-I197 WeakPolarHBondContact OE2-CD1 3.31Å; G195-I197 PolarHBondContact O-N 3.13Å; I197-K289 HydrophobicContact CD1-CD 3.62Å; I197-K289 HydrophobicContact CD1-CG 3.81Å; I197-K289 HydrophobicContact CG1-CB 4.23Å; I197-K289 HydrophobicContact CG1-CD 4.11Å; I197-K289 HydrophobicContact CG1-CG 3.98Å; I197-K289 WeakPolarHBondContact CG1-O 3.43Å; I197-K289 PolarHBondContact N-O 3.19Å; I197-F290 WeakPolarHBondContact CD1-O 3.16Å; I197-D291 HydrophobicContact CG2-CB 3.79Å |
| 198 | S | 97.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 148.1 | 166.8 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | G245 K289 | S198-G245 CarbonylContact C-O 3.55Å; S198-G245 WeakPolarHBondContact CA-O 3.13Å; S198-K289 PolarHBondContact O-N 3.49Å |
| 199 | Y | 98 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 159.4 | 159 | 54.2 | -106.4 | 0 | 0 | 0 | 110.9 | M201 D228 Y231 G245 I246 G247 Q248 L249 M250 L287 F288 | Y199-M201 HydrophobicContact CD2-CE 4.06Å; Y199-M201 HydrophobicContact CD2-CG 4.29Å; Y199-M201 HydrophobicContact CD2-SD 3.76Å; Y199-M201 HydrophobicContact CE2-CE 3.45Å; Y199-M201 VanDerWaalsContact CE2-CE 3.45Å; Y199-M201 HydrophobicContact CE2-SD 3.78Å; Y199-D228 WeakPolarHBondContact CE2-OD2 3.43Å; Y199-D228 PolarHBondContact OH-OD2 3.28Å; Y199-Y231 HydrophobicContact CD2-CD2 4.48Å; Y199-Y231 AromaticContact CD2-CE2 3.76Å; Y199-Y231 HydrophobicContact CD2-CE2 3.76Å; Y199-Y231 AromaticContact CE2-CD2 3.69Å; Y199-Y231 HydrophobicContact CE2-CD2 3.69Å; Y199-Y231 AromaticContact CE2-CE2 3.41Å; Y199-Y231 HydrophobicContact CE2-CE2 3.41Å; Y199-Y231 VanDerWaalsContact CE2-CE2 3.41Å; Y199-Y231 PolarHBondContact O-OH 2.94Å; Y199-G245 PolarHBondContact N-O 3.35Å; Y199-I246 HydrophobicContact CE1-CB 4.48Å; Y199-I246 HydrophobicContact CE1-CG2 4.06Å; Y199-G247 WeakPolarHBondContact OH-CA 3.42Å; Y199-G247 PolarHBondContact OH-N 2.74Å; Y199-G247 PolarHBondContact OH-O 2.71Å; Y199-Q248 PolarHBondContact OH-N 2.55Å; Y199-L249 HydrophobicContact CE1-CB 3.82Å; Y199-L249 PolarHBondContact OH-N 3.45Å; Y199-M250 HydrophobicContact CD1-CG 3.77Å; Y199-M250 HydrophobicContact CE1-CB 4.38Å; Y199-M250 HydrophobicContact CE1-CG 3.69Å; Y199-L287 CarbonylContact C-O 3.55Å; Y199-L287 VanDerWaalsContact CA-O 3.28Å; Y199-L287 WeakPolarHBondContact CA-O 3.32Å; Y199-F288 HydrophobicContact CD1-CE1 4.21Å; Y199-F288 HydrophobicContact CG-CE1 4.38Å |
| 200 | S | 98.1 | Very high | 87.6 | Confident | 23 Ų | 23 | 33 Ų | 33 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.2 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | L242 L287 | S200-L242 CarbonylContact C-O 3.59Å; S200-L242 WeakPolarHBondContact CA-O 3.26Å; S200-L242 WeakPolarHBondContact CB-O 3.14Å; S200-L287 PolarHBondContact N-O 3.36Å; S200-L287 PolarHBondContact O-N 3.38Å |
| 201 | M | 97.7 | Very high | 85.1 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 163.7 | -170.1 | 63.1 | -167.6 | -165.6 | 0 | 0 | 111.1 | Y199 Q203 D228 Q241 L242 L249 I275 W277 I286 | Y199-M201 HydrophobicContact CD2-CE 4.06Å; Y199-M201 HydrophobicContact CD2-CG 4.29Å; Y199-M201 HydrophobicContact CD2-SD 3.76Å; Y199-M201 HydrophobicContact CE2-CE 3.45Å; Y199-M201 VanDerWaalsContact CE2-CE 3.45Å; Y199-M201 HydrophobicContact CE2-SD 3.78Å; M201-Q203 PolarHBondContact O-N 2.87Å; M201-D228 HydrophobicContact CE-CB 4.27Å; M201-Q241 WeakPolarHBondContact O-CG 3.4Å; M201-L242 HydrophobicContact CE-CD1 3.87Å; M201-L242 HydrophobicContact CG-CB 4.5Å; M201-L242 HydrophobicContact CG-CD1 4.46Å; M201-L242 PolarHBondContact N-O 2.81Å; M201-L242 VanDerWaalsContact N-O 3.08Å; M201-L242 PolarHBondContact O-N 2.96Å; M201-L249 HydrophobicContact CE-CD1 3.99Å; M201-L249 HydrophobicContact CE-CG 4.33Å; M201-L249 HydrophobicContact SD-CD1 3.56Å; M201-L249 VanDerWaalsContact SD-CD1 3.56Å; M201-I275 HydrophobicContact CE-CD1 4.04Å; M201-I275 HydrophobicContact CE-CG2 4.15Å; M201-W277 HydrophobicContact CE-CH2 4.47Å; M201-W277 HydrophobicContact CE-CZ2 3.96Å; M201-W277 HydrophobicContact CG-CZ2 4.43Å; M201-W277 HydrophobicContact SD-CH2 4.26Å; M201-W277 HydrophobicContact SD-CZ2 3.78Å; M201-I286 HydrophobicContact CB-CB 4.31Å; M201-I286 HydrophobicContact CB-CG1 3.97Å; M201-I286 HydrophobicContact CB-CG2 4.17Å; M201-I286 HydrophobicContact SD-CD1 4.28Å; M201-I286 HydrophobicContact SD-CG1 4.29Å; M201-I286 HydrophobicContact SD-CG2 4.16Å |
| 202 | P | 97.3 | Very high | 82.4 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 138.4 | 164.8 | -21 | 33.1 | 0 | 0 | 0 | 110.7 | W277 L284 | P202-W277 PolarHBondContact O-NE1 2.84Å; P202-L284 HydrophobicContact CG-CD1 4.1Å |
| 203 | Q | 96.2 | Very high | 79.7 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.2 | 167.6 | 175.4 | 58.9 | -69.7 | 0 | 0 | 109.3 | M201 Q227 D228 L235 N240 L242 | M201-Q203 PolarHBondContact O-N 2.87Å; Q203-Q227 HydrophobicContact CG-CG 4.1Å; Q203-D228 PolarHBondContact NE2-O 3.3Å; Q203-L235 HydrophobicContact CB-CD1 4Å; Q203-L235 HydrophobicContact CG-CD1 4.48Å; Q203-N240 PolarHBondContact N-O 3.31Å; Q203-N240 PolarHBondContact O-ND2 3.08Å; Q203-L242 HydrophobicContact CB-CD1 4.27Å; Q203-L242 HydrophobicContact CB-CD2 4.27Å; Q203-L242 HydrophobicContact CB-CG 3.97Å |
| 204 | G | 94.7 | Very high | 77.1 | Confident | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 163.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F226 Q227 G276 | G204-F226 WeakPolarHBondContact CA-O 3.43Å; G204-Q227 WeakPolarHBondContact O-CG 3.33Å; G204-G276 CarbonylContact C-O 3.51Å; G204-G276 VanDerWaalsContact CA-O 3.31Å; G204-G276 WeakPolarHBondContact CA-O 3.49Å |
| 205 | D | 91.8 | Very high | 74.1 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 166.4 | -176.8 | -75.9 | -55.2 | 0 | 0 | 0 | 112.7 | F226 G276 N278 W421 | D205-F226 PolarHBondContact O-N 3Å; D205-F226 VanDerWaalsContact O-N 3.13Å; D205-G276 PolarHBondContact N-O 3.13Å; D205-N278 PolarHBondContact OD2-N 3.33Å; D205-W421 HydrophobicContact CB-CH2 3.54Å; D205-W421 HydrophobicContact CB-CZ3 3.65Å |
| 206 | T | 85.2 | Confident | 71.1 | Confident | 71 Ų | 71 | 71 Ų | 71 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129 | 173.3 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | T208 N225 | T206-T208 PolarHBondContact O-N 3.12Å; T206-N225 HydrophobicContact CG2-CB 4.36Å; T206-N225 WeakPolarHBondContact CG2-OD1 3.36Å |
| 207 | I | 76.1 | Confident | 68.4 | Low | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 101.3 | 167 | -63.9 | -169.9 | 0 | 0 | 0 | 108.8 | Y209 P223 Q224 F226 L309 W421 | I207-Y209 HydrophobicContact CG2-CD1 4.33Å; I207-Y209 HydrophobicContact CG2-CD2 3.62Å; I207-Y209 HydrophobicContact CG2-CE1 4.32Å; I207-Y209 HydrophobicContact CG2-CE2 3.6Å; I207-Y209 HydrophobicContact CG2-CG 4.01Å; I207-P223 CarbonylContact O-C 3.55Å; I207-P223 WeakPolarHBondContact O-CA 3.49Å; I207-Q224 HydrophobicContact CB-CB 4.43Å; I207-Q224 PolarHBondContact N-O 3.43Å; I207-Q224 PolarHBondContact O-N 2.79Å; I207-F226 HydrophobicContact CB-CE2 4.46Å; I207-F226 HydrophobicContact CD1-CD2 4.5Å; I207-F226 HydrophobicContact CD1-CE2 3.74Å; I207-F226 HydrophobicContact CG1-CD2 4.26Å; I207-F226 HydrophobicContact CG1-CE2 3.87Å; I207-L309 HydrophobicContact CD1-CD2 3.86Å; I207-W421 HydrophobicContact CD1-CD2 4.21Å; I207-W421 HydrophobicContact CD1-CH2 4.11Å; I207-W421 HydrophobicContact CD1-CZ2 3.76Å; I207-W421 HydrophobicContact CD1-CZ3 4.47Å; I207-W421 HydrophobicContact CG1-CH2 3.4Å; I207-W421 VanDerWaalsContact CG1-CH2 3.4Å; I207-W421 HydrophobicContact CG1-CZ2 3.32Å; I207-W421 HydrophobicContact CG1-CZ3 4.07Å |
| 208 | T | 60.4 | Low | 65.7 | Low | 100 Ų | 100 | 80.7 Ų | 80.7 | 61% | 0.613 | 46% | 0.455 | S | S | * | . | trans | -86.8 | 106.9 | 159.8 | -60.8 | 0 | 0 | 0 | 0 | 108.9 | T206 G210 | T206-T208 PolarHBondContact O-N 3.12Å; T208-G210 PolarHBondContact O-N 2.65Å | ||
| 209 | Y | 52.4 | Low | 63.2 | Low | 90 Ų | 90 | 86.1 Ų | 86.1 | 35% | 0.353 | 47% | 0.474 | S | S | . | . | trans | -69.7 | 70.6 | 175.6 | -86.7 | -71.3 | 0 | 0 | 0 | 112.2 | I207 L309 | I207-Y209 HydrophobicContact CG2-CD1 4.33Å; I207-Y209 HydrophobicContact CG2-CD2 3.62Å; I207-Y209 HydrophobicContact CG2-CE1 4.32Å; I207-Y209 HydrophobicContact CG2-CE2 3.6Å; I207-Y209 HydrophobicContact CG2-CG 4.01Å; Y209-L309 WeakPolarHBondContact OH-CD2 3.46Å | ||
| 210 | G | 40.7 | Very low | 60.8 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 78% | 0.784 | 49% | 0.49 | S | S | * | . | trans | -88.4 | 5.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T208 | T208-G210 PolarHBondContact O-N 2.65Š| ||
| 211 | R | 39.5 | Very low | 58.3 | Low | 213 Ų | 213 | 93.7 Ų | 93.7 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | trans | -121 | 111.1 | -174.9 | -153.1 | 175 | -161.3 | -132.7 | 3 | 112.5 | L213 | R211-L213 PolarHBondContact O-N 3.41Š| ||
| 212 | Q | 36.4 | Very low | 56.1 | Low | 185 Ų | 185 | 96.8 Ų | 96.8 | 86% | 0.864 | 54% | 0.538 | S | S | * | . | trans | -58.6 | 102.3 | 168.4 | -176.9 | 179.5 | 14.2 | 0 | 0 | 109.9 | ||||
| 213 | L | 36.6 | Very low | 54.3 | Low | 139 Ų | 139 | 97.9 Ų | 97.9 | 73% | 0.728 | 55% | 0.545 | S | S | * | . | trans | -71.4 | 132 | 165.2 | -63.6 | -177.9 | 0 | 0 | 0 | 108.3 | R211 | R211-L213 PolarHBondContact O-N 3.41Š| ||
| 214 | L | 36.3 | Very low | 53.3 | Low | 143 Ų | 143 | 97.4 Ų | 97.4 | 75% | 0.749 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -62.8 | 146 | 165.7 | -67.4 | 83.9 | 0 | 0 | 0 | 107.8 | ||
| 215 | F | 31.5 | Very low | 52.8 | Low | 200 Ų | 200 | 99.6 Ų | 99.6 | 88% | 0.877 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 75.8 | 60.6 | -180 | -44.1 | -70.3 | 0 | 0 | 0 | 117 | S217 | F215-S217 PolarHBondContact O-N 2.79Š|
| 216 | G | 33.7 | Very low | 52.8 | Low | 82 Ų | 82 | 96.7 Ų | 96.7 | 85% | 0.845 | 54% | 0.538 | S | S | * | . | 85.6 | 0.8 | 112.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 217 | S | 39.9 | Very low | 53.2 | Low | 76 Ų | 76 | 96.2 Ų | 96.2 | 53% | 0.531 | 53% | 0.531 | S | S | . | . | trans | -97.2 | 130 | 169.3 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | F215 Y219 | F215-S217 PolarHBondContact O-N 2.79Å; S217-Y219 PolarHBondContact O-N 2.91Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.39Å; S217-Y219 WeakPolarHBondContact OG-CE2 3.31Å | ||
| 218 | P | 39.1 | Very low | 54 | Low | 129 Ų | 129 | 95.6 Ų | 95.6 | 84% | 0.838 | 53% | 0.528 | S | S | * | . | trans | -78.9 | 68 | 173.9 | 35 | -35.2 | 0 | 0 | 0 | 110.7 | ||||
| 219 | Y | 45 | Very low | 55.4 | Low | 129 Ų | 129 | 94.1 Ų | 94.1 | 51% | 0.506 | 52% | 0.516 | S | S | . | . | trans | -63.4 | 147.6 | 166 | -86.2 | -81 | 0 | 0 | 0 | 110.4 | S217 T221 | S217-Y219 PolarHBondContact O-N 2.91Å; S217-Y219 WeakPolarHBondContact OG-CD2 3.39Å; S217-Y219 WeakPolarHBondContact OG-CE2 3.31Å; Y219-T221 PolarHBondContact O-N 3.34Å | ||
| 220 | S | 47.2 | Very low | 57.3 | Low | 48 Ų | 48 | 90.9 Ų | 90.9 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | trans | -55.6 | 126.6 | -168.7 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | I222 | S220-I222 PolarHBondContact O-N 2.81Å; S220-I222 WeakPolarHBondContact OG-CB 3.41Å; S220-I222 WeakPolarHBondContact OG-CG1 3.31Å; S220-I222 PolarHBondContact OG-N 2.81Å | ||
| 221 | T | 46.4 | Very low | 59.8 | Low | 134 Ų | 134 | 88.8 Ų | 88.8 | 82% | 0.822 | 47% | 0.474 | S | S | * | . | trans | -80.1 | 5.8 | 171.3 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | Y219 P223 | Y219-T221 PolarHBondContact O-N 3.34Å; T221-P223 WeakPolarHBondContact O-CD 3.45Å | ||
| 222 | I | 51.9 | Low | 62.4 | Low | 68 Ų | 68 | 80.5 Ų | 80.5 | 35% | 0.349 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -78.9 | 122 | 173.4 | -55.5 | 172.7 | 0 | 0 | 0 | 107.7 | S220 Q224 P270 | S220-I222 PolarHBondContact O-N 2.81Å; S220-I222 WeakPolarHBondContact OG-CB 3.41Å; S220-I222 WeakPolarHBondContact OG-CG1 3.31Å; S220-I222 PolarHBondContact OG-N 2.81Å; I222-Q224 PolarHBondContact O-N 2.8Å; I222-P270 HydrophobicContact CD1-CG 4.46Å |
| 223 | P | 59.7 | Low | 65.2 | Low | 75 Ų | 75 | 72.9 Ų | 72.9 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.7 | 170.3 | -21 | 33.3 | 0 | 0 | 0 | 110.1 | I207 T221 | I207-P223 CarbonylContact O-C 3.55Å; I207-P223 WeakPolarHBondContact O-CA 3.49Å; T221-P223 WeakPolarHBondContact O-CD 3.45Å |
| 224 | Q | 74.1 | Confident | 68 | Low | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 127.1 | 174.9 | -59.8 | -167.3 | -87.5 | 0 | 0 | 108.8 | I207 I222 F226 V259 | I207-Q224 HydrophobicContact CB-CB 4.43Å; I207-Q224 PolarHBondContact N-O 3.43Å; I207-Q224 PolarHBondContact O-N 2.79Å; I222-Q224 PolarHBondContact O-N 2.8Å; Q224-F226 HydrophobicContact CB-CE1 4.17Å; Q224-F226 HydrophobicContact CB-CE2 3.85Å; Q224-F226 HydrophobicContact CB-CZ 3.63Å; Q224-F226 HydrophobicContact CG-CZ 4.35Å; Q224-V259 PolarHBondContact NE2-O 2.9Å |
| 225 | N | 85.2 | Confident | 70.9 | Confident | 47 Ų | 47 | 70 Ų | 70 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.1 | 173.7 | -166.6 | -1.4 | 0 | 0 | 0 | 108.7 | T206 Q227 | T206-N225 HydrophobicContact CG2-CB 4.36Å; T206-N225 WeakPolarHBondContact CG2-OD1 3.36Å; N225-Q227 PolarHBondContact ND2-OE1 2.71Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.48Å; N225-Q227 VanDerWaalsContact OD1-CD 3.32Å; N225-Q227 WeakPolarHBondContact OD1-CG 3.09Å; N225-Q227 PolarHBondContact OD1-N 3.25Å; N225-Q227 PolarHBondContact OD1-OE1 3.36Å |
| 226 | F | 91.5 | Very high | 73.9 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -115.2 | 30.6 | 174.4 | -54.2 | -60.5 | 0 | 0 | 0 | 111.3 | G204 D205 I207 Q224 V259 F274 I275 G276 W421 L423 | G204-F226 WeakPolarHBondContact CA-O 3.43Å; D205-F226 PolarHBondContact O-N 3Å; D205-F226 VanDerWaalsContact O-N 3.13Å; I207-F226 HydrophobicContact CB-CE2 4.46Å; I207-F226 HydrophobicContact CD1-CD2 4.5Å; I207-F226 HydrophobicContact CD1-CE2 3.74Å; I207-F226 HydrophobicContact CG1-CD2 4.26Å; I207-F226 HydrophobicContact CG1-CE2 3.87Å; Q224-F226 HydrophobicContact CB-CE1 4.17Å; Q224-F226 HydrophobicContact CB-CE2 3.85Å; Q224-F226 HydrophobicContact CB-CZ 3.63Å; Q224-F226 HydrophobicContact CG-CZ 4.35Å; F226-V259 HydrophobicContact CE1-CG1 3.61Å; F226-V259 HydrophobicContact CZ-CG1 3.59Å; F226-F274 WeakPolarHBondContact CA-O 3.31Å; F226-F274 HydrophobicContact CD1-CB 3.97Å; F226-F274 HydrophobicContact CE1-CB 4.29Å; F226-I275 CarbonylContact O-C 3.56Å; F226-I275 VanDerWaalsContact O-CA 3.25Å; F226-I275 WeakPolarHBondContact O-CA 3.25Å; F226-I275 WeakPolarHBondContact O-CG2 3.43Å; F226-G276 PolarHBondContact O-N 3.01Å; F226-W421 HydrophobicContact CD2-CE3 4.49Å; F226-W421 HydrophobicContact CD2-CZ3 4.03Å; F226-L423 HydrophobicContact CD1-CD2 4.36Å; F226-L423 HydrophobicContact CD2-CD2 4Å; F226-L423 HydrophobicContact CE1-CD2 4.47Å; F226-L423 HydrophobicContact CE2-CD2 4.12Å; F226-L423 HydrophobicContact CG-CD2 4.12Å; F226-L423 HydrophobicContact CZ-CD2 4.36Å | ||
| 227 | Q | 92.9 | Very high | 76.7 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 28% | 0.28 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -73 | 154.9 | 165.2 | -72.6 | 168.8 | -20.4 | 0 | 0 | 110.9 | Q203 G204 N225 L229 Q248 | Q203-Q227 HydrophobicContact CG-CG 4.1Å; G204-Q227 WeakPolarHBondContact O-CG 3.33Å; N225-Q227 PolarHBondContact ND2-OE1 2.71Å; N225-Q227 WeakPolarHBondContact OD1-CB 3.48Å; N225-Q227 VanDerWaalsContact OD1-CD 3.32Å; N225-Q227 WeakPolarHBondContact OD1-CG 3.09Å; N225-Q227 PolarHBondContact OD1-N 3.25Å; N225-Q227 PolarHBondContact OD1-OE1 3.36Å; Q227-L229 HydrophobicContact CB-CD2 3.93Å; Q227-L229 HydrophobicContact CB-CG 4.41Å; Q227-L229 PolarHBondContact O-N 2.88Å; Q227-Q248 PolarHBondContact O-NE2 3.02Å |
| 228 | D | 93.9 | Very high | 79.1 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | trans | -76.5 | 103.4 | 165 | -162.6 | -16.3 | 0 | 0 | 0 | 108.7 | Y199 M201 Q203 Y231 L242 G247 Q248 I275 | Y199-D228 WeakPolarHBondContact CE2-OD2 3.43Å; Y199-D228 PolarHBondContact OH-OD2 3.28Å; M201-D228 HydrophobicContact CE-CB 4.27Å; Q203-D228 PolarHBondContact NE2-O 3.3Å; D228-Y231 PolarHBondContact OD1-N 3.22Å; D228-Y231 WeakPolarHBondContact OD2-CD2 3.31Å; D228-L242 HydrophobicContact CB-CD1 3.75Å; D228-G247 WeakPolarHBondContact OD1-CA 3.34Å; D228-Q248 PolarHBondContact OD1-N 2.75Å; D228-I275 HydrophobicContact CB-CD1 3.53Å; D228-I275 HydrophobicContact CB-CG1 4.09Å; D228-I275 VanDerWaalsContact CG-CD1 3.42Å | ||
| 229 | L | 89.6 | Confident | 81.6 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -95.3 | -9 | -174.7 | -60.1 | 177.8 | 0 | 0 | 0 | 113.4 | Q227 F272 | Q227-L229 HydrophobicContact CB-CD2 3.93Å; Q227-L229 HydrophobicContact CB-CG 4.41Å; Q227-L229 PolarHBondContact O-N 2.88Å; L229-F272 HydrophobicContact CB-CE2 4.16Å; L229-F272 HydrophobicContact CD1-CD2 4.08Å; L229-F272 HydrophobicContact CD1-CE2 4.12Å |
| 230 | T | 91 | Very high | 83.9 | Confident | 22 Ų | 22 | 69 Ų | 69 | 14% | 0.135 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -105.6 | 2.3 | 175.7 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | D232 G247 Q248 F272 | T230-D232 PolarHBondContact O-N 2.8Å; T230-G247 WeakPolarHBondContact OG1-CA 3.48Å; T230-Q248 HydrophobicContact CG2-CG 4.09Å; T230-Q248 VanDerWaalsContact OG1-CG 3.29Å; T230-Q248 WeakPolarHBondContact OG1-CG 3.43Å; T230-Q248 PolarHBondContact OG1-N 2.95Å; T230-F272 HydrophobicContact CG2-CE1 4.41Å; T230-F272 HydrophobicContact CG2-CZ 3.81Å |
| 231 | Y | 94.4 | Very high | 86.3 | Confident | 31 Ų | 31 | 70 Ų | 70 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | trans | -60.1 | 116.4 | -175.5 | -163.7 | -103.1 | 0 | 0 | 0 | 113.9 | Y199 D228 L242 V243 G244 G245 I246 | Y199-Y231 HydrophobicContact CD2-CD2 4.48Å; Y199-Y231 AromaticContact CD2-CE2 3.76Å; Y199-Y231 HydrophobicContact CD2-CE2 3.76Å; Y199-Y231 AromaticContact CE2-CD2 3.69Å; Y199-Y231 HydrophobicContact CE2-CD2 3.69Å; Y199-Y231 AromaticContact CE2-CE2 3.41Å; Y199-Y231 HydrophobicContact CE2-CE2 3.41Å; Y199-Y231 VanDerWaalsContact CE2-CE2 3.41Å; Y199-Y231 PolarHBondContact O-OH 2.94Å; D228-Y231 PolarHBondContact OD1-N 3.22Å; D228-Y231 WeakPolarHBondContact OD2-CD2 3.31Å; Y231-L242 HydrophobicContact CD1-CB 4.15Å; Y231-L242 HydrophobicContact CD1-CD1 4.43Å; Y231-L242 HydrophobicContact CD1-CD2 3.75Å; Y231-L242 HydrophobicContact CD1-CG 4.32Å; Y231-L242 HydrophobicContact CD2-CD1 4.28Å; Y231-L242 HydrophobicContact CE1-CB 3.7Å; Y231-L242 HydrophobicContact CE1-CD2 4.08Å; Y231-L242 HydrophobicContact CE1-CG 4.37Å; Y231-L242 HydrophobicContact CE2-CB 4.22Å; Y231-L242 HydrophobicContact CG-CD1 4.18Å; Y231-L242 HydrophobicContact CG-CD2 4.23Å; Y231-V243 VanDerWaalsContact OH-CA 3.31Å; Y231-V243 WeakPolarHBondContact OH-CA 3.4Å; Y231-V243 PolarHBondContact OH-N 2.88Å; Y231-V243 PolarHBondContact OH-O 3.48Å; Y231-G244 PolarHBondContact OH-N 3.06Å; Y231-G245 VanDerWaalsContact CE2-O 3.26Å; Y231-G245 WeakPolarHBondContact CE2-O 3.3Å; Y231-G245 PolarHBondContact OH-N 2.76Å; Y231-G245 PolarHBondContact OH-O 3.15Å; Y231-I246 CarbonylContact C-O 3.48Å; Y231-I246 VanDerWaalsContact CA-O 3.31Å; Y231-I246 WeakPolarHBondContact CA-O 3.26Å | ||
| 232 | D | 94.6 | Very high | 88.8 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | trans | -88.5 | 1.5 | -177.7 | 58.8 | 48.6 | 0 | 0 | 0 | 115.7 | Y125 R127 Y134 T230 G245 I246 | Y125-D232 PolarHBondContact OH-OD2 2.94Å; Y125-D232 VanDerWaalsContact OH-OD2 3.1Å; R127-D232 IonicContact CZ-OD1 2.69Å; R127-D232 IonicContact CZ-OD2 3.93Å; R127-D232 IonicContact NH1-OD1 3.35Å; R127-D232 PolarHBondContact NH1-OD1 2.84Å; R127-D232 IonicContact NH1-OD2 2.68Å; R127-D232 PolarHBondContact NH1-OD2 2.69Å; R127-D232 IonicContact NH2-OD1 3.51Å; R127-D232 IonicContact NH2-OD2 3.62Å; R127-D232 PolarHBondContact NH2-OD2 3.34Å; Y134-D232 HydrophobicContact CD1-CB 4.27Å; T230-D232 PolarHBondContact O-N 2.8Å; D232-G245 WeakPolarHBondContact OD1-CA 3.15Å; D232-I246 PolarHBondContact N-O 2.91Å; D232-I246 PolarHBondContact OD1-N 2.82Å; D232-I246 VanDerWaalsContact OD2-O 3.11Å | ||
| 233 | G | 94.7 | Very high | 90.9 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -87.5 | -147.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 234 | Q | 94.9 | Very high | 92.6 | Very high | 145 Ų | 145 | 60.1 Ų | 60.1 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141.7 | 178.4 | -61.9 | 179.8 | 6.6 | 0 | 0 | 110.8 | L242 V243 | Q234-L242 WeakPolarHBondContact O-CA 3.35Å; Q234-V243 HydrophobicContact CB-CG2 4.09Å; Q234-V243 PolarHBondContact N-O 3.14Å; Q234-V243 PolarHBondContact O-N 3.18Å |
| 235 | L | 96.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.2 | 165.7 | 175.5 | 63.3 | 0 | 0 | 0 | 108.7 | Q203 E237 L242 | Q203-L235 HydrophobicContact CB-CD1 4Å; Q203-L235 HydrophobicContact CG-CD1 4.48Å; L235-E237 HydrophobicContact CD2-CG 4.46Å; L235-E237 HydrophobicContact CG-CG 4.41Å; L235-E237 PolarHBondContact O-N 3.42Å; L235-L242 HydrophobicContact CB-CD2 4.16Å; L235-L242 HydrophobicContact CD1-CD2 3.88Å |
| 236 | I | 96.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 93.6 | 168.3 | -55.5 | 177.7 | 0 | 0 | 0 | 107.1 | L238 E239 N240 Q241 V243 | I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 2.81Å; I236-E239 HydrophobicContact CB-CB 4.47Å; I236-E239 HydrophobicContact CG2-CB 4.06Å; I236-E239 HydrophobicContact CG2-CG 4.02Å; I236-E239 PolarHBondContact O-N 3.24Å; I236-E239 VanDerWaalsContact O-N 3.08Å; I236-N240 WeakPolarHBondContact O-CA 3.21Å; I236-N240 PolarHBondContact O-N 2.94Å; I236-Q241 PolarHBondContact N-O 3.32Å; I236-Q241 PolarHBondContact O-N 3.23Å; I236-V243 HydrophobicContact CD1-CG1 3.84Å; I236-V243 HydrophobicContact CD1-CG2 3.9Å; I236-V243 HydrophobicContact CG1-CG1 4.46Å; I236-V243 HydrophobicContact CG1-CG2 3.95Å |
| 237 | E | 90.7 | Very high | 94.3 | Very high | 163 Ų | 163 | 57.5 Ų | 57.5 | 76% | 0.762 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.9 | -172 | -64.5 | -172.8 | 163.9 | 0 | 0 | 113.7 | L235 E239 N240 | L235-E237 HydrophobicContact CD2-CG 4.46Å; L235-E237 HydrophobicContact CG-CG 4.41Å; L235-E237 PolarHBondContact O-N 3.42Å; E237-E239 VanDerWaalsContact C-N 3.27Å; E237-E239 PolarHBondContact O-N 3.23Å; E237-N240 PolarHBondContact O-N 3.38Å |
| 238 | L | 91.9 | Very high | 94.3 | Very high | 174 Ų | 174 | 54.7 Ų | 54.7 | 91% | 0.911 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.2 | 179.3 | -86.3 | 74.6 | 0 | 0 | 0 | 113.4 | I236 | I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 2.81Å |
| 239 | E | 90.6 | Very high | 94.3 | Very high | 128 Ų | 128 | 54.5 Ų | 54.5 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -5.1 | -176.6 | -61.1 | -179 | 150.4 | 0 | 0 | 111.6 | I236 E237 Q241 | I236-E239 HydrophobicContact CB-CB 4.47Å; I236-E239 HydrophobicContact CG2-CB 4.06Å; I236-E239 HydrophobicContact CG2-CG 4.02Å; I236-E239 PolarHBondContact O-N 3.24Å; I236-E239 VanDerWaalsContact O-N 3.08Å; E237-E239 VanDerWaalsContact C-N 3.27Å; E237-E239 PolarHBondContact O-N 3.23Å; E239-Q241 HydrophobicContact CB-CB 4Å; E239-Q241 PolarHBondContact O-N 3.34Å |
| 240 | N | 94.7 | Very high | 94.5 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 38 | -166.2 | -166.5 | 50.9 | 0 | 0 | 0 | 112.2 | Q203 I236 E237 | Q203-N240 PolarHBondContact N-O 3.31Å; Q203-N240 PolarHBondContact O-ND2 3.08Å; I236-N240 WeakPolarHBondContact O-CA 3.21Å; I236-N240 PolarHBondContact O-N 2.94Å; E237-N240 PolarHBondContact O-N 3.38Å |
| 241 | Q | 97 | Very high | 94.4 | Very high | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.6 | -172 | -171.6 | 175.7 | -34.2 | 0 | 0 | 111.8 | M201 I236 E239 V243 | M201-Q241 WeakPolarHBondContact O-CG 3.4Å; I236-Q241 PolarHBondContact N-O 3.32Å; I236-Q241 PolarHBondContact O-N 3.23Å; E239-Q241 HydrophobicContact CB-CB 4Å; E239-Q241 PolarHBondContact O-N 3.34Å; Q241-V243 HydrophobicContact CG-CG1 4.08Å |
| 242 | L | 98.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.9 | 170.1 | -61.4 | 176.2 | 0 | 0 | 0 | 109.8 | S200 M201 Q203 D228 Y231 Q234 L235 | S200-L242 CarbonylContact C-O 3.59Å; S200-L242 WeakPolarHBondContact CA-O 3.26Å; S200-L242 WeakPolarHBondContact CB-O 3.14Å; M201-L242 HydrophobicContact CE-CD1 3.87Å; M201-L242 HydrophobicContact CG-CB 4.5Å; M201-L242 HydrophobicContact CG-CD1 4.46Å; M201-L242 PolarHBondContact N-O 2.81Å; M201-L242 VanDerWaalsContact N-O 3.08Å; M201-L242 PolarHBondContact O-N 2.96Å; Q203-L242 HydrophobicContact CB-CD1 4.27Å; Q203-L242 HydrophobicContact CB-CD2 4.27Å; Q203-L242 HydrophobicContact CB-CG 3.97Å; D228-L242 HydrophobicContact CB-CD1 3.75Å; Y231-L242 HydrophobicContact CD1-CB 4.15Å; Y231-L242 HydrophobicContact CD1-CD1 4.43Å; Y231-L242 HydrophobicContact CD1-CD2 3.75Å; Y231-L242 HydrophobicContact CD1-CG 4.32Å; Y231-L242 HydrophobicContact CD2-CD1 4.28Å; Y231-L242 HydrophobicContact CE1-CB 3.7Å; Y231-L242 HydrophobicContact CE1-CD2 4.08Å; Y231-L242 HydrophobicContact CE1-CG 4.37Å; Y231-L242 HydrophobicContact CE2-CB 4.22Å; Y231-L242 HydrophobicContact CG-CD1 4.18Å; Y231-L242 HydrophobicContact CG-CD2 4.23Å; Q234-L242 WeakPolarHBondContact O-CA 3.35Å; L235-L242 HydrophobicContact CB-CD2 4.16Å; L235-L242 HydrophobicContact CD1-CD2 3.88Å |
| 243 | V | 96.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.7 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | Y231 Q234 I236 Q241 G245 | Y231-V243 VanDerWaalsContact OH-CA 3.31Å; Y231-V243 WeakPolarHBondContact OH-CA 3.4Å; Y231-V243 PolarHBondContact OH-N 2.88Å; Y231-V243 PolarHBondContact OH-O 3.48Å; Q234-V243 HydrophobicContact CB-CG2 4.09Å; Q234-V243 PolarHBondContact N-O 3.14Å; Q234-V243 PolarHBondContact O-N 3.18Å; I236-V243 HydrophobicContact CD1-CG1 3.84Å; I236-V243 HydrophobicContact CD1-CG2 3.9Å; I236-V243 HydrophobicContact CG1-CG1 4.46Å; I236-V243 HydrophobicContact CG1-CG2 3.95Å; Q241-V243 HydrophobicContact CG-CG1 4.08Å; V243-G245 PolarHBondContact O-N 3.07Å |
| 244 | G | 95.2 | Very high | 92.8 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75 | 14.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117 | Y134 Y231 | Y134-G244 PolarHBondContact OH-O 2.74Å; Y231-G244 PolarHBondContact OH-N 3.06Å |
| 245 | G | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | -170 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S198 Y199 Y231 D232 V243 | S198-G245 CarbonylContact C-O 3.55Å; S198-G245 WeakPolarHBondContact CA-O 3.13Å; Y199-G245 PolarHBondContact N-O 3.35Å; Y231-G245 VanDerWaalsContact CE2-O 3.26Å; Y231-G245 WeakPolarHBondContact CE2-O 3.3Å; Y231-G245 PolarHBondContact OH-N 2.76Å; Y231-G245 PolarHBondContact OH-O 3.15Å; D232-G245 WeakPolarHBondContact OD1-CA 3.15Å; V243-G245 PolarHBondContact O-N 3.07Å |
| 246 | I | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -130.3 | 150.8 | 177.6 | -61.1 | -178.8 | 0 | 0 | 0 | 108.8 | I164 V196 Y199 Y231 D232 M250 | I164-I246 HydrophobicContact CD1-CD1 4.08Å; I164-I246 HydrophobicContact CD1-CG2 4.16Å; I164-I246 HydrophobicContact CG2-CD1 4.5Å; V196-I246 HydrophobicContact CG1-CD1 4.32Å; V196-I246 WeakPolarHBondContact O-CD1 3.18Å; Y199-I246 HydrophobicContact CE1-CB 4.48Å; Y199-I246 HydrophobicContact CE1-CG2 4.06Å; Y231-I246 CarbonylContact C-O 3.48Å; Y231-I246 VanDerWaalsContact CA-O 3.31Å; Y231-I246 WeakPolarHBondContact CA-O 3.26Å; D232-I246 PolarHBondContact N-O 2.91Å; D232-I246 PolarHBondContact OD1-N 2.82Å; D232-I246 VanDerWaalsContact OD2-O 3.11Å; I246-M250 HydrophobicContact CG2-CB 3.82Å; I246-M250 HydrophobicContact CG2-CG 4.37Å | ||
| 247 | G | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -152.4 | -140.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y199 D228 T230 L249 M250 D251 | Y199-G247 WeakPolarHBondContact OH-CA 3.42Å; Y199-G247 PolarHBondContact OH-N 2.74Å; Y199-G247 PolarHBondContact OH-O 2.71Å; D228-G247 WeakPolarHBondContact OD1-CA 3.34Å; T230-G247 WeakPolarHBondContact OG1-CA 3.48Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 3.02Å; G247-L249 VanDerWaalsContact O-N 3.13Å; G247-M250 PolarHBondContact O-N 3Å; G247-D251 PolarHBondContact O-N 3.26Å | ||
| 248 | Q | 92.9 | Very high | 89 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -63.1 | -24.2 | -165.5 | -54.1 | 161.8 | -176.2 | 0 | 0 | 114.5 | Y199 Q227 D228 T230 M250 D251 F272 I275 | Y199-Q248 PolarHBondContact OH-N 2.55Å; Q227-Q248 PolarHBondContact O-NE2 3.02Å; D228-Q248 PolarHBondContact OD1-N 2.75Å; T230-Q248 HydrophobicContact CG2-CG 4.09Å; T230-Q248 VanDerWaalsContact OG1-CG 3.29Å; T230-Q248 WeakPolarHBondContact OG1-CG 3.43Å; T230-Q248 PolarHBondContact OG1-N 2.95Å; Q248-M250 PolarHBondContact O-N 3.06Å; Q248-D251 PolarHBondContact O-N 2.99Å; Q248-F272 PolarHBondContact NE2-O 2.9Å; Q248-I275 HydrophobicContact CB-CD1 3.75Å; Q248-I275 HydrophobicContact CB-CG1 4.24Å |
| 249 | L | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -70.6 | -13.5 | 179.5 | -66.9 | -171 | 0 | 0 | 0 | 114.7 | Y199 M201 G247 I275 W277 I286 L424 V427 | Y199-L249 HydrophobicContact CE1-CB 3.82Å; Y199-L249 PolarHBondContact OH-N 3.45Å; M201-L249 HydrophobicContact CE-CD1 3.99Å; M201-L249 HydrophobicContact CE-CG 4.33Å; M201-L249 HydrophobicContact SD-CD1 3.56Å; M201-L249 VanDerWaalsContact SD-CD1 3.56Å; G247-L249 VanDerWaalsContact C-N 3.29Å; G247-L249 PolarHBondContact O-N 3.02Å; G247-L249 VanDerWaalsContact O-N 3.13Å; L249-I275 HydrophobicContact CD2-CB 4.25Å; L249-I275 HydrophobicContact CD2-CD1 3.84Å; L249-I275 HydrophobicContact CD2-CG1 4.46Å; L249-I275 HydrophobicContact CG-CD1 3.7Å; L249-W277 HydrophobicContact CD1-CH2 4.36Å; L249-I286 HydrophobicContact CD1-CD1 3.9Å; L249-L424 HydrophobicContact CD2-CB 3.78Å; L249-L424 HydrophobicContact CD2-CD1 4.45Å; L249-V427 HydrophobicContact CD1-CG2 4.41Å; L249-V427 PolarHBondContact O-N 3.43Å |
| 250 | M | 93.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -135 | 24.3 | 177.5 | -48.4 | -70.6 | -41.9 | 0 | 0 | 110.9 | F192 D194 V196 Y199 I246 G247 Q248 N252 F288 E426 V427 | F192-M250 HydrophobicContact CZ-CB 4.35Å; F192-M250 HydrophobicContact CZ-CE 3.93Å; D194-M250 HydrophobicContact CB-CE 4.12Å; V196-M250 HydrophobicContact CB-CE 4.16Å; V196-M250 HydrophobicContact CB-SD 4.48Å; V196-M250 HydrophobicContact CG1-CG 4.22Å; V196-M250 HydrophobicContact CG1-SD 4.49Å; V196-M250 HydrophobicContact CG2-CE 3.77Å; V196-M250 HydrophobicContact CG2-SD 4.11Å; Y199-M250 HydrophobicContact CD1-CG 3.77Å; Y199-M250 HydrophobicContact CE1-CB 4.38Å; Y199-M250 HydrophobicContact CE1-CG 3.69Å; I246-M250 HydrophobicContact CG2-CB 3.82Å; I246-M250 HydrophobicContact CG2-CG 4.37Å; G247-M250 PolarHBondContact O-N 3Å; Q248-M250 PolarHBondContact O-N 3.06Å; M250-N252 PolarHBondContact O-N 3.48Å; M250-F288 HydrophobicContact SD-CD1 4.36Å; M250-F288 HydrophobicContact SD-CE1 3.83Å; M250-E426 WeakPolarHBondContact CA-OE2 3.21Å; M250-V427 VanDerWaalsContact CE-O 3.24Å; M250-V427 WeakPolarHBondContact CE-O 3.49Å; M250-V427 HydrophobicContact SD-CB 4.21Å |
| 251 | D | 88 | Confident | 85.1 | Confident | 18 Ų | 18 | 19.4 Ų | 19.4 | 10% | 0.096 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -77.6 | 0.4 | 178.9 | 84.4 | -5 | 0 | 0 | 0 | 113.1 | V162 G247 Q248 I253 | V162-D251 HydrophobicContact CB-CB 4.1Å; V162-D251 HydrophobicContact CG1-CB 3.91Å; G247-D251 PolarHBondContact O-N 3.26Å; Q248-D251 PolarHBondContact O-N 2.99Å; D251-I253 VanDerWaalsContact C-N 3.27Å; D251-I253 PolarHBondContact O-N 3.1Å; D251-I253 WeakPolarHBondContact OD1-CB 3.23Å; D251-I253 WeakPolarHBondContact OD1-CG1 3.42Å; D251-I253 PolarHBondContact OD1-N 3.3Å |
| 252 | N | 84.6 | Confident | 83.2 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 11% | 0.107 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 70.6 | 26.2 | 173.8 | 168.8 | 111.2 | 0 | 0 | 0 | 111 | R18 R19 I100 M250 E426 | R18-N252 WeakPolarHBondContact CA-O 3.39Å; R19-N252 WeakPolarHBondContact CA-OD1 3.06Å; R19-N252 HydrophobicContact CB-CB 4.31Å; R19-N252 WeakPolarHBondContact CB-OD1 3.43Å; R19-N252 PolarHBondContact N-ND2 2.85Å; R19-N252 PolarHBondContact N-O 3.16Å; R19-N252 PolarHBondContact O-ND2 2.7Å; R19-N252 PolarHBondContact O-OD1 3.1Å; I100-N252 HydrophobicContact CD1-CB 3.64Å; I100-N252 WeakPolarHBondContact CD1-OD1 3.48Å; M250-N252 PolarHBondContact O-N 3.48Å; N252-E426 WeakPolarHBondContact CA-OE1 3.31Å; N252-E426 PolarHBondContact N-OE2 3.03Å; N252-E426 VanDerWaalsContact N-OE2 3.16Å |
| 253 | I | 83.4 | Confident | 81.4 | Confident | 21 Ų | 21 | 20.9 Ų | 20.9 | 11% | 0.108 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 80 | 176.8 | -49.8 | -177.6 | 0 | 0 | 0 | 111 | I16 D251 Y255 | I16-I253 HydrophobicContact CG2-CG2 3.43Å; I16-I253 VanDerWaalsContact CG2-CG2 3.43Å; D251-I253 VanDerWaalsContact C-N 3.27Å; D251-I253 PolarHBondContact O-N 3.1Å; D251-I253 WeakPolarHBondContact OD1-CB 3.23Å; D251-I253 WeakPolarHBondContact OD1-CG1 3.42Å; D251-I253 PolarHBondContact OD1-N 3.3Å; I253-Y255 PolarHBondContact O-N 3.15Å; I253-Y255 VanDerWaalsContact O-N 3.11Å |
| 254 | A | 82.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 105.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I17 F302 E426 | I17-A254 HydrophobicContact CB-CB 4.13Å; I17-A254 PolarHBondContact N-O 2.76Å; I17-A254 PolarHBondContact O-N 3.44Å; A254-F302 HydrophobicContact CB-CD1 3.48Å; A254-F302 VanDerWaalsContact CB-CD1 3.48Å; A254-F302 HydrophobicContact CB-CE1 3.52Å; A254-F302 HydrophobicContact CB-CG 4.06Å; A254-F302 HydrophobicContact CB-CZ 4.17Å; A254-E426 HydrophobicContact CB-CB 4.23Å; A254-E426 HydrophobicContact CB-CG 4.18Å |
| 255 | Y | 80.5 | Confident | 77.7 | Confident | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.4 | 177.1 | -167.2 | -91.5 | 0 | 0 | 0 | 112 | E14 I16 I253 G257 H273 F274 S425 | E14-Y255 WeakPolarHBondContact OE1-CE2 3.45Å; E14-Y255 PolarHBondContact OE1-OH 3.1Å; I16-Y255 HydrophobicContact CD1-CD2 4.28Å; I16-Y255 HydrophobicContact CD1-CE2 4.46Å; I16-Y255 HydrophobicContact CG1-CD2 3.73Å; I16-Y255 HydrophobicContact CG1-CE2 4.16Å; I253-Y255 PolarHBondContact O-N 3.15Å; I253-Y255 VanDerWaalsContact O-N 3.11Å; Y255-G257 VanDerWaalsContact CE1-O 3.26Å; Y255-G257 WeakPolarHBondContact CE1-O 3.48Å; Y255-H273 HydrophobicContact CD2-CB 4.16Å; Y255-H273 AromaticContact CD2-CD2 3.3Å; Y255-H273 WeakPolarHBondContact CD2-CD2 3.28Å; Y255-H273 AromaticContact CD2-CG 3.93Å; Y255-H273 AromaticContact CE2-CD2 3.67Å; Y255-H273 HydrophobicContact CG-CB 4.01Å; Y255-F274 HydrophobicContact CD1-CD2 4.48Å; Y255-F274 AromaticContact CD1-CE2 3.36Å; Y255-F274 HydrophobicContact CD1-CE2 3.36Å; Y255-F274 AromaticContact CD1-CZ 3.67Å; Y255-F274 HydrophobicContact CD1-CZ 3.67Å; Y255-F274 AromaticContact CE1-CE2 3.88Å; Y255-F274 HydrophobicContact CE1-CE2 3.88Å; Y255-F274 HydrophobicContact CE1-CZ 4.42Å; Y255-F274 HydrophobicContact CG-CE2 4.18Å; Y255-S425 PolarHBondContact O-OG 2.83Å |
| 256 | L | 77.3 | Confident | 76.3 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | trans | -114.9 | 22.5 | 177.2 | -56.3 | 175.9 | 0 | 0 | 0 | 112.8 | Q15 I17 F302 W393 A396 V398 | Q15-L256 HydrophobicContact CB-CB 4.19Å; Q15-L256 WeakPolarHBondContact O-CA 3.29Å; Q15-L256 WeakPolarHBondContact O-CB 3.34Å; Q15-L256 PolarHBondContact O-N 3.36Å; I17-L256 HydrophobicContact CD1-CD1 3.47Å; I17-L256 VanDerWaalsContact CD1-CD1 3.47Å; I17-L256 HydrophobicContact CG1-CD1 3.85Å; L256-F302 HydrophobicContact CD2-CD1 3.92Å; L256-F302 HydrophobicContact CD2-CE1 4.31Å; L256-W393 HydrophobicContact CB-CB 4.4Å; L256-W393 HydrophobicContact CB-CD2 4.33Å; L256-W393 HydrophobicContact CB-CG 4.07Å; L256-W393 HydrophobicContact CD1-CD2 3.94Å; L256-W393 HydrophobicContact CD1-CE3 4.32Å; L256-W393 HydrophobicContact CD1-CG 4.47Å; L256-W393 HydrophobicContact CD1-CH2 4.14Å; L256-W393 HydrophobicContact CD1-CZ2 3.76Å; L256-W393 HydrophobicContact CD1-CZ3 4.42Å; L256-W393 HydrophobicContact CD2-CD2 4.43Å; L256-W393 HydrophobicContact CD2-CE3 4.27Å; L256-W393 HydrophobicContact CG-CD2 4.49Å; L256-W393 CarbonylContact O-C 3.6Å; L256-W393 WeakPolarHBondContact O-CA 3.39Å; L256-A396 HydrophobicContact CB-CB 4.21Å; L256-A396 HydrophobicContact CD2-CB 3.81Å; L256-V398 HydrophobicContact CD2-CG2 4.16Å | ||
| 257 | G | 70.1 | Confident | 74.5 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -97.9 | -177.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y255 V259 F304 | Y255-G257 VanDerWaalsContact CE1-O 3.26Å; Y255-G257 WeakPolarHBondContact CE1-O 3.48Å; G257-V259 PolarHBondContact O-N 2.93Å; G257-F304 VanDerWaalsContact O-CE2 3.3Å; G257-F304 WeakPolarHBondContact O-CE2 3.11Å |
| 258 | N | 70.5 | Confident | 73 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | trans | -73 | 124.9 | 179.5 | -168.9 | -46.1 | 0 | 0 | 0 | 112.3 | T260 Q261 D394 | N258-T260 PolarHBondContact O-N 3.05Å; N258-T260 VanDerWaalsContact O-N 3.1Å; N258-T260 WeakPolarHBondContact OD1-CB 3.38Å; N258-T260 PolarHBondContact OD1-N 3.36Å; N258-T260 PolarHBondContact OD1-OG1 3.16Å; N258-Q261 HydrophobicContact CB-CB 4.25Å; N258-Q261 HydrophobicContact CB-CG 3.86Å; N258-Q261 PolarHBondContact O-N 2.95Å; N258-Q261 VanDerWaalsContact O-N 3.1Å; N258-D394 HydrophobicContact CB-CB 4.25Å; N258-D394 VanDerWaalsContact CB-OD2 3.31Å; N258-D394 WeakPolarHBondContact CB-OD2 3.48Å; N258-D394 PolarHBondContact ND2-OD2 2.87Å | ||
| 259 | V | 69.5 | Low | 72 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -30.1 | 176 | 171.5 | 0 | 0 | 0 | 0 | 113.9 | Q224 F226 G257 G271 F274 F304 L309 L423 | Q224-V259 PolarHBondContact NE2-O 2.9Å; F226-V259 HydrophobicContact CE1-CG1 3.61Å; F226-V259 HydrophobicContact CZ-CG1 3.59Å; G257-V259 PolarHBondContact O-N 2.93Å; V259-G271 PolarHBondContact O-N 2.94Å; V259-F274 HydrophobicContact CB-CE2 4.27Å; V259-F274 HydrophobicContact CG2-CD1 4.18Å; V259-F274 HydrophobicContact CG2-CD2 3.79Å; V259-F274 HydrophobicContact CG2-CE1 3.87Å; V259-F274 HydrophobicContact CG2-CE2 3.44Å; V259-F274 VanDerWaalsContact CG2-CE2 3.44Å; V259-F274 HydrophobicContact CG2-CG 4.13Å; V259-F274 HydrophobicContact CG2-CZ 3.48Å; V259-F274 VanDerWaalsContact CG2-CZ 3.48Å; V259-F304 HydrophobicContact CB-CD1 4.22Å; V259-F304 HydrophobicContact CB-CE1 3.89Å; V259-F304 HydrophobicContact CB-CZ 4.21Å; V259-F304 HydrophobicContact CG2-CB 4.26Å; V259-F304 HydrophobicContact CG2-CD1 3.36Å; V259-F304 HydrophobicContact CG2-CD2 3.79Å; V259-F304 HydrophobicContact CG2-CE1 3.44Å; V259-F304 VanDerWaalsContact CG2-CE1 3.44Å; V259-F304 HydrophobicContact CG2-CE2 3.91Å; V259-F304 HydrophobicContact CG2-CG 3.54Å; V259-F304 HydrophobicContact CG2-CZ 3.75Å; V259-L309 HydrophobicContact CB-CD1 3.86Å; V259-L309 HydrophobicContact CG1-CD1 3.62Å; V259-L309 HydrophobicContact CG2-CD1 4.38Å; V259-L423 HydrophobicContact CG1-CD1 4.37Å; V259-L423 HydrophobicContact CG2-CD1 4.16Å |
| 260 | T | 63.8 | Low | 70.7 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -8.7 | -176.5 | 68 | 0 | 0 | 0 | 0 | 114.3 | N258 | N258-T260 PolarHBondContact O-N 3.05Å; N258-T260 VanDerWaalsContact O-N 3.1Å; N258-T260 WeakPolarHBondContact OD1-CB 3.38Å; N258-T260 PolarHBondContact OD1-N 3.36Å; N258-T260 PolarHBondContact OD1-OG1 3.16Å |
| 261 | Q | 61.5 | Low | 69.9 | Low | 108 Ų | 108 | 41 Ų | 41 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -85.7 | 156.1 | 177.1 | -67.6 | -177.6 | 48.9 | 0 | 0 | 111 | N258 | N258-Q261 HydrophobicContact CB-CB 4.25Å; N258-Q261 HydrophobicContact CB-CG 3.86Å; N258-Q261 PolarHBondContact O-N 2.95Å; N258-Q261 VanDerWaalsContact O-N 3.1Å |
| 262 | H | 57.4 | Low | 69.7 | Low | 100 Ų | 100 | 40.6 Ų | 40.6 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 122.9 | 177.4 | -68.1 | -102.1 | 0 | 0 | 0 | 108.8 | P267 | H262-P267 PolarHBondContact ND1-O 3.02Š|
| 263 | S | 61.5 | Low | 69.8 | Low | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 141.2 | 173 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | E14 S265 H266 P267 H273 | E14-S263 WeakPolarHBondContact OE1-CA 3.41Å; E14-S263 WeakPolarHBondContact OE2-CA 3.45Å; E14-S263 PolarHBondContact OE2-OG 3Å; S263-S265 PolarHBondContact O-N 3.18Å; S263-S265 PolarHBondContact OG-N 2.86Å; S263-S265 VanDerWaalsContact OG-N 3.12Å; S263-H266 CarbonylContact O-C 3.45Å; S263-H266 PolarHBondContact O-N 2.94Å; S263-H266 VanDerWaalsContact O-N 3.15Å; S263-P267 WeakPolarHBondContact O-CA 3.42Å; S263-P267 WeakPolarHBondContact O-CD 3.31Å; S263-H273 PolarHBondContact OG-NE2 3.42Å |
| 264 | D | 54.8 | Low | 70.1 | Confident | 115 Ų | 115 | 39.1 Ų | 39.1 | 62% | 0.615 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -61.9 | -28.7 | 171.6 | -84.4 | -29.2 | 0 | 0 | 0 | 111.2 | E14 | E14-D264 HydrophobicContact CG-CB 4.45Å; E14-D264 PolarHBondContact OE2-N 3.06Å |
| 265 | S | 59.3 | Low | 70.7 | Confident | 57 Ų | 57 | 39.1 Ų | 39.1 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -76.4 | -37.9 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | S263 P267 | S263-S265 PolarHBondContact O-N 3.18Å; S263-S265 PolarHBondContact OG-N 2.86Å; S263-S265 VanDerWaalsContact OG-N 3.12Å; S265-P267 VanDerWaalsContact C-CD 3.45Å |
| 266 | H | 66.1 | Low | 71.3 | Confident | 48 Ų | 48 | 38.7 Ų | 38.7 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | trans | -129.6 | 61.7 | -174.9 | -64 | 115.3 | 0 | 0 | 0 | 112.4 | S263 A268 Q269 F272 H273 | S263-H266 CarbonylContact O-C 3.45Å; S263-H266 PolarHBondContact O-N 2.94Å; S263-H266 VanDerWaalsContact O-N 3.15Å; H266-A268 PolarHBondContact O-N 3.27Å; H266-Q269 CarbonylContact O-C 3.16Å; H266-Q269 PolarHBondContact O-N 2.86Å; H266-F272 HydrophobicContact CB-CB 3.95Å; H266-F272 HydrophobicContact CB-CD1 4.45Å; H266-F272 HydrophobicContact CB-CG 4.08Å; H266-F272 AromaticContact CE1-CD1 3.47Å; H266-F272 VanDerWaalsContact CE1-CD1 3.47Å; H266-F272 WeakPolarHBondContact CE1-CD1 3.21Å; H266-F272 AromaticContact CE1-CE1 3.24Å; H266-F272 WeakPolarHBondContact CE1-CE1 3.36Å; H266-F272 AromaticContact CE1-CZ 3.79Å; H266-F272 AromaticContact CG-CD1 3.77Å; H266-F272 AromaticContact CG-CG 3.78Å; H266-F272 AromaticContact ND1-CD1 3.13Å; H266-F272 WeakPolarHBondContact ND1-CD1 3.17Å; H266-F272 AromaticContact ND1-CE1 3.47Å; H266-F272 WeakPolarHBondContact ND1-CE1 3.42Å; H266-F272 AromaticContact ND1-CG 3.64Å; H266-F272 AromaticContact NE2-CE1 3.89Å; H266-F272 AromaticContact NE2-CZ 3.97Å; H266-H273 AromaticContact ND1-CE1 3.63Å | ||
| 267 | P | 58.8 | Low | 72.2 | Confident | 82 Ų | 82 | 38.8 Ų | 38.8 | 53% | 0.532 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.6 | -170.7 | 26.9 | -36 | 0 | 0 | 0 | 113.8 | H262 S263 S265 | H262-P267 PolarHBondContact ND1-O 3.02Å; S263-P267 WeakPolarHBondContact O-CA 3.42Å; S263-P267 WeakPolarHBondContact O-CD 3.31Å; S265-P267 VanDerWaalsContact C-CD 3.45Å |
| 268 | A | 63.1 | Low | 73.3 | Confident | 88 Ų | 88 | 41.9 Ų | 41.9 | 73% | 0.727 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H266 | H266-A268 PolarHBondContact O-N 3.27Š|
| 269 | Q | 70.5 | Confident | 74.3 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -136.5 | 80.8 | -169.7 | -58.4 | -170.7 | 52.8 | 0 | 0 | 111.3 | H266 G271 F272 | H266-Q269 CarbonylContact O-C 3.16Å; H266-Q269 PolarHBondContact O-N 2.86Å; Q269-G271 PolarHBondContact O-N 2.95Å; Q269-F272 HydrophobicContact CB-CB 4.12Å; Q269-F272 HydrophobicContact CB-CD2 4.36Å; Q269-F272 WeakPolarHBondContact O-CB 3.12Å; Q269-F272 PolarHBondContact O-N 3.1Å |
| 270 | P | 67.7 | Low | 75.3 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 129.1 | 174 | -21.2 | 33 | 0 | 0 | 0 | 111.1 | I222 | I222-P270 HydrophobicContact CD1-CG 4.46Š|
| 271 | G | 77.1 | Confident | 76.4 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 3.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V259 Q269 H273 F274 | V259-G271 PolarHBondContact O-N 2.94Å; Q269-G271 PolarHBondContact O-N 2.95Å; G271-H273 PolarHBondContact O-N 3.24Å; G271-H273 VanDerWaalsContact O-N 3.1Å; G271-F274 WeakPolarHBondContact O-CB 3.09Å; G271-F274 PolarHBondContact O-N 3.28Å |
| 272 | F | 83.4 | Confident | 77.9 | Confident | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -39.7 | -179.6 | 179.2 | -83.8 | 0 | 0 | 0 | 114.3 | L229 T230 Q248 H266 Q269 F274 | L229-F272 HydrophobicContact CB-CE2 4.16Å; L229-F272 HydrophobicContact CD1-CD2 4.08Å; L229-F272 HydrophobicContact CD1-CE2 4.12Å; T230-F272 HydrophobicContact CG2-CE1 4.41Å; T230-F272 HydrophobicContact CG2-CZ 3.81Å; Q248-F272 PolarHBondContact NE2-O 2.9Å; H266-F272 HydrophobicContact CB-CB 3.95Å; H266-F272 HydrophobicContact CB-CD1 4.45Å; H266-F272 HydrophobicContact CB-CG 4.08Å; H266-F272 AromaticContact CE1-CD1 3.47Å; H266-F272 VanDerWaalsContact CE1-CD1 3.47Å; H266-F272 WeakPolarHBondContact CE1-CD1 3.21Å; H266-F272 AromaticContact CE1-CE1 3.24Å; H266-F272 WeakPolarHBondContact CE1-CE1 3.36Å; H266-F272 AromaticContact CE1-CZ 3.79Å; H266-F272 AromaticContact CG-CD1 3.77Å; H266-F272 AromaticContact CG-CG 3.78Å; H266-F272 AromaticContact ND1-CD1 3.13Å; H266-F272 WeakPolarHBondContact ND1-CD1 3.17Å; H266-F272 AromaticContact ND1-CE1 3.47Å; H266-F272 WeakPolarHBondContact ND1-CE1 3.42Å; H266-F272 AromaticContact ND1-CG 3.64Å; H266-F272 AromaticContact NE2-CE1 3.89Å; H266-F272 AromaticContact NE2-CZ 3.97Å; Q269-F272 HydrophobicContact CB-CB 4.12Å; Q269-F272 HydrophobicContact CB-CD2 4.36Å; Q269-F272 WeakPolarHBondContact O-CB 3.12Å; Q269-F272 PolarHBondContact O-N 3.1Å; F272-F274 PolarHBondContact O-N 3.33Å |
| 273 | H | 85.6 | Confident | 79.6 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 18.1 | 179.2 | -52.6 | -69.8 | 0 | 0 | 0 | 113.8 | Y255 S263 H266 G271 S425 | Y255-H273 HydrophobicContact CD2-CB 4.16Å; Y255-H273 AromaticContact CD2-CD2 3.3Å; Y255-H273 WeakPolarHBondContact CD2-CD2 3.28Å; Y255-H273 AromaticContact CD2-CG 3.93Å; Y255-H273 AromaticContact CE2-CD2 3.67Å; Y255-H273 HydrophobicContact CG-CB 4.01Å; S263-H273 PolarHBondContact OG-NE2 3.42Å; H266-H273 AromaticContact ND1-CE1 3.63Å; G271-H273 PolarHBondContact O-N 3.24Å; G271-H273 VanDerWaalsContact O-N 3.1Å; H273-S425 VanDerWaalsContact O-CA 3.24Å; H273-S425 WeakPolarHBondContact O-CA 3.27Å; H273-S425 WeakPolarHBondContact O-CB 3.35Å |
| 274 | F | 90.9 | Very high | 81.3 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | trans | -133.2 | 138.5 | 178.4 | -67.5 | -90 | 0 | 0 | 0 | 111.4 | F226 Y255 V259 G271 F272 F304 L423 L424 | F226-F274 WeakPolarHBondContact CA-O 3.31Å; F226-F274 HydrophobicContact CD1-CB 3.97Å; F226-F274 HydrophobicContact CE1-CB 4.29Å; Y255-F274 HydrophobicContact CD1-CD2 4.48Å; Y255-F274 AromaticContact CD1-CE2 3.36Å; Y255-F274 HydrophobicContact CD1-CE2 3.36Å; Y255-F274 AromaticContact CD1-CZ 3.67Å; Y255-F274 HydrophobicContact CD1-CZ 3.67Å; Y255-F274 AromaticContact CE1-CE2 3.88Å; Y255-F274 HydrophobicContact CE1-CE2 3.88Å; Y255-F274 HydrophobicContact CE1-CZ 4.42Å; Y255-F274 HydrophobicContact CG-CE2 4.18Å; V259-F274 HydrophobicContact CB-CE2 4.27Å; V259-F274 HydrophobicContact CG2-CD1 4.18Å; V259-F274 HydrophobicContact CG2-CD2 3.79Å; V259-F274 HydrophobicContact CG2-CE1 3.87Å; V259-F274 HydrophobicContact CG2-CE2 3.44Å; V259-F274 VanDerWaalsContact CG2-CE2 3.44Å; V259-F274 HydrophobicContact CG2-CG 4.13Å; V259-F274 HydrophobicContact CG2-CZ 3.48Å; V259-F274 VanDerWaalsContact CG2-CZ 3.48Å; G271-F274 WeakPolarHBondContact O-CB 3.09Å; G271-F274 PolarHBondContact O-N 3.28Å; F272-F274 PolarHBondContact O-N 3.33Å; F274-F304 HydrophobicContact CE1-CB 4.09Å; F274-F304 HydrophobicContact CE1-CD2 4.14Å; F274-F304 HydrophobicContact CE1-CG 4.34Å; F274-F304 HydrophobicContact CZ-CD2 4.01Å; F274-L423 HydrophobicContact CD1-CB 4.43Å; F274-L424 CarbonylContact C-O 3.56Å; F274-L424 VanDerWaalsContact CA-O 3.31Å; F274-L424 WeakPolarHBondContact CA-O 3.22Å | ||
| 275 | I | 94.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.7 | 166.1 | -58.2 | 162.9 | 0 | 0 | 0 | 107.8 | M201 F226 D228 Q248 L249 W277 L424 | M201-I275 HydrophobicContact CE-CD1 4.04Å; M201-I275 HydrophobicContact CE-CG2 4.15Å; F226-I275 CarbonylContact O-C 3.56Å; F226-I275 VanDerWaalsContact O-CA 3.25Å; F226-I275 WeakPolarHBondContact O-CA 3.25Å; F226-I275 WeakPolarHBondContact O-CG2 3.43Å; D228-I275 HydrophobicContact CB-CD1 3.53Å; D228-I275 HydrophobicContact CB-CG1 4.09Å; D228-I275 VanDerWaalsContact CG-CD1 3.42Å; Q248-I275 HydrophobicContact CB-CD1 3.75Å; Q248-I275 HydrophobicContact CB-CG1 4.24Å; L249-I275 HydrophobicContact CD2-CB 4.25Å; L249-I275 HydrophobicContact CD2-CD1 3.84Å; L249-I275 HydrophobicContact CD2-CG1 4.46Å; L249-I275 HydrophobicContact CG-CD1 3.7Å; I275-W277 HydrophobicContact CB-CH2 3.93Å; I275-W277 HydrophobicContact CB-CZ2 4.39Å; I275-W277 HydrophobicContact CB-CZ3 4.31Å; I275-W277 HydrophobicContact CG2-CH2 3.39Å; I275-W277 HydrophobicContact CG2-CZ2 3.37Å; I275-W277 HydrophobicContact CG2-CZ3 3.99Å; I275-W277 WeakPolarHBondContact O-CZ3 3.35Å; I275-L424 PolarHBondContact N-O 2.83Å; I275-L424 PolarHBondContact O-N 3.3Å |
| 276 | G | 94.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 140.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G204 D205 F226 I422 | G204-G276 CarbonylContact C-O 3.51Å; G204-G276 VanDerWaalsContact CA-O 3.31Å; G204-G276 WeakPolarHBondContact CA-O 3.49Å; D205-G276 PolarHBondContact N-O 3.13Å; F226-G276 PolarHBondContact O-N 3.01Å; G276-I422 VanDerWaalsContact CA-O 3.29Å; G276-I422 WeakPolarHBondContact CA-O 3.19Å |
| 277 | W | 94.8 | Very high | 86.8 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.8 | -174.6 | -55.8 | -95.1 | 0 | 0 | 0 | 111.3 | M201 P202 L249 I275 V279 L284 I286 W421 I422 L424 | M201-W277 HydrophobicContact CE-CH2 4.47Å; M201-W277 HydrophobicContact CE-CZ2 3.96Å; M201-W277 HydrophobicContact CG-CZ2 4.43Å; M201-W277 HydrophobicContact SD-CH2 4.26Å; M201-W277 HydrophobicContact SD-CZ2 3.78Å; P202-W277 PolarHBondContact O-NE1 2.84Å; L249-W277 HydrophobicContact CD1-CH2 4.36Å; I275-W277 HydrophobicContact CB-CH2 3.93Å; I275-W277 HydrophobicContact CB-CZ2 4.39Å; I275-W277 HydrophobicContact CB-CZ3 4.31Å; I275-W277 HydrophobicContact CG2-CH2 3.39Å; I275-W277 HydrophobicContact CG2-CZ2 3.37Å; I275-W277 HydrophobicContact CG2-CZ3 3.99Å; I275-W277 WeakPolarHBondContact O-CZ3 3.35Å; W277-V279 HydrophobicContact CB-CG1 3.97Å; W277-V279 HydrophobicContact CB-CG2 4.21Å; W277-V279 PolarHBondContact O-N 3.18Å; W277-L284 HydrophobicContact CD2-CD1 3.82Å; W277-L284 HydrophobicContact CD2-CD2 3.52Å; W277-L284 HydrophobicContact CD2-CG 4.31Å; W277-L284 HydrophobicContact CE3-CD1 4.49Å; W277-L284 HydrophobicContact CE3-CD2 3.32Å; W277-L284 HydrophobicContact CG-CD1 3.88Å; W277-L284 HydrophobicContact CG-CD2 4.18Å; W277-L284 HydrophobicContact CH2-CD2 3.93Å; W277-L284 HydrophobicContact CZ2-CD1 4.26Å; W277-L284 HydrophobicContact CZ2-CD2 4.1Å; W277-L284 HydrophobicContact CZ3-CD2 3.56Å; W277-I286 HydrophobicContact CH2-CD1 4.28Å; W277-W421 WeakPolarHBondContact O-CA 3.31Å; W277-I422 PolarHBondContact N-O 3.45Å; W277-I422 PolarHBondContact O-N 2.97Å; W277-L424 HydrophobicContact CH2-CD1 4.13Å; W277-L424 HydrophobicContact CZ3-CB 4.18Å; W277-L424 HydrophobicContact CZ3-CD1 3.86Å; W277-L424 HydrophobicContact CZ3-CG 3.93Å |
| 278 | N | 93.1 | Very high | 88.7 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 78.4 | 177.2 | -169.7 | 8 | 0 | 0 | 0 | 109.6 | D205 P280 S420 W421 | D205-N278 PolarHBondContact OD2-N 3.33Å; N278-P280 WeakPolarHBondContact O-CD 3.5Å; N278-S420 CarbonylContact C-O 3.58Å; N278-S420 WeakPolarHBondContact CA-O 3.46Å; N278-S420 PolarHBondContact OD1-O 2.93Å; N278-W421 HydrophobicContact CB-CD2 4.11Å; N278-W421 HydrophobicContact CB-CE3 4.33Å; N278-W421 HydrophobicContact CB-CH2 3.87Å; N278-W421 HydrophobicContact CB-CZ2 3.58Å; N278-W421 HydrophobicContact CB-CZ3 4.24Å |
| 279 | V | 91.8 | Very high | 90.3 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | trans | -115.2 | 54.5 | -171 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | W277 N281 K282 S417 S420 I422 | W277-V279 HydrophobicContact CB-CG1 3.97Å; W277-V279 HydrophobicContact CB-CG2 4.21Å; W277-V279 PolarHBondContact O-N 3.18Å; V279-N281 PolarHBondContact O-N 2.57Å; V279-K282 HydrophobicContact CB-CB 4.1Å; V279-K282 PolarHBondContact O-N 3.36Å; V279-S417 VanDerWaalsContact O-CB 3.24Å; V279-S417 WeakPolarHBondContact O-CB 3.23Å; V279-S417 PolarHBondContact O-OG 3.33Å; V279-S417 VanDerWaalsContact O-OG 3.11Å; V279-S420 PolarHBondContact N-O 2.8Å; V279-I422 HydrophobicContact CG2-CD1 3.87Å; V279-I422 HydrophobicContact CG2-CG1 4.02Å | ||
| 280 | P | 90.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 38% | 0.383 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 125.6 | -175.1 | 25.4 | -34.4 | 0 | 0 | 0 | 112.2 | N278 K282 | N278-P280 WeakPolarHBondContact O-CD 3.5Å; P280-K282 PolarHBondContact O-N 2.88Å |
| 281 | N | 87.4 | Confident | 93 | Very high | 153 Ų | 153 | 35.8 Ų | 35.8 | 82% | 0.818 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34.5 | -175.1 | -53.5 | -51.7 | 0 | 0 | 0 | 113.3 | V279 S417 | V279-N281 PolarHBondContact O-N 2.57Å; N281-S417 WeakPolarHBondContact CA-OG 3.06Å; N281-S417 PolarHBondContact N-OG 2.96Å |
| 282 | K | 92.6 | Very high | 93.8 | Very high | 138 Ų | 138 | 39.6 Ų | 39.6 | 60% | 0.6 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -132 | 170.4 | 177.5 | -68.4 | 179.1 | -179.9 | -179.5 | 0 | 110.6 | V279 P280 S417 | V279-K282 HydrophobicContact CB-CB 4.1Å; V279-K282 PolarHBondContact O-N 3.36Å; P280-K282 PolarHBondContact O-N 2.88Å; K282-S417 PolarHBondContact N-OG 3.2Å; K282-S417 PolarHBondContact O-N 2.91Å; K282-S417 PolarHBondContact O-OG 3.2Å |
| 283 | S | 94.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.3 | 173.7 | -46.4 | 0 | 0 | 0 | 0 | 111 | L415 T416 | S283-L415 CarbonylContact C-O 3.54Å; S283-L415 VanDerWaalsContact CA-O 3.22Å; S283-L415 WeakPolarHBondContact CA-O 3.36Å; S283-T416 PolarHBondContact OG-OG1 3.5Å |
| 284 | L | 97 | Very high | 95 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.6 | 168.4 | 169.7 | 67.5 | 0 | 0 | 0 | 108.6 | P202 W277 I286 T414 L415 I422 | P202-L284 HydrophobicContact CG-CD1 4.1Å; W277-L284 HydrophobicContact CD2-CD1 3.82Å; W277-L284 HydrophobicContact CD2-CD2 3.52Å; W277-L284 HydrophobicContact CD2-CG 4.31Å; W277-L284 HydrophobicContact CE3-CD1 4.49Å; W277-L284 HydrophobicContact CE3-CD2 3.32Å; W277-L284 HydrophobicContact CG-CD1 3.88Å; W277-L284 HydrophobicContact CG-CD2 4.18Å; W277-L284 HydrophobicContact CH2-CD2 3.93Å; W277-L284 HydrophobicContact CZ2-CD1 4.26Å; W277-L284 HydrophobicContact CZ2-CD2 4.1Å; W277-L284 HydrophobicContact CZ3-CD2 3.56Å; L284-I286 HydrophobicContact CD2-CD1 4.23Å; L284-I286 HydrophobicContact CD2-CG1 4.44Å; L284-I286 HydrophobicContact CG-CG1 4.25Å; L284-T414 CarbonylContact O-C 3.58Å; L284-T414 VanDerWaalsContact O-CA 3.28Å; L284-T414 WeakPolarHBondContact O-CA 3.44Å; L284-L415 PolarHBondContact N-O 3.4Å; L284-L415 PolarHBondContact O-N 2.91Å; L284-I422 HydrophobicContact CB-CD1 4.2Å; L284-I422 HydrophobicContact CD2-CG2 4.37Å |
| 285 | R | 97.4 | Very high | 95.3 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 41% | 0.411 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.4 | 174.6 | -173.9 | 178.3 | -174.2 | -129.6 | 5 | 110.9 | E320 S412 L413 | R285-E320 IonicContact NE-OE2 3.58Å; R285-E320 IonicContact NH2-OE2 3.41Å; R285-S412 PolarHBondContact NE-OG 3.34Å; R285-S412 PolarHBondContact NH2-OG 3.03Å; R285-S412 VanDerWaalsContact NH2-OG 3.15Å; R285-L413 WeakPolarHBondContact CA-O 3.28Å |
| 286 | I | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.5 | 175.6 | -52.1 | 176.1 | 0 | 0 | 0 | 107.8 | M201 L249 W277 L284 F288 L413 L424 | M201-I286 HydrophobicContact CB-CB 4.31Å; M201-I286 HydrophobicContact CB-CG1 3.97Å; M201-I286 HydrophobicContact CB-CG2 4.17Å; M201-I286 HydrophobicContact SD-CD1 4.28Å; M201-I286 HydrophobicContact SD-CG1 4.29Å; M201-I286 HydrophobicContact SD-CG2 4.16Å; L249-I286 HydrophobicContact CD1-CD1 3.9Å; W277-I286 HydrophobicContact CH2-CD1 4.28Å; L284-I286 HydrophobicContact CD2-CD1 4.23Å; L284-I286 HydrophobicContact CD2-CG1 4.44Å; L284-I286 HydrophobicContact CG-CG1 4.25Å; I286-F288 HydrophobicContact CB-CE2 3.91Å; I286-F288 HydrophobicContact CB-CZ 4.38Å; I286-F288 HydrophobicContact CG2-CD2 4.02Å; I286-F288 HydrophobicContact CG2-CE1 4.23Å; I286-F288 HydrophobicContact CG2-CE2 3.38Å; I286-F288 HydrophobicContact CG2-CZ 3.5Å; I286-L413 PolarHBondContact N-O 3.35Å; I286-L413 PolarHBondContact O-N 3.03Å; I286-L424 HydrophobicContact CD1-CD1 3.83Å |
| 287 | L | 98.5 | Very high | 95.5 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.8 | 178.7 | 176.6 | 60.6 | 0 | 0 | 0 | 110.2 | Y199 S200 F328 Y410 | Y199-L287 CarbonylContact C-O 3.55Å; Y199-L287 VanDerWaalsContact CA-O 3.28Å; Y199-L287 WeakPolarHBondContact CA-O 3.32Å; S200-L287 PolarHBondContact N-O 3.36Å; S200-L287 PolarHBondContact O-N 3.38Å; L287-F328 HydrophobicContact CD1-CE1 4.22Å; L287-F328 HydrophobicContact CD1-CZ 3.79Å; L287-Y410 HydrophobicContact CD1-CD1 4.5Å |
| 288 | F | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136.4 | 175.4 | -62.2 | -93 | 0 | 0 | 0 | 110.7 | V196 Y199 M250 I286 F290 Y410 V411 L413 V427 F429 | V196-F288 HydrophobicContact CG1-CD1 4.08Å; V196-F288 HydrophobicContact CG2-CD1 4.16Å; Y199-F288 HydrophobicContact CD1-CE1 4.21Å; Y199-F288 HydrophobicContact CG-CE1 4.38Å; M250-F288 HydrophobicContact SD-CD1 4.36Å; M250-F288 HydrophobicContact SD-CE1 3.83Å; I286-F288 HydrophobicContact CB-CE2 3.91Å; I286-F288 HydrophobicContact CB-CZ 4.38Å; I286-F288 HydrophobicContact CG2-CD2 4.02Å; I286-F288 HydrophobicContact CG2-CE1 4.23Å; I286-F288 HydrophobicContact CG2-CE2 3.38Å; I286-F288 HydrophobicContact CG2-CZ 3.5Å; F288-F290 HydrophobicContact CB-CE2 3.7Å; F288-F290 HydrophobicContact CB-CZ 4.04Å; F288-Y410 CarbonylContact O-C 3.52Å; F288-Y410 VanDerWaalsContact O-CA 3.26Å; F288-Y410 WeakPolarHBondContact O-CA 3.5Å; F288-V411 PolarHBondContact N-O 3.38Å; F288-V411 PolarHBondContact O-N 2.96Å; F288-L413 HydrophobicContact CE2-CB 4.06Å; F288-L413 HydrophobicContact CE2-CD2 4.25Å; F288-V427 HydrophobicContact CE1-CB 4.42Å; F288-V427 HydrophobicContact CE1-CG1 4.35Å; F288-V427 HydrophobicContact CE2-CG1 4.46Å; F288-V427 HydrophobicContact CZ-CB 4.09Å; F288-V427 HydrophobicContact CZ-CG1 3.83Å; F288-V427 HydrophobicContact CZ-CG2 4.2Å; F288-F429 HydrophobicContact CB-CE2 4.46Å; F288-F429 HydrophobicContact CB-CZ 4.34Å; F288-F429 AromaticContact CD1-CE2 3.67Å; F288-F429 HydrophobicContact CD1-CE2 3.67Å; F288-F429 HydrophobicContact CD1-CZ 4.09Å; F288-F429 HydrophobicContact CD2-CE2 4.06Å; F288-F429 AromaticContact CD2-CZ 3.6Å; F288-F429 HydrophobicContact CD2-CZ 3.6Å; F288-F429 AromaticContact CE1-CE2 3.83Å; F288-F429 HydrophobicContact CE1-CE2 3.83Å; F288-F429 HydrophobicContact CE1-CZ 4.3Å; F288-F429 HydrophobicContact CE2-CE2 4.18Å; F288-F429 AromaticContact CE2-CZ 3.82Å; F288-F429 HydrophobicContact CE2-CZ 3.82Å; F288-F429 AromaticContact CG-CE2 3.8Å; F288-F429 HydrophobicContact CG-CE2 3.8Å; F288-F429 AromaticContact CG-CZ 3.74Å; F288-F429 HydrophobicContact CG-CZ 3.74Å; F288-F429 HydrophobicContact CZ-CE2 4.08Å; F288-F429 HydrophobicContact CZ-CZ 4.17Å |
| 289 | K | 98 | Very high | 95.6 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.7 | 169 | -175.2 | -168 | 175.8 | -160.5 | 0 | 109.1 | E128 I197 S198 Y410 | E128-K289 WeakPolarHBondContact OE1-CE 3.45Å; E128-K289 IonicContact OE1-NZ 2.72Å; E128-K289 PolarHBondContact OE1-NZ 2.97Å; E128-K289 IonicContact OE2-NZ 2.69Å; E128-K289 PolarHBondContact OE2-NZ 2.68Å; I197-K289 HydrophobicContact CD1-CD 3.62Å; I197-K289 HydrophobicContact CD1-CG 3.81Å; I197-K289 HydrophobicContact CG1-CB 4.23Å; I197-K289 HydrophobicContact CG1-CD 4.11Å; I197-K289 HydrophobicContact CG1-CG 3.98Å; I197-K289 WeakPolarHBondContact CG1-O 3.43Å; I197-K289 PolarHBondContact N-O 3.19Å; S198-K289 PolarHBondContact O-N 3.49Å; K289-Y410 HydrophobicContact CB-CD1 3.97Å; K289-Y410 HydrophobicContact CB-CE1 3.88Å; K289-Y410 HydrophobicContact CD-CE1 3.94Å; K289-Y410 HydrophobicContact CG-CD1 3.98Å; K289-Y410 HydrophobicContact CG-CE1 3.52Å |
| 290 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.4 | -179 | -63.3 | -97.7 | 0 | 0 | 0 | 112.3 | D194 G195 V196 I197 F288 E292 F296 R409 V411 F429 | D194-F290 WeakPolarHBondContact O-CD1 3.34Å; D194-F290 VanDerWaalsContact O-CE1 3.29Å; D194-F290 WeakPolarHBondContact O-CE1 3.31Å; G195-F290 CarbonylContact O-C 3.58Å; G195-F290 WeakPolarHBondContact O-CA 3.35Å; V196-F290 HydrophobicContact CG2-CD1 4.07Å; V196-F290 HydrophobicContact CG2-CE1 3.47Å; V196-F290 VanDerWaalsContact CG2-CE1 3.47Å; V196-F290 HydrophobicContact CG2-CZ 3.83Å; I197-F290 WeakPolarHBondContact CD1-O 3.16Å; F288-F290 HydrophobicContact CB-CE2 3.7Å; F288-F290 HydrophobicContact CB-CZ 4.04Å; F290-E292 VanDerWaalsContact C-N 3.33Å; F290-E292 PolarHBondContact O-N 3.04Å; F290-F296 HydrophobicContact CD1-CE1 4.2Å; F290-F296 HydrophobicContact CD1-CZ 4.02Å; F290-F296 HydrophobicContact CD2-CE1 4.42Å; F290-F296 AromaticContact CD2-CZ 3.81Å; F290-F296 HydrophobicContact CD2-CZ 3.81Å; F290-F296 AromaticContact CE1-CE1 3.65Å; F290-F296 HydrophobicContact CE1-CE1 3.65Å; F290-F296 AromaticContact CE1-CZ 3.89Å; F290-F296 HydrophobicContact CE1-CZ 3.89Å; F290-F296 AromaticContact CE2-CE1 3.92Å; F290-F296 HydrophobicContact CE2-CE1 3.92Å; F290-F296 AromaticContact CE2-CZ 3.69Å; F290-F296 HydrophobicContact CE2-CZ 3.69Å; F290-F296 AromaticContact CG-CZ 3.99Å; F290-F296 HydrophobicContact CG-CZ 3.99Å; F290-F296 AromaticContact CZ-CE1 3.5Å; F290-F296 HydrophobicContact CZ-CE1 3.5Å; F290-F296 AromaticContact CZ-CZ 3.74Å; F290-F296 HydrophobicContact CZ-CZ 3.74Å; F290-R409 WeakPolarHBondContact CD2-O 3.44Å; F290-R409 PolarHBondContact N-O 2.93Å; F290-R409 WeakPolarHBondContact O-CG 3.49Å; F290-R409 PolarHBondContact O-NE 3.5Å; F290-V411 HydrophobicContact CD2-CG2 4.45Å; F290-V411 HydrophobicContact CE2-CB 3.96Å; F290-V411 HydrophobicContact CE2-CG2 3.69Å; F290-V411 HydrophobicContact CZ-CG2 4.31Å; F290-F429 HydrophobicContact CE1-CB 4.12Å; F290-F429 HydrophobicContact CE1-CD2 4.03Å; F290-F429 AromaticContact CE1-CG 3.97Å; F290-F429 HydrophobicContact CE1-CG 3.97Å; F290-F429 HydrophobicContact CZ-CB 4.35Å; F290-F429 AromaticContact CZ-CD1 3.91Å; F290-F429 HydrophobicContact CZ-CD1 3.91Å; F290-F429 AromaticContact CZ-CD2 3.77Å; F290-F429 HydrophobicContact CZ-CD2 3.77Å; F290-F429 HydrophobicContact CZ-CE1 4.11Å; F290-F429 AromaticContact CZ-CE2 3.99Å; F290-F429 HydrophobicContact CZ-CE2 3.99Å; F290-F429 AromaticContact CZ-CG 3.73Å; F290-F429 HydrophobicContact CZ-CG 3.73Å; F290-F429 HydrophobicContact CZ-CZ 4.15Å |
| 291 | D | 95.8 | Very high | 96 | Very high | 18 Ų | 18 | 39.5 Ų | 39.5 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.6 | -53.4 | 175.4 | 52.4 | 0.2 | 0 | 0 | 0 | 111.6 | L98 G195 I197 R294 R409 | L98-D291 HydrophobicContact CD1-CB 4.08Å; G195-D291 PolarHBondContact O-N 3.25Å; I197-D291 HydrophobicContact CG2-CB 3.79Å; D291-R294 IonicContact OD1-CZ 2.89Å; D291-R294 VanDerWaalsContact OD1-CZ 3.28Å; D291-R294 IonicContact OD1-NE 3.77Å; D291-R294 PolarHBondContact OD1-NE 2.72Å; D291-R294 IonicContact OD1-NH2 3.98Å; D291-R294 PolarHBondContact OD1-NH2 3.21Å; D291-R294 IonicContact OD2-CZ 3.25Å; D291-R294 IonicContact OD2-NE 3.05Å; D291-R294 IonicContact OD2-NH2 3.98Å; D291-R294 PolarHBondContact OD2-NH2 3.29Å; D291-R409 PolarHBondContact O-NE 3.37Å; D291-R409 PolarHBondContact O-NH2 3.43Å |
| 292 | E | 94.9 | Very high | 96.3 | Very high | 87 Ų | 87 | 32.7 Ų | 32.7 | 41% | 0.407 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 171.7 | -174.8 | -66.3 | -62.5 | 167.4 | 0 | 0 | 111.7 | F290 R294 I433 | F290-E292 VanDerWaalsContact C-N 3.33Å; F290-E292 PolarHBondContact O-N 3.04Å; E292-R294 PolarHBondContact O-N 2.86Å; E292-I433 HydrophobicContact CB-CG1 4.33Å; E292-I433 HydrophobicContact CB-CG2 3.91Å; E292-I433 HydrophobicContact CG-CD1 4.39Å; E292-I433 HydrophobicContact CG-CG2 4.22Å |
| 293 | V | 97.2 | Very high | 96.4 | Very high | 42 Ų | 42 | 26.1 Ų | 26.1 | 26% | 0.255 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 126.1 | 165.9 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | M323 R409 V434 | V293-M323 HydrophobicContact CB-CE 4.43Å; V293-M323 HydrophobicContact CG1-CE 3.77Å; V293-M323 HydrophobicContact CG1-SD 4.04Å; V293-M323 HydrophobicContact CG2-CE 3.7Å; V293-R409 HydrophobicContact CG2-CB 4.41Å; V293-V434 HydrophobicContact CB-CB 4.43Å; V293-V434 HydrophobicContact CG1-CB 4.23Å; V293-V434 HydrophobicContact CG1-CG2 4Å; V293-V434 WeakPolarHBondContact O-CB 3.28Å; V293-V434 PolarHBondContact O-N 2.8Å |
| 294 | R | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.1 | -172.4 | -79.3 | 165.6 | 174.4 | -97.8 | 4.1 | 112.6 | P193 G195 D291 E292 F296 R407 A408 S431 T432 I433 | P193-R294 PolarHBondContact O-NH1 2.89Å; G195-R294 VanDerWaalsContact CA-CZ 3.44Å; D291-R294 IonicContact OD1-CZ 2.89Å; D291-R294 VanDerWaalsContact OD1-CZ 3.28Å; D291-R294 IonicContact OD1-NE 3.77Å; D291-R294 PolarHBondContact OD1-NE 2.72Å; D291-R294 IonicContact OD1-NH2 3.98Å; D291-R294 PolarHBondContact OD1-NH2 3.21Å; D291-R294 IonicContact OD2-CZ 3.25Å; D291-R294 IonicContact OD2-NE 3.05Å; D291-R294 IonicContact OD2-NH2 3.98Å; D291-R294 PolarHBondContact OD2-NH2 3.29Å; E292-R294 PolarHBondContact O-N 2.86Å; R294-F296 HydrophobicContact CB-CD2 4.49Å; R294-F296 HydrophobicContact CB-CE2 3.79Å; R294-F296 HydrophobicContact CB-CZ 3.91Å; R294-F296 WeakPolarHBondContact O-CD2 3.24Å; R294-F296 WeakPolarHBondContact O-CE2 3.47Å; R294-R407 VanDerWaalsContact O-CA 3.25Å; R294-R407 WeakPolarHBondContact O-CA 3.34Å; R294-A408 PolarHBondContact N-O 3.03Å; R294-A408 PolarHBondContact O-N 3.19Å; R294-S431 WeakPolarHBondContact CD-OG 3.48Å; R294-S431 PolarHBondContact NH1-OG 3.43Å; R294-T432 CarbonylContact C-O 3.57Å; R294-T432 VanDerWaalsContact CA-O 3.3Å; R294-T432 WeakPolarHBondContact CA-O 3.48Å; R294-I433 HydrophobicContact CG-CG1 4.22Å |
| 295 | T | 97.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 12% | 0.117 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.1 | 172.4 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | S405 Y406 R407 S431 T432 V434 | T295-S405 WeakPolarHBondContact CG2-O 3.48Å; T295-Y406 CarbonylContact C-O 3.55Å; T295-Y406 WeakPolarHBondContact CA-O 3.47Å; T295-R407 HydrophobicContact CG2-CG 4.28Å; T295-R407 PolarHBondContact OG1-NE 2.95Å; T295-S431 CarbonylContact O-C 3.22Å; T295-S431 WeakPolarHBondContact O-CA 3.03Å; T295-S431 WeakPolarHBondContact O-CB 3.45Å; T295-T432 PolarHBondContact N-O 2.87Å; T295-T432 PolarHBondContact O-N 3.28Å; T295-V434 WeakPolarHBondContact OG1-CG2 3.13Å |
| 296 | F | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.9 | -168.4 | -72.2 | -88.9 | 0 | 0 | 0 | 112.7 | F290 R294 F321 L403 S405 Y406 A408 V411 F429 | F290-F296 HydrophobicContact CD1-CE1 4.2Å; F290-F296 HydrophobicContact CD1-CZ 4.02Å; F290-F296 HydrophobicContact CD2-CE1 4.42Å; F290-F296 AromaticContact CD2-CZ 3.81Å; F290-F296 HydrophobicContact CD2-CZ 3.81Å; F290-F296 AromaticContact CE1-CE1 3.65Å; F290-F296 HydrophobicContact CE1-CE1 3.65Å; F290-F296 AromaticContact CE1-CZ 3.89Å; F290-F296 HydrophobicContact CE1-CZ 3.89Å; F290-F296 AromaticContact CE2-CE1 3.92Å; F290-F296 HydrophobicContact CE2-CE1 3.92Å; F290-F296 AromaticContact CE2-CZ 3.69Å; F290-F296 HydrophobicContact CE2-CZ 3.69Å; F290-F296 AromaticContact CG-CZ 3.99Å; F290-F296 HydrophobicContact CG-CZ 3.99Å; F290-F296 AromaticContact CZ-CE1 3.5Å; F290-F296 HydrophobicContact CZ-CE1 3.5Å; F290-F296 AromaticContact CZ-CZ 3.74Å; F290-F296 HydrophobicContact CZ-CZ 3.74Å; R294-F296 HydrophobicContact CB-CD2 4.49Å; R294-F296 HydrophobicContact CB-CE2 3.79Å; R294-F296 HydrophobicContact CB-CZ 3.91Å; R294-F296 WeakPolarHBondContact O-CD2 3.24Å; R294-F296 WeakPolarHBondContact O-CE2 3.47Å; F296-F321 HydrophobicContact CB-CE1 3.94Å; F296-F321 HydrophobicContact CD2-CD1 4.26Å; F296-F321 HydrophobicContact CD2-CE1 4.08Å; F296-F321 HydrophobicContact CG-CE1 4Å; F296-L403 HydrophobicContact CB-CB 3.82Å; F296-L403 HydrophobicContact CB-CD1 3.85Å; F296-L403 HydrophobicContact CD1-CD1 4.19Å; F296-L403 HydrophobicContact CG-CD1 4.35Å; F296-L403 CarbonylContact O-C 3.57Å; F296-S405 WeakPolarHBondContact O-CA 3.2Å; F296-S405 PolarHBondContact O-N 2.69Å; F296-Y406 PolarHBondContact N-O 3.02Å; F296-A408 HydrophobicContact CD2-CB 4.34Å; F296-A408 HydrophobicContact CE2-CB 3.9Å; F296-V411 HydrophobicContact CD1-CG2 4.35Å; F296-V411 HydrophobicContact CD2-CG2 4.38Å; F296-V411 HydrophobicContact CE1-CG2 3.89Å; F296-V411 HydrophobicContact CE2-CG2 3.94Å; F296-V411 HydrophobicContact CZ-CG2 3.67Å; F296-F429 HydrophobicContact CD1-CB 4.41Å; F296-F429 HydrophobicContact CD1-CD1 4.01Å; F296-F429 HydrophobicContact CE1-CB 4.23Å; F296-F429 AromaticContact CE1-CD1 3.93Å; F296-F429 HydrophobicContact CE1-CD1 3.93Å; F296-F429 HydrophobicContact CE1-CG 4.31Å |
| 297 | I | 95.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 25.6 Ų | 25.6 | 20% | 0.195 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -54.3 | -176.8 | -49.9 | -175.2 | 0 | 0 | 0 | 110.1 | I359 L403 N430 T432 | I297-I359 HydrophobicContact CG2-CD1 3.97Å; I297-L403 PolarHBondContact O-N 2.93Å; I297-N430 HydrophobicContact CB-CB 4.46Å; I297-N430 PolarHBondContact N-O 3.41Å; I297-T432 HydrophobicContact CD1-CG2 4.43Å |
| 298 | W | 95 | Very high | 93.7 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 8% | 0.076 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 163.1 | 175.9 | 53.8 | -105.8 | 0 | 0 | 0 | 112.5 | R300 Q400 I401 Q428 N430 | W298-R300 HydrophobicContact CE3-CB 4.4Å; W298-R300 HydrophobicContact CE3-CG 3.71Å; W298-R300 HydrophobicContact CH2-CG 4.39Å; W298-R300 HydrophobicContact CZ3-CB 4.06Å; W298-R300 VanDerWaalsContact CZ3-CD 3.42Å; W298-R300 HydrophobicContact CZ3-CG 3.52Å; W298-Q400 HydrophobicContact CB-CG 4.5Å; W298-I401 CarbonylContact C-O 3.58Å; W298-I401 VanDerWaalsContact CA-O 3.29Å; W298-I401 WeakPolarHBondContact CA-O 3.4Å; W298-I401 WeakPolarHBondContact CB-O 3.47Å; W298-Q428 HydrophobicContact CH2-CG 4.16Å; W298-Q428 VanDerWaalsContact CH2-OE1 3.31Å; W298-Q428 HydrophobicContact CZ3-CG 3.8Å; W298-N430 HydrophobicContact CD2-CB 3.47Å; W298-N430 VanDerWaalsContact CD2-CB 3.47Å; W298-N430 HydrophobicContact CE3-CB 3.85Å; W298-N430 HydrophobicContact CG-CB 4Å; W298-N430 HydrophobicContact CH2-CB 3.88Å; W298-N430 HydrophobicContact CZ2-CB 3.54Å; W298-N430 WeakPolarHBondContact CZ2-ND2 3.22Å; W298-N430 HydrophobicContact CZ3-CB 4.03Å; W298-N430 PolarHBondContact N-O 2.86Å; W298-N430 PolarHBondContact NE1-ND2 3.31Å; W298-N430 PolarHBondContact O-N 3.12Å |
| 299 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.3 | 173.8 | 162.4 | 62.7 | 0 | 0 | 0 | 108.8 | I301 V319 Q400 I401 L403 L413 V427 Q428 F429 | L299-I301 HydrophobicContact CD1-CG1 4.09Å; L299-I301 HydrophobicContact CD2-CD1 4.19Å; L299-I301 HydrophobicContact CD2-CG1 4.34Å; L299-I301 HydrophobicContact CG-CD1 4.37Å; L299-I301 HydrophobicContact CG-CG1 4.03Å; L299-V319 HydrophobicContact CD2-CG1 4.45Å; L299-V319 HydrophobicContact CD2-CG2 3.95Å; L299-Q400 CarbonylContact O-C 3.51Å; L299-Q400 WeakPolarHBondContact O-CA 3.24Å; L299-I401 HydrophobicContact CB-CB 4.47Å; L299-I401 HydrophobicContact CD2-CD1 4.23Å; L299-I401 PolarHBondContact N-O 3.1Å; L299-I401 PolarHBondContact O-N 2.82Å; L299-L403 HydrophobicContact CB-CD1 3.75Å; L299-L403 HydrophobicContact CB-CD2 4.14Å; L299-L403 HydrophobicContact CB-CG 4.04Å; L299-L413 HydrophobicContact CD2-CD1 3.93Å; L299-L413 HydrophobicContact CD2-CD2 4.37Å; L299-V427 HydrophobicContact CD1-CG1 3.44Å; L299-V427 VanDerWaalsContact CD1-CG1 3.44Å; L299-Q428 CarbonylContact C-O 3.51Å; L299-Q428 VanDerWaalsContact CA-O 3.32Å; L299-Q428 WeakPolarHBondContact CA-O 3.32Å; L299-Q428 WeakPolarHBondContact CD1-O 3.35Å; L299-F429 HydrophobicContact CB-CD1 4.45Å; L299-F429 HydrophobicContact CD1-CD1 4.06Å; L299-F429 HydrophobicContact CD1-CE1 3.72Å; L299-F429 HydrophobicContact CD1-CE2 4.28Å; L299-F429 HydrophobicContact CD1-CG 4.48Å; L299-F429 HydrophobicContact CD1-CZ 3.83Å; L299-F429 HydrophobicContact CD2-CE1 4.31Å; L299-F429 HydrophobicContact CG-CE1 4.41Å |
| 300 | R | 95.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.7 | 169.3 | -76.1 | 175.6 | -179.1 | 154.7 | -1.7 | 110.5 | W298 F302 V398 V399 Q400 V427 Q428 | W298-R300 HydrophobicContact CE3-CB 4.4Å; W298-R300 HydrophobicContact CE3-CG 3.71Å; W298-R300 HydrophobicContact CH2-CG 4.39Å; W298-R300 HydrophobicContact CZ3-CB 4.06Å; W298-R300 VanDerWaalsContact CZ3-CD 3.42Å; W298-R300 HydrophobicContact CZ3-CG 3.52Å; R300-F302 HydrophobicContact CB-CE2 3.94Å; R300-V398 HydrophobicContact CB-CG1 4.28Å; R300-V398 HydrophobicContact CG-CG1 4.36Å; R300-V399 CarbonylContact C-O 3.57Å; R300-V399 VanDerWaalsContact CA-O 3.3Å; R300-V399 WeakPolarHBondContact CA-O 3.27Å; R300-Q400 HydrophobicContact CG-CB 4.06Å; R300-Q400 HydrophobicContact CG-CG 3.98Å; R300-Q400 VanDerWaalsContact CZ-OE1 3.26Å; R300-V427 WeakPolarHBondContact O-CA 3.36Å; R300-Q428 PolarHBondContact N-O 2.8Å; R300-Q428 PolarHBondContact O-N 3.25Å |
| 301 | I | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.8 | -179.8 | -55.9 | 169.3 | 0 | 0 | 0 | 108.1 | L299 F314 V398 V399 I401 L413 L415 L424 | L299-I301 HydrophobicContact CD1-CG1 4.09Å; L299-I301 HydrophobicContact CD2-CD1 4.19Å; L299-I301 HydrophobicContact CD2-CG1 4.34Å; L299-I301 HydrophobicContact CG-CD1 4.37Å; L299-I301 HydrophobicContact CG-CG1 4.03Å; I301-F314 HydrophobicContact CB-CE1 4.48Å; I301-F314 HydrophobicContact CD1-CE1 4.2Å; I301-F314 HydrophobicContact CD1-CZ 3.86Å; I301-F314 HydrophobicContact CG2-CE1 4Å; I301-V398 WeakPolarHBondContact O-CA 3.23Å; I301-V399 HydrophobicContact CB-CB 4.48Å; I301-V399 PolarHBondContact N-O 2.88Å; I301-V399 PolarHBondContact O-N 2.93Å; I301-I401 HydrophobicContact CD1-CD1 3.82Å; I301-L413 HydrophobicContact CD1-CD1 4.07Å; I301-L413 HydrophobicContact CD1-CD2 3.9Å; I301-L413 HydrophobicContact CG1-CD2 4.3Å; I301-L415 HydrophobicContact CD1-CD2 4.1Å; I301-L424 HydrophobicContact CG2-CD2 3.39Å |
| 302 | F | 93.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.2 | 178.7 | -69.3 | -110 | 0 | 0 | 0 | 107.8 | A254 L256 R300 V398 L424 S425 E426 | A254-F302 HydrophobicContact CB-CD1 3.48Å; A254-F302 VanDerWaalsContact CB-CD1 3.48Å; A254-F302 HydrophobicContact CB-CE1 3.52Å; A254-F302 HydrophobicContact CB-CG 4.06Å; A254-F302 HydrophobicContact CB-CZ 4.17Å; L256-F302 HydrophobicContact CD2-CD1 3.92Å; L256-F302 HydrophobicContact CD2-CE1 4.31Å; R300-F302 HydrophobicContact CB-CE2 3.94Å; F302-V398 HydrophobicContact CD1-CG1 4.4Å; F302-V398 HydrophobicContact CD1-CG2 3.58Å; F302-V398 HydrophobicContact CD2-CG1 4.21Å; F302-V398 HydrophobicContact CE1-CB 4.32Å; F302-V398 HydrophobicContact CE1-CG1 3.98Å; F302-V398 HydrophobicContact CE1-CG2 3.36Å; F302-V398 HydrophobicContact CE2-CG1 3.67Å; F302-V398 HydrophobicContact CG-CG2 4.29Å; F302-V398 HydrophobicContact CZ-CB 4.39Å; F302-V398 HydrophobicContact CZ-CG1 3.56Å; F302-V398 HydrophobicContact CZ-CG2 3.87Å; F302-L424 CarbonylContact O-C 3.54Å; F302-L424 VanDerWaalsContact O-CA 3.24Å; F302-L424 WeakPolarHBondContact O-CA 3.22Å; F302-S425 WeakPolarHBondContact CB-OG 3.37Å; F302-S425 PolarHBondContact O-N 3.16Å; F302-E426 HydrophobicContact CB-CB 4.23Å; F302-E426 WeakPolarHBondContact CB-O 3.47Å; F302-E426 HydrophobicContact CD2-CB 4.3Å; F302-E426 HydrophobicContact CD2-CG 4.18Å; F302-E426 HydrophobicContact CG-CB 4.29Å; F302-E426 PolarHBondContact N-O 3.47Å |
| 303 | T | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 174 | -169.7 | -169 | 0 | 0 | 0 | 0 | 111 | V313 F314 A396 L397 V399 L423 | T303-V313 HydrophobicContact CG2-CG2 4.3Å; T303-F314 HydrophobicContact CG2-CE1 4.42Å; T303-A396 WeakPolarHBondContact O-CA 3.5Å; T303-L397 HydrophobicContact CG2-CB 4.07Å; T303-L397 PolarHBondContact N-O 2.91Å; T303-L397 PolarHBondContact O-N 3.09Å; T303-V399 HydrophobicContact CG2-CG2 4.1Å; T303-L423 VanDerWaalsContact CA-O 3.28Å; T303-L423 WeakPolarHBondContact CA-O 3.45Å; T303-L423 WeakPolarHBondContact CB-O 3.34Å; T303-L423 PolarHBondContact OG1-O 3.32Å |
| 304 | F | 90.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.2 | -169.9 | -155.8 | -102.3 | 0 | 0 | 0 | 112.3 | G257 V259 F274 L309 S311 D394 A396 L423 | G257-F304 VanDerWaalsContact O-CE2 3.3Å; G257-F304 WeakPolarHBondContact O-CE2 3.11Å; V259-F304 HydrophobicContact CB-CD1 4.22Å; V259-F304 HydrophobicContact CB-CE1 3.89Å; V259-F304 HydrophobicContact CB-CZ 4.21Å; V259-F304 HydrophobicContact CG2-CB 4.26Å; V259-F304 HydrophobicContact CG2-CD1 3.36Å; V259-F304 HydrophobicContact CG2-CD2 3.79Å; V259-F304 HydrophobicContact CG2-CE1 3.44Å; V259-F304 VanDerWaalsContact CG2-CE1 3.44Å; V259-F304 HydrophobicContact CG2-CE2 3.91Å; V259-F304 HydrophobicContact CG2-CG 3.54Å; V259-F304 HydrophobicContact CG2-CZ 3.75Å; F274-F304 HydrophobicContact CE1-CB 4.09Å; F274-F304 HydrophobicContact CE1-CD2 4.14Å; F274-F304 HydrophobicContact CE1-CG 4.34Å; F274-F304 HydrophobicContact CZ-CD2 4.01Å; F304-L309 HydrophobicContact CD1-CD1 4.45Å; F304-L309 HydrophobicContact CE1-CD1 4.41Å; F304-S311 WeakPolarHBondContact O-CB 3.32Å; F304-S311 PolarHBondContact O-OG 3.4Å; F304-D394 WeakPolarHBondContact CZ-O 3.3Å; F304-A396 HydrophobicContact CD2-CB 3.75Å; F304-A396 HydrophobicContact CE2-CB 3.99Å; F304-A396 VanDerWaalsContact CE2-N 3.35Å; F304-L423 HydrophobicContact CB-CB 4.1Å; F304-L423 HydrophobicContact CB-CD1 4.29Å; F304-L423 HydrophobicContact CD1-CD1 4.37Å |
| 305 | D | 89.8 | Confident | 91.4 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | trans | -98.6 | 117.2 | 171.2 | -173.9 | -7.8 | 0 | 0 | 0 | 109.7 | R312 G395 L397 | D305-R312 WeakPolarHBondContact OD1-CD 3.16Å; D305-R312 IonicContact OD1-CZ 3.21Å; D305-R312 IonicContact OD1-NE 2.71Å; D305-R312 IonicContact OD1-NH1 2.75Å; D305-R312 PolarHBondContact OD1-NH1 2.93Å; D305-R312 IonicContact OD2-NH1 2.79Å; D305-R312 PolarHBondContact OD2-NH1 3.18Å; D305-G395 PolarHBondContact N-O 2.89Å; D305-G395 WeakPolarHBondContact O-CA 3.32Å; D305-L397 HydrophobicContact CB-CD1 3.85Å | ||
| 306 | S | 85.4 | Confident | 91.3 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -153.2 | 106.9 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | P308 L309 K310 S311 | S306-P308 WeakPolarHBondContact OG-CD 3.45Å; S306-L309 PolarHBondContact O-N 3.31Å; S306-L309 VanDerWaalsContact O-N 3.16Å; S306-K310 PolarHBondContact O-N 3.01Å; S306-S311 CarbonylContact C-O 3.47Å; S306-S311 PolarHBondContact N-O 3.16Å; S306-S311 PolarHBondContact O-N 3.2Å; S306-S311 VanDerWaalsContact O-N 3.13Å |
| 307 | V | 83.6 | Confident | 91.3 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 58% | 0.576 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -56.8 | -42.8 | 176.5 | -156.1 | 0 | 0 | 0 | 0 | 112.8 | L309 K310 | V307-L309 VanDerWaalsContact C-N 3.29Å; V307-L309 PolarHBondContact O-N 2.94Å; V307-K310 PolarHBondContact O-N 3.36Å; V307-K310 VanDerWaalsContact O-N 3.17Å |
| 308 | P | 80.4 | Confident | 91.4 | Very high | 76 Ų | 76 | 32.6 Ų | 32.6 | 49% | 0.494 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -63.5 | -29.4 | 176.7 | -24.6 | 35.8 | 0 | 0 | 0 | 114.7 | S306 | S306-P308 WeakPolarHBondContact OG-CD 3.45Š|
| 309 | L | 79.2 | Confident | 91.6 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -88.9 | -11.2 | 176.7 | -69.7 | 166.7 | 0 | 0 | 0 | 112.8 | I207 Y209 V259 F304 S306 V307 S311 L423 | I207-L309 HydrophobicContact CD1-CD2 3.86Å; Y209-L309 WeakPolarHBondContact OH-CD2 3.46Å; V259-L309 HydrophobicContact CB-CD1 3.86Å; V259-L309 HydrophobicContact CG1-CD1 3.62Å; V259-L309 HydrophobicContact CG2-CD1 4.38Å; F304-L309 HydrophobicContact CD1-CD1 4.45Å; F304-L309 HydrophobicContact CE1-CD1 4.41Å; S306-L309 PolarHBondContact O-N 3.31Å; S306-L309 VanDerWaalsContact O-N 3.16Å; V307-L309 VanDerWaalsContact C-N 3.29Å; V307-L309 PolarHBondContact O-N 2.94Å; L309-S311 PolarHBondContact O-N 3.17Å; L309-L423 HydrophobicContact CD1-CD1 3.94Å |
| 310 | K | 88.1 | Confident | 91.7 | Very high | 113 Ų | 113 | 34 Ų | 34 | 49% | 0.491 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 30.9 | -164.8 | -60.3 | -168.3 | 173.5 | -161 | 0 | 113.5 | S306 V307 S420 W421 | S306-K310 PolarHBondContact O-N 3.01Å; V307-K310 PolarHBondContact O-N 3.36Å; V307-K310 VanDerWaalsContact O-N 3.17Å; K310-S420 WeakPolarHBondContact CD-OG 3.32Å; K310-S420 PolarHBondContact O-N 3.09Å; K310-W421 PolarHBondContact O-N 3.29Å |
| 311 | S | 89.3 | Confident | 91.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 133.2 | 168 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | F304 S306 L309 W421 L423 | F304-S311 WeakPolarHBondContact O-CB 3.32Å; F304-S311 PolarHBondContact O-OG 3.4Å; S306-S311 CarbonylContact C-O 3.47Å; S306-S311 PolarHBondContact N-O 3.16Å; S306-S311 PolarHBondContact O-N 3.2Å; S306-S311 VanDerWaalsContact O-N 3.13Å; L309-S311 PolarHBondContact O-N 3.17Å; S311-W421 WeakPolarHBondContact CA-O 3.09Å; S311-L423 WeakPolarHBondContact OG-CG 3.47Å |
| 312 | R | 92 | Very high | 91.9 | Very high | 85 Ų | 85 | 32 Ų | 32 | 32% | 0.321 | 17% | 0.168 | S | C | . | . | trans | -134.7 | 157.6 | 174.3 | -68 | -56.9 | -163.3 | 165.8 | 6.7 | 107.8 | D305 F314 A418 D419 | D305-R312 WeakPolarHBondContact OD1-CD 3.16Å; D305-R312 IonicContact OD1-CZ 3.21Å; D305-R312 IonicContact OD1-NE 2.71Å; D305-R312 IonicContact OD1-NH1 2.75Å; D305-R312 PolarHBondContact OD1-NH1 2.93Å; D305-R312 IonicContact OD2-NH1 2.79Å; D305-R312 PolarHBondContact OD2-NH1 3.18Å; R312-F314 PolarHBondContact O-N 2.78Å; R312-A418 HydrophobicContact CB-CB 4.02Å; R312-D419 HydrophobicContact CB-CB 4.25Å; R312-D419 HydrophobicContact CG-CB 3.69Å | ||
| 313 | V | 92.7 | Very high | 92.1 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | trans | -54 | 133.8 | 166.1 | 66.9 | 0 | 0 | 0 | 0 | 108.9 | T303 T336 I387 L397 V399 A418 | T303-V313 HydrophobicContact CG2-CG2 4.3Å; V313-T336 HydrophobicContact CG2-CG2 4.21Å; V313-I387 HydrophobicContact CG2-CD1 4.42Å; V313-L397 HydrophobicContact CB-CD1 4.07Å; V313-V399 HydrophobicContact CG2-CG2 3.94Å; V313-A418 WeakPolarHBondContact O-CB 3.47Å | ||
| 314 | F | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -53.6 | 142.9 | 179.7 | 47.2 | -95.8 | 0 | 0 | 0 | 110.7 | I301 T303 R312 A317 T336 V399 L415 T416 | I301-F314 HydrophobicContact CB-CE1 4.48Å; I301-F314 HydrophobicContact CD1-CE1 4.2Å; I301-F314 HydrophobicContact CD1-CZ 3.86Å; I301-F314 HydrophobicContact CG2-CE1 4Å; T303-F314 HydrophobicContact CG2-CE1 4.42Å; R312-F314 PolarHBondContact O-N 2.78Å; F314-A317 HydrophobicContact CD2-CB 3.96Å; F314-A317 HydrophobicContact CE2-CB 3.62Å; F314-A317 HydrophobicContact CZ-CB 4.42Å; F314-T336 HydrophobicContact CD2-CG2 3.64Å; F314-T336 HydrophobicContact CE2-CG2 3.5Å; F314-T336 VanDerWaalsContact CE2-CG2 3.5Å; F314-T336 HydrophobicContact CZ-CG2 4.44Å; F314-T336 WeakPolarHBondContact O-CB 3.49Å; F314-T336 WeakPolarHBondContact O-CG2 3.47Å; F314-T336 PolarHBondContact O-OG1 2.86Å; F314-V399 HydrophobicContact CE1-CG2 4.11Å; F314-V399 HydrophobicContact CE2-CG1 4.39Å; F314-V399 HydrophobicContact CZ-CB 3.95Å; F314-V399 HydrophobicContact CZ-CG1 3.92Å; F314-V399 HydrophobicContact CZ-CG2 3.78Å; F314-L415 HydrophobicContact CB-CB 4.23Å; F314-L415 HydrophobicContact CD1-CD1 4.05Å; F314-L415 HydrophobicContact CD1-CD2 4.03Å; F314-L415 HydrophobicContact CD1-CG 4.45Å; F314-L415 HydrophobicContact CD2-CD2 4.07Å; F314-L415 HydrophobicContact CE1-CD1 4.33Å; F314-L415 HydrophobicContact CE1-CD2 4.08Å; F314-L415 HydrophobicContact CE2-CD2 4.13Å; F314-L415 HydrophobicContact CG-CB 4.35Å; F314-L415 HydrophobicContact CG-CD2 4.02Å; F314-L415 HydrophobicContact CZ-CD2 4.13Å; F314-T416 CarbonylContact C-O 3.54Å; F314-T416 WeakPolarHBondContact CA-O 3.45Å; F314-T416 VanDerWaalsContact CB-O 3.26Å; F314-T416 WeakPolarHBondContact CB-O 3.39Å | ||
| 315 | S | 95 | Very high | 92.4 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -71 | -36.4 | -176.6 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | S335 T336 T416 S417 | S315-S335 WeakPolarHBondContact O-CA 3.37Å; S315-S335 PolarHBondContact O-OG 2.88Å; S315-T336 PolarHBondContact O-N 2.99Å; S315-T336 PolarHBondContact O-OG1 3.1Å; S315-T416 PolarHBondContact N-O 2.92Å; S315-T416 PolarHBondContact OG-O 2.76Å; S315-T416 VanDerWaalsContact OG-O 3.11Å; S315-S417 PolarHBondContact OG-O 3.34Å; S315-S417 VanDerWaalsContact OG-O 3.06Å |
| 316 | Q | 95.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.5 | -179.2 | 161.2 | 174 | 82.7 | 0 | 0 | 110.3 | I318 E333 I334 T416 | Q316-I318 HydrophobicContact CG-CG1 4.08Å; Q316-E333 PolarHBondContact NE2-OE1 3.37Å; Q316-I334 VanDerWaalsContact CA-O 3.27Å; Q316-I334 WeakPolarHBondContact CA-O 3.16Å; Q316-I334 WeakPolarHBondContact CG-O 3.33Å; Q316-T416 PolarHBondContact O-N 3.27Å |
| 317 | A | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F314 I334 I401 T414 L415 | F314-A317 HydrophobicContact CD2-CB 3.96Å; F314-A317 HydrophobicContact CE2-CB 3.62Å; F314-A317 HydrophobicContact CZ-CB 4.42Å; A317-I334 HydrophobicContact CB-CD1 4.13Å; A317-I334 HydrophobicContact CB-CG1 3.83Å; A317-I334 PolarHBondContact N-O 2.96Å; A317-I334 WeakPolarHBondContact O-CG1 3.37Å; A317-I334 PolarHBondContact O-N 2.83Å; A317-I401 HydrophobicContact CB-CD1 4.09Å; A317-T414 CarbonylContact C-O 3.56Å; A317-T414 VanDerWaalsContact CA-O 3.31Å; A317-T414 WeakPolarHBondContact CA-O 3.29Å; A317-L415 HydrophobicContact CB-CD2 3.53Å |
| 318 | I | 97.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 20% | 0.195 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.2 | 173.2 | -49 | 178.1 | 0 | 0 | 0 | 107.1 | Q316 E320 I332 E333 T414 | Q316-I318 HydrophobicContact CG-CG1 4.08Å; I318-E320 HydrophobicContact CG2-CG 3.9Å; I318-I332 WeakPolarHBondContact CA-O 3.36Å; I318-E333 HydrophobicContact CG1-CG 4.26Å; I318-T414 PolarHBondContact N-O 2.97Å; I318-T414 PolarHBondContact O-N 3.31Å |
| 319 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 112.8 | 177 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | L299 F321 S331 I332 I401 L403 V411 S412 L413 | L299-V319 HydrophobicContact CD2-CG1 4.45Å; L299-V319 HydrophobicContact CD2-CG2 3.95Å; V319-F321 HydrophobicContact CB-CE2 4.24Å; V319-F321 HydrophobicContact CB-CZ 4.47Å; V319-F321 HydrophobicContact CG1-CE1 4.47Å; V319-F321 HydrophobicContact CG1-CE2 3.86Å; V319-F321 HydrophobicContact CG1-CZ 3.71Å; V319-F321 WeakPolarHBondContact O-CE2 3.33Å; V319-S331 CarbonylContact O-C 3.59Å; V319-S331 VanDerWaalsContact O-CA 3.25Å; V319-S331 WeakPolarHBondContact O-CA 3.15Å; V319-I332 PolarHBondContact N-O 2.77Å; V319-I332 PolarHBondContact O-N 3.34Å; V319-I401 HydrophobicContact CG2-CD1 4.35Å; V319-L403 HydrophobicContact CB-CD2 4.18Å; V319-L403 HydrophobicContact CG1-CD1 4.39Å; V319-L403 HydrophobicContact CG1-CD2 3.91Å; V319-L403 HydrophobicContact CG2-CD2 4.11Å; V319-V411 HydrophobicContact CG1-CG1 3.51Å; V319-S412 CarbonylContact C-O 3.58Å; V319-S412 WeakPolarHBondContact CA-O 3.32Å; V319-L413 HydrophobicContact CG2-CD1 4Å |
| 320 | E | 98 | Very high | 94.8 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.4 | -175.6 | -35 | 161.3 | 95.5 | 0 | 0 | 110.8 | R285 I318 F328 K330 V411 S412 | R285-E320 IonicContact NE-OE2 3.58Å; R285-E320 IonicContact NH2-OE2 3.41Å; I318-E320 HydrophobicContact CG2-CG 3.9Å; E320-F328 HydrophobicContact CB-CB 4.05Å; E320-F328 HydrophobicContact CB-CD1 3.68Å; E320-F328 HydrophobicContact CB-CG 4.2Å; E320-K330 CarbonylContact C-O 3.57Å; E320-K330 WeakPolarHBondContact CA-O 3.43Å; E320-V411 CarbonylContact O-C 3.59Å; E320-V411 WeakPolarHBondContact O-CA 3.43Å; E320-S412 PolarHBondContact N-O 3.35Å; E320-S412 PolarHBondContact O-N 2.94Å; E320-S412 WeakPolarHBondContact OE2-CB 3.46Å; E320-S412 PolarHBondContact OE2-OG 2.69Å |
| 321 | F | 98.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.4 | -167.9 | -64.9 | -92.3 | 0 | 0 | 0 | 111.5 | F296 V319 K330 I332 L403 Y406 A408 V411 | F296-F321 HydrophobicContact CB-CE1 3.94Å; F296-F321 HydrophobicContact CD2-CD1 4.26Å; F296-F321 HydrophobicContact CD2-CE1 4.08Å; F296-F321 HydrophobicContact CG-CE1 4Å; V319-F321 HydrophobicContact CB-CE2 4.24Å; V319-F321 HydrophobicContact CB-CZ 4.47Å; V319-F321 HydrophobicContact CG1-CE1 4.47Å; V319-F321 HydrophobicContact CG1-CE2 3.86Å; V319-F321 HydrophobicContact CG1-CZ 3.71Å; V319-F321 WeakPolarHBondContact O-CE2 3.33Å; F321-K330 HydrophobicContact CB-CB 4.32Å; F321-K330 PolarHBondContact N-O 2.98Å; F321-I332 HydrophobicContact CE2-CD1 3.97Å; F321-I332 HydrophobicContact CE2-CG1 4.12Å; F321-I332 HydrophobicContact CZ-CD1 4.25Å; F321-L403 HydrophobicContact CE1-CB 4.48Å; F321-L403 HydrophobicContact CE1-CD1 4.22Å; F321-L403 HydrophobicContact CZ-CB 3.98Å; F321-L403 HydrophobicContact CZ-CD1 4Å; F321-L403 HydrophobicContact CZ-CD2 4.09Å; F321-L403 HydrophobicContact CZ-CG 4.23Å; F321-Y406 AromaticContact CD2-CD2 3.67Å; F321-Y406 HydrophobicContact CD2-CD2 3.67Å; F321-Y406 HydrophobicContact CD2-CE2 4.49Å; F321-Y406 HydrophobicContact CD2-CG 4.47Å; F321-Y406 AromaticContact CE2-CD2 3.68Å; F321-Y406 HydrophobicContact CE2-CD2 3.68Å; F321-Y406 HydrophobicContact CE2-CE2 4.48Å; F321-Y406 HydrophobicContact CG-CD2 4.24Å; F321-Y406 HydrophobicContact CZ-CD2 4.22Å; F321-A408 HydrophobicContact CB-CB 4.06Å; F321-A408 HydrophobicContact CD1-CB 3.97Å; F321-V411 HydrophobicContact CD1-CG2 4.08Å; F321-V411 HydrophobicContact CE1-CG2 4.17Å |
| 322 | S | 97.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.2 | -177.1 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | D324 G325 N327 A408 R409 Y410 | S322-D324 PolarHBondContact OG-N 2.93Å; S322-D324 PolarHBondContact OG-OD1 3.24Å; S322-G325 PolarHBondContact OG-N 2.93Å; S322-N327 WeakPolarHBondContact CB-O 3.25Å; S322-N327 PolarHBondContact OG-O 3.26Å; S322-A408 WeakPolarHBondContact O-CB 3.33Å; S322-R409 PolarHBondContact O-N 3.14Å; S322-Y410 PolarHBondContact N-O 3Å; S322-Y410 PolarHBondContact O-N 3.48Å |
| 323 | M | 96.8 | Very high | 95.6 | Very high | 109 Ų | 109 | 56.7 Ų | 56.7 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -93.2 | -26.8 | 173.7 | -66.4 | -63.7 | -64.5 | 0 | 0 | 112.8 | V293 | V293-M323 HydrophobicContact CB-CE 4.43Å; V293-M323 HydrophobicContact CG1-CE 3.77Å; V293-M323 HydrophobicContact CG1-SD 4.04Å; V293-M323 HydrophobicContact CG2-CE 3.7Å |
| 324 | D | 95.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 56.4 Ų | 56.4 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -118.3 | -6 | -172 | 69.2 | -8.5 | 0 | 0 | 0 | 114.2 | S322 K326 N327 | S322-D324 PolarHBondContact OG-N 2.93Å; S322-D324 PolarHBondContact OG-OD1 3.24Å; D324-K326 VanDerWaalsContact C-N 3.28Å; D324-K326 PolarHBondContact OD1-N 3.5Å; D324-N327 PolarHBondContact OD1-N 3.18Å; D324-N327 PolarHBondContact OD2-ND2 3Å |
| 325 | G | 94.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 78.9 | 6.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S322 F328 Y410 | S322-G325 PolarHBondContact OG-N 2.93Å; G325-F328 WeakPolarHBondContact O-CE2 3.19Å; G325-Y410 VanDerWaalsContact CA-CG 3.47Å; G325-Y410 VanDerWaalsContact N-CD2 3.26Å |
| 326 | K | 94.6 | Very high | 95.4 | Very high | 170 Ų | 170 | 57.3 Ų | 57.3 | 74% | 0.739 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -122.1 | -47.7 | -175.6 | -59.1 | 177.5 | -177.5 | 177.8 | 0 | 112.1 | D324 F328 | D324-K326 VanDerWaalsContact C-N 3.28Å; D324-K326 PolarHBondContact OD1-N 3.5Å; K326-F328 WeakPolarHBondContact O-CD2 3.26Å |
| 327 | N | 95.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 60.3 Ų | 60.3 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | trans | -100.6 | 122.9 | -178.1 | -62.2 | -71.3 | 0 | 0 | 0 | 109.5 | S322 D324 | S322-N327 WeakPolarHBondContact CB-O 3.25Å; S322-N327 PolarHBondContact OG-O 3.26Å; D324-N327 PolarHBondContact OD1-N 3.18Å; D324-N327 PolarHBondContact OD2-ND2 3Å | ||
| 328 | F | 95.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 67.5 Ų | 67.5 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | trans | -118.5 | 70.4 | -171.7 | -72.1 | -90.1 | 0 | 0 | 0 | 110.4 | L287 E320 G325 K326 K330 | L287-F328 HydrophobicContact CD1-CE1 4.22Å; L287-F328 HydrophobicContact CD1-CZ 3.79Å; E320-F328 HydrophobicContact CB-CB 4.05Å; E320-F328 HydrophobicContact CB-CD1 3.68Å; E320-F328 HydrophobicContact CB-CG 4.2Å; G325-F328 WeakPolarHBondContact O-CE2 3.19Å; K326-F328 WeakPolarHBondContact O-CD2 3.26Å; F328-K330 PolarHBondContact O-N 3.24Å; F328-K330 VanDerWaalsContact O-N 3.16Å | ||
| 329 | D | 89.3 | Confident | 94.5 | Very high | 143 Ų | 143 | 66.6 Ų | 66.6 | 77% | 0.765 | 34% | 0.344 | S | S | * | . | trans | -73.2 | -6.9 | -168 | -50 | -28.9 | 0 | 0 | 0 | 114.5 | ||||
| 330 | K | 93.9 | Very high | 94.1 | Very high | 104 Ų | 104 | 73.6 Ų | 73.6 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136.9 | -178 | -63.5 | 178.9 | -176 | 175.3 | 0 | 110.3 | E320 F321 F328 Y406 | E320-K330 CarbonylContact C-O 3.57Å; E320-K330 WeakPolarHBondContact CA-O 3.43Å; F321-K330 HydrophobicContact CB-CB 4.32Å; F321-K330 PolarHBondContact N-O 2.98Å; F328-K330 PolarHBondContact O-N 3.24Å; F328-K330 VanDerWaalsContact O-N 3.16Å; K330-Y406 HydrophobicContact CB-CD2 4.32Å; K330-Y406 HydrophobicContact CB-CE2 4.21Å; K330-Y406 HydrophobicContact CD-CD1 3.98Å; K330-Y406 HydrophobicContact CD-CE1 4.07Å; K330-Y406 HydrophobicContact CD-CG 4.22Å |
| 331 | S | 95.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 76.5 Ų | 76.5 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162 | 175.3 | 59.6 | 0 | 0 | 0 | 0 | 112 | V319 | V319-S331 CarbonylContact O-C 3.59Å; V319-S331 VanDerWaalsContact O-CA 3.25Å; V319-S331 WeakPolarHBondContact O-CA 3.15Å |
| 332 | I | 95.6 | Very high | 93.3 | Very high | 26 Ų | 26 | 77.6 Ų | 77.6 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 116.7 | 167.2 | -61.2 | 174.5 | 0 | 0 | 0 | 106.1 | I318 V319 F321 I334 L403 A404 Y406 | I318-I332 WeakPolarHBondContact CA-O 3.36Å; V319-I332 PolarHBondContact N-O 2.77Å; V319-I332 PolarHBondContact O-N 3.34Å; F321-I332 HydrophobicContact CE2-CD1 3.97Å; F321-I332 HydrophobicContact CE2-CG1 4.12Å; F321-I332 HydrophobicContact CZ-CD1 4.25Å; I332-I334 HydrophobicContact CG2-CG2 4.24Å; I332-L403 HydrophobicContact CD1-CB 4.44Å; I332-L403 HydrophobicContact CD1-CD2 4.25Å; I332-A404 HydrophobicContact CD1-CB 3.94Å; I332-Y406 HydrophobicContact CD1-CD2 3.96Å; I332-Y406 HydrophobicContact CD1-CE2 3.93Å; I332-Y406 HydrophobicContact CG1-CD2 4.16Å; I332-Y406 HydrophobicContact CG1-CE2 3.73Å |
| 333 | E | 95 | Very high | 92.7 | Very high | 130 Ų | 130 | 78.6 Ų | 78.6 | 61% | 0.607 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.8 | 179.2 | 179.7 | 175.4 | 168.9 | 0 | 0 | 109.2 | Q316 I318 | Q316-E333 PolarHBondContact NE2-OE1 3.37Å; I318-E333 HydrophobicContact CG1-CG 4.26Å |
| 334 | I | 94 | Very high | 91.9 | Very high | 21 Ų | 21 | 74.1 Ų | 74.1 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.5 | 176.7 | 63.5 | 145.5 | 0 | 0 | 0 | 111 | Q316 A317 I332 T385 I401 | Q316-I334 VanDerWaalsContact CA-O 3.27Å; Q316-I334 WeakPolarHBondContact CA-O 3.16Å; Q316-I334 WeakPolarHBondContact CG-O 3.33Å; A317-I334 HydrophobicContact CB-CD1 4.13Å; A317-I334 HydrophobicContact CB-CG1 3.83Å; A317-I334 PolarHBondContact N-O 2.96Å; A317-I334 WeakPolarHBondContact O-CG1 3.37Å; A317-I334 PolarHBondContact O-N 2.83Å; I332-I334 HydrophobicContact CG2-CG2 4.24Å; I334-T385 HydrophobicContact CD1-CG2 3.64Å; I334-I401 HydrophobicContact CD1-CD1 3.57Å; I334-I401 HydrophobicContact CD1-CG1 3.71Å; I334-I401 HydrophobicContact CD1-CG2 4.22Å; I334-I401 HydrophobicContact CG1-CD1 4.2Å; I334-I401 HydrophobicContact CG1-CG2 4.45Å; I334-I401 HydrophobicContact CG2-CG2 4.17Å |
| 335 | S | 94.1 | Very high | 91 | Very high | 44 Ų | 44 | 75.9 Ų | 75.9 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.8 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | S315 N337 H338 | S315-S335 WeakPolarHBondContact O-CA 3.37Å; S315-S335 PolarHBondContact O-OG 2.88Å; S335-N337 VanDerWaalsContact C-N 3.26Å; S335-N337 VanDerWaalsContact CB-OD1 3.23Å; S335-N337 WeakPolarHBondContact CB-OD1 3.41Å; S335-N337 PolarHBondContact O-N 3.12Å; S335-N337 PolarHBondContact O-OD1 3.45Å; S335-N337 PolarHBondContact OG-OD1 2.84Å; S335-H338 PolarHBondContact O-N 3.2Å; S335-H338 VanDerWaalsContact O-N 3.07Å |
| 336 | T | 91 | Very high | 89.8 | Confident | 17 Ų | 17 | 82.2 Ų | 82.2 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -73.4 | -19 | -166.1 | 55.4 | 0 | 0 | 0 | 0 | 113.4 | V313 F314 S315 H338 A339 | V313-T336 HydrophobicContact CG2-CG2 4.21Å; F314-T336 HydrophobicContact CD2-CG2 3.64Å; F314-T336 HydrophobicContact CE2-CG2 3.5Å; F314-T336 VanDerWaalsContact CE2-CG2 3.5Å; F314-T336 HydrophobicContact CZ-CG2 4.44Å; F314-T336 WeakPolarHBondContact O-CB 3.49Å; F314-T336 WeakPolarHBondContact O-CG2 3.47Å; F314-T336 PolarHBondContact O-OG1 2.86Å; S315-T336 PolarHBondContact O-N 2.99Å; S315-T336 PolarHBondContact O-OG1 3.1Å; T336-H338 PolarHBondContact O-N 3.32Å; T336-A339 WeakPolarHBondContact O-CB 3.47Å; T336-A339 PolarHBondContact O-N 3.22Å; T336-A339 VanDerWaalsContact O-N 3.1Å |
| 337 | N | 90.1 | Very high | 88.2 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 59% | 0.594 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -62.3 | -19.4 | 169 | 73.9 | -42.3 | 0 | 0 | 0 | 113.8 | S335 | S335-N337 VanDerWaalsContact C-N 3.26Å; S335-N337 VanDerWaalsContact CB-OD1 3.23Å; S335-N337 WeakPolarHBondContact CB-OD1 3.41Å; S335-N337 PolarHBondContact O-N 3.12Å; S335-N337 PolarHBondContact O-OD1 3.45Å; S335-N337 PolarHBondContact OG-OD1 2.84Å |
| 338 | H | 88.8 | Confident | 85.4 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 70% | 0.704 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -102.8 | -1 | 175.2 | -54 | 136.3 | 0 | 0 | 0 | 112.7 | S335 T336 | S335-H338 PolarHBondContact O-N 3.2Å; S335-H338 VanDerWaalsContact O-N 3.07Å; T336-H338 PolarHBondContact O-N 3.32Å |
| 339 | A | 90.6 | Very high | 82.5 | Confident | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -76.5 | 145.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T336 L341 T385 I387 | T336-A339 WeakPolarHBondContact O-CB 3.47Å; T336-A339 PolarHBondContact O-N 3.22Å; T336-A339 VanDerWaalsContact O-N 3.1Å; A339-L341 PolarHBondContact O-N 3.16Å; A339-T385 CarbonylContact C-O 3.45Å; A339-T385 WeakPolarHBondContact CA-O 3.32Å; A339-T385 HydrophobicContact CB-CG2 3.71Å; A339-I387 HydrophobicContact CB-CD1 3.76Å; A339-I387 HydrophobicContact CB-CG1 3.8Å |
| 340 | R | 91.5 | Very high | 79.7 | Confident | 148 Ų | 148 | 78.4 Ų | 78.4 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.3 | 179.3 | -178.3 | -179.4 | 171.8 | 179.4 | -0.9 | 110.6 | I342 T385 I386 I387 | R340-I342 HydrophobicContact CG-CD1 4.34Å; R340-I342 HydrophobicContact CG-CG1 3.98Å; R340-T385 PolarHBondContact N-O 3.42Å; R340-I386 WeakPolarHBondContact O-CA 3.45Å; R340-I387 PolarHBondContact O-N 3.32Å |
| 341 | L | 89.4 | Confident | 76.7 | Confident | 109 Ų | 109 | 83 Ų | 83 | 57% | 0.571 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.9 | 168.7 | -131.2 | 82.7 | 0 | 0 | 0 | 110.8 | A339 I387 N389 | A339-L341 PolarHBondContact O-N 3.16Å; L341-I387 WeakPolarHBondContact CA-O 3.27Å; L341-I387 HydrophobicContact CD1-CB 3.96Å; L341-I387 HydrophobicContact CD1-CG2 3.97Å; L341-N389 HydrophobicContact CD2-CB 4.26Å; L341-N389 HydrophobicContact CG-CB 4.25Å |
| 342 | I | 89.2 | Confident | 73.8 | Confident | 30 Ų | 30 | 83.2 Ų | 83.2 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 133.2 | 172 | -42.9 | 178.3 | 0 | 0 | 0 | 110.4 | R340 P344 I347 I386 I387 Y388 N389 | R340-I342 HydrophobicContact CG-CD1 4.34Å; R340-I342 HydrophobicContact CG-CG1 3.98Å; I342-P344 WeakPolarHBondContact O-CD 3.45Å; I342-I347 HydrophobicContact CB-CD1 4.46Å; I342-I347 HydrophobicContact CG2-CD1 3.58Å; I342-I347 HydrophobicContact CG2-CG1 3.6Å; I342-I386 HydrophobicContact CD1-CD1 4.13Å; I342-I386 HydrophobicContact CD1-CG1 4.22Å; I342-I386 HydrophobicContact CD1-CG2 3.7Å; I342-I386 HydrophobicContact CG1-CG2 4Å; I342-I387 PolarHBondContact N-O 3.12Å; I342-Y388 WeakPolarHBondContact O-CA 3.2Å; I342-N389 PolarHBondContact O-N 3.14Å |
| 343 | D | 84.8 | Confident | 70.7 | Confident | 25 Ų | 25 | 84.3 Ų | 84.3 | 13% | 0.134 | 43% | 0.43 | C | S | . | . | trans | -81.3 | 118.5 | 166.6 | 176.8 | -1.5 | 0 | 0 | 0 | 109.7 | N345 Q346 N389 | D343-N345 PolarHBondContact O-N 3.43Å; D343-N345 WeakPolarHBondContact OD1-CB 3.2Å; D343-N345 PolarHBondContact OD1-N 2.9Å; D343-Q346 HydrophobicContact CB-CB 4.25Å; D343-Q346 HydrophobicContact CB-CG 3.99Å; D343-Q346 PolarHBondContact O-N 2.91Å; D343-Q346 WeakPolarHBondContact OD2-CG 3.49Å; D343-Q346 PolarHBondContact OD2-NE2 3.32Å; D343-N389 WeakPolarHBondContact CA-O 3.48Å | ||
| 344 | P | 79.3 | Confident | 67.9 | Low | 14 Ų | 14 | 81.4 Ų | 81.4 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -52.6 | -36.6 | 177 | -25.7 | 34.3 | 0 | 0 | 0 | 113.9 | I342 Q346 I347 L352 Y388 N390 W393 | I342-P344 WeakPolarHBondContact O-CD 3.45Å; P344-Q346 PolarHBondContact O-N 3.37Å; P344-I347 PolarHBondContact O-N 3.33Å; P344-L352 HydrophobicContact CB-CD1 4.01Å; P344-Y388 HydrophobicContact CG-CD1 4.29Å; P344-N390 HydrophobicContact CG-CB 4.38Å; P344-W393 HydrophobicContact CG-CH2 3.63Å; P344-W393 HydrophobicContact CG-CZ2 4.04Å; P344-W393 HydrophobicContact CG-CZ3 4.28Å |
| 345 | N | 77.6 | Confident | 64.8 | Low | 107 Ų | 107 | 83.1 Ų | 83.1 | 57% | 0.572 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -71 | -16.7 | -177.1 | -69.8 | -11.9 | 0 | 0 | 0 | 112.8 | D343 N390 | D343-N345 PolarHBondContact O-N 3.43Å; D343-N345 WeakPolarHBondContact OD1-CB 3.2Å; D343-N345 PolarHBondContact OD1-N 2.9Å; N345-N390 VanDerWaalsContact CG-ND2 3.31Å; N345-N390 PolarHBondContact ND2-ND2 3.42Å; N345-N390 VanDerWaalsContact ND2-ND2 3.14Å; N345-N390 PolarHBondContact ND2-OD1 3.33Å; N345-N390 PolarHBondContact OD1-ND2 2.85Å |
| 346 | Q | 69.5 | Low | 61.8 | Low | 151 Ų | 151 | 85.7 Ų | 85.7 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -94.8 | -5.8 | 177.5 | -63.7 | 176.6 | 43.5 | 0 | 0 | 112.6 | D343 P344 | D343-Q346 HydrophobicContact CB-CB 4.25Å; D343-Q346 HydrophobicContact CB-CG 3.99Å; D343-Q346 PolarHBondContact O-N 2.91Å; D343-Q346 WeakPolarHBondContact OD2-CG 3.49Å; D343-Q346 PolarHBondContact OD2-NE2 3.32Å; P344-Q346 PolarHBondContact O-N 3.37Å |
| 347 | I | 61 | Low | 58.8 | Low | 32 Ų | 32 | 91 Ų | 91 | 16% | 0.164 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -88.5 | 125.6 | 172.8 | -48.9 | 172.8 | 0 | 0 | 0 | 107.9 | I342 P344 R351 L352 Y388 | I342-I347 HydrophobicContact CB-CD1 4.46Å; I342-I347 HydrophobicContact CG2-CD1 3.58Å; I342-I347 HydrophobicContact CG2-CG1 3.6Å; P344-I347 PolarHBondContact O-N 3.33Å; I347-R351 HydrophobicContact CG2-CB 3.51Å; I347-L352 HydrophobicContact CB-CD1 4.21Å; I347-L352 HydrophobicContact CB-CG 4.26Å; I347-L352 HydrophobicContact CD1-CD1 4.18Å; I347-L352 HydrophobicContact CD1-CD2 3.85Å; I347-L352 HydrophobicContact CD1-CG 3.89Å; I347-L352 HydrophobicContact CG2-CG 4.23Å; I347-Y388 HydrophobicContact CD1-CD1 4.46Å; I347-Y388 HydrophobicContact CD1-CE1 4.05Å |
| 348 | N | 37.3 | Very low | 55.8 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | trans | -52.3 | 127.8 | 166.2 | -87.2 | -22.9 | 0 | 0 | 0 | 108.9 | T350 R351 | N348-T350 PolarHBondContact O-N 3.33Å; N348-R351 PolarHBondContact O-N 3.34Å | ||
| 349 | P | 35.4 | Very low | 53.1 | Low | 102 Ų | 102 | 88.5 Ų | 88.5 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -58.2 | -25.5 | -166.2 | 17.4 | -30.9 | 0 | 0 | 0 | 114.1 | R351 L352 S353 | P349-R351 PolarHBondContact O-N 2.97Å; P349-L352 PolarHBondContact O-N 3.04Å; P349-S353 PolarHBondContact O-N 3.07Å |
| 350 | T | 30.5 | Very low | 50.1 | Low | 113 Ų | 113 | 95 Ų | 95 | 69% | 0.693 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -61.8 | -1.3 | 170.7 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | N348 S353 | N348-T350 PolarHBondContact O-N 3.33Å; T350-S353 PolarHBondContact O-OG 3.14Å |
| 351 | R | 30.4 | Very low | 47 | Very low | 201 Ų | 201 | 95.5 Ų | 95.5 | 76% | 0.758 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -114.6 | -8.1 | 170.6 | -87.5 | -171.8 | 178.1 | -139.1 | 2 | 114.6 | I347 N348 P349 | I347-R351 HydrophobicContact CG2-CB 3.51Å; N348-R351 PolarHBondContact O-N 3.34Å; P349-R351 PolarHBondContact O-N 2.97Å |
| 352 | L | 34.2 | Very low | 44.1 | Very low | 71 Ų | 71 | 94.1 Ų | 94.1 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -23.4 | 168.2 | -82.6 | 166.4 | 0 | 0 | 0 | 111.5 | P344 I347 P349 I354 Y388 | P344-L352 HydrophobicContact CB-CD1 4.01Å; I347-L352 HydrophobicContact CB-CD1 4.21Å; I347-L352 HydrophobicContact CB-CG 4.26Å; I347-L352 HydrophobicContact CD1-CD1 4.18Å; I347-L352 HydrophobicContact CD1-CD2 3.85Å; I347-L352 HydrophobicContact CD1-CG 3.89Å; I347-L352 HydrophobicContact CG2-CG 4.23Å; P349-L352 PolarHBondContact O-N 3.04Å; L352-I354 PolarHBondContact O-N 2.93Å; L352-Y388 HydrophobicContact CD2-CD1 4.45Å; L352-Y388 HydrophobicContact CD2-CE1 3.85Å |
| 353 | S | 30.2 | Very low | 41.2 | Very low | 49 Ų | 49 | 96.7 Ų | 96.7 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | trans | -70.4 | 70.9 | 158.8 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | P349 T350 S355 | P349-S353 PolarHBondContact O-N 3.07Å; T350-S353 PolarHBondContact O-OG 3.14Å; S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 VanDerWaalsContact O-N 3.16Å | ||
| 354 | I | 36.6 | Very low | 38.5 | Very low | 70 Ų | 70 | 100.5 Ų | 100.5 | 36% | 0.359 | 55% | 0.55 | S | S | . | . | trans | -76.4 | 83.5 | 144.4 | -58.2 | 178.6 | 0 | 0 | 0 | 105 | L352 | L352-I354 PolarHBondContact O-N 2.93Š| ||
| 355 | S | 28.4 | Very low | 36 | Very low | 57 Ų | 57 | 104.2 Ų | 104.2 | 40% | 0.399 | 58% | 0.576 | S | S | . | * | trans | -72.4 | 146.4 | 161.2 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | S353 N357 D358 | S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 VanDerWaalsContact O-N 3.16Å; S355-N357 PolarHBondContact O-N 2.81Å; S355-D358 PolarHBondContact O-N 3.15Å | ||
| 356 | D | 32.1 | Very low | 33.6 | Very low | 97 Ų | 97 | 102.9 Ų | 102.9 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -0.3 | -168.8 | -57.8 | -82 | 0 | 0 | 0 | 115.3 | N430 | D356-N430 PolarHBondContact OD1-ND2 2.92Š|
| 357 | N | 27.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 103.1 Ų | 103.1 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -31.7 | 179.9 | -64.6 | -22.5 | 0 | 0 | 0 | 113.5 | S355 I359 Q360 | S355-N357 PolarHBondContact O-N 2.81Å; N357-I359 PolarHBondContact O-N 3.3Å; N357-I359 VanDerWaalsContact O-N 3.15Å; N357-Q360 PolarHBondContact O-N 2.88Å |
| 358 | D | 27.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 106.9 Ų | 106.9 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -4.7 | -171.9 | -84.8 | -9.5 | 0 | 0 | 0 | 114.3 | S355 | S355-D358 PolarHBondContact O-N 3.15Š|
| 359 | I | 32.5 | Very low | 29.9 | Very low | 83 Ų | 83 | 112 Ų | 112 | 43% | 0.426 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | -18.2 | 177.5 | -63.9 | -179.9 | 0 | 0 | 0 | 112.1 | I297 N357 | I297-I359 HydrophobicContact CG2-CD1 3.97Å; N357-I359 PolarHBondContact O-N 3.3Å; N357-I359 VanDerWaalsContact O-N 3.15Å |
| 360 | Q | 26 | Very low | 29.6 | Very low | 156 Ų | 156 | 114.3 Ų | 114.3 | 73% | 0.729 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -87.4 | -5.5 | -178.6 | -67.2 | -157.3 | 4 | 0 | 0 | 115.4 | N357 | N357-Q360 PolarHBondContact O-N 2.88Š|
| 361 | L | 27.5 | Very low | 29.6 | Very low | 157 Ų | 157 | 119 Ų | 119 | 82% | 0.822 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -113.6 | 33.5 | -172.5 | -126.9 | 79.8 | 0 | 0 | 0 | 116.3 | ||
| 362 | S | 27.5 | Very low | 29.3 | Very low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -132.8 | -6.3 | 173.6 | 62.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 363 | S | 29.2 | Very low | 28.9 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -86 | -6.3 | -172.3 | 51.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 364 | S | 27 | Very low | 28.8 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -117.3 | -6.4 | -166.9 | 55.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 365 | S | 26.8 | Very low | 28.4 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -124.9 | -11.5 | -173.5 | 57.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 366 | S | 28.1 | Very low | 28.3 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -102.8 | -13.6 | -172.6 | -61.1 | 0 | 0 | 0 | 0 | 115.5 | S368 R369 | S366-S368 PolarHBondContact O-N 3.21Å; S366-R369 PolarHBondContact O-N 3.26Å |
| 367 | L | 29.6 | Very low | 28.1 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -5.9 | -170 | -84.5 | 159.4 | 0 | 0 | 0 | 115.5 | ||
| 368 | S | 30 | Very low | 28.1 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -7.6 | -177.3 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | S366 | S366-S368 PolarHBondContact O-N 3.21Š|
| 369 | R | 29.8 | Very low | 28.3 | Very low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -112.9 | -4.1 | -172.5 | -152.7 | 174.2 | -72.1 | -166.7 | -0.2 | 116.1 | S366 | S366-R369 PolarHBondContact O-N 3.26Š|
| 370 | L | 30.1 | Very low | 28.2 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -99.4 | 12 | -176.6 | -92 | 164.7 | 0 | 0 | 0 | 115.6 | R372 | L370-R372 VanDerWaalsContact C-N 3.3Å; L370-R372 PolarHBondContact O-N 3.29Å | ||
| 371 | K | 29.9 | Very low | 28.7 | Very low | 211 Ų | 211 | 137 Ų | 137 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -88.6 | 27.9 | -175.1 | -142.7 | 172.7 | -172.2 | 176.9 | 0 | 114.9 | ||
| 372 | R | 25 | Very low | 29.8 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -151 | 58.2 | -179.4 | -163.8 | 179.4 | -77.1 | -171.4 | -4.1 | 113.3 | L370 | L370-R372 VanDerWaalsContact C-N 3.3Å; L370-R372 PolarHBondContact O-N 3.29Å |
| 373 | A | 25.6 | Very low | 31.5 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | trans | -150.9 | 69.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 374 | S | 28.2 | Very low | 34 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -73.6 | 145.7 | 167.9 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 375 | N | 27.8 | Very low | 37 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 85.3 | 42.8 | 173.8 | -47.9 | -8.7 | 0 | 0 | 0 | 117 | ||
| 376 | S | 26.4 | Very low | 40.2 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -151.2 | 130.1 | 139.7 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | D378 | S376-D378 PolarHBondContact O-N 3.03Š| ||
| 377 | M | 27 | Very low | 43.3 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 100% | 0.995 | 68% | 0.679 | S | S | * | * | trans | -92.5 | 88.5 | 166.5 | -77.2 | 176.6 | 62.9 | 0 | 0 | 107.8 | ||||
| 378 | D | 28.6 | Very low | 46.2 | Very low | 138 Ų | 138 | 121.1 Ų | 121.1 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | trans | -113.2 | 152.1 | 170.4 | -160.8 | -1 | 0 | 0 | 0 | 109.9 | S376 G380 | S376-D378 PolarHBondContact O-N 3.03Å; D378-G380 PolarHBondContact O-N 2.75Å | ||
| 379 | N | 31 | Very low | 49 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -72.8 | 125.8 | -163.4 | -73.8 | -55.3 | 0 | 0 | 0 | 112.5 | L381 | N379-L381 VanDerWaalsContact C-N 3.33Å; N379-L381 PolarHBondContact O-N 2.92Å | ||
| 380 | G | 30.3 | Very low | 51.6 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 76% | 0.763 | 58% | 0.581 | S | S | * | * | trans | -72.2 | 78.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D378 I382 | D378-G380 PolarHBondContact O-N 2.75Å; G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.69Å; G380-I382 VanDerWaalsContact O-N 3.12Å | ||
| 381 | L | 37.9 | Very low | 54.1 | Low | 169 Ų | 169 | 108.2 Ų | 108.2 | 89% | 0.885 | 58% | 0.579 | S | S | * | * | trans | 48.4 | 44.1 | 160.7 | -85.2 | 160.8 | 0 | 0 | 0 | 115.8 | N379 Q383 | N379-L381 VanDerWaalsContact C-N 3.33Å; N379-L381 PolarHBondContact O-N 2.92Å; L381-Q383 PolarHBondContact O-N 3.05Å | ||
| 382 | I | 50.9 | Low | 56.6 | Low | 110 Ų | 110 | 102.8 Ų | 102.8 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.1 | 154.7 | -55.6 | 178.2 | 0 | 0 | 0 | 106.2 | G380 P402 | G380-I382 VanDerWaalsContact C-N 3.33Å; G380-I382 PolarHBondContact O-N 2.69Å; G380-I382 VanDerWaalsContact O-N 3.12Å; I382-P402 HydrophobicContact CG2-CG 4.26Å |
| 383 | Q | 61.2 | Low | 59.2 | Low | 121 Ų | 121 | 92.3 Ų | 92.3 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 149.5 | 176.7 | -67.8 | 178.2 | -9.6 | 0 | 0 | 110.2 | L381 P402 | L381-Q383 PolarHBondContact O-N 3.05Å; Q383-P402 HydrophobicContact CB-CB 4.33Å; Q383-P402 HydrophobicContact CB-CG 4.07Å; Q383-P402 WeakPolarHBondContact O-CG 3.26Å |
| 384 | D | 82.2 | Confident | 61.8 | Low | 115 Ų | 115 | 92.6 Ų | 92.6 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 149.6 | 175.1 | -57.4 | -50.5 | 0 | 0 | 0 | 111.1 | I386 | D384-I386 PolarHBondContact O-N 2.77Š|
| 385 | T | 91 | Very high | 64.5 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 11% | 0.11 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -65 | 131.4 | 165.3 | -63.3 | 0 | 0 | 0 | 0 | 108.9 | I334 A339 R340 V399 Q400 I401 | I334-T385 HydrophobicContact CD1-CG2 3.64Å; A339-T385 CarbonylContact C-O 3.45Å; A339-T385 WeakPolarHBondContact CA-O 3.32Å; A339-T385 HydrophobicContact CB-CG2 3.71Å; R340-T385 PolarHBondContact N-O 3.42Å; T385-V399 HydrophobicContact CG2-CG1 4Å; T385-Q400 WeakPolarHBondContact CG2-O 3.47Å; T385-I401 HydrophobicContact CG2-CG1 4.46Å |
| 386 | I | 93 | Very high | 67.4 | Low | 28 Ų | 28 | 81 Ų | 81 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.6 | -179.7 | -65.1 | 169.8 | 0 | 0 | 0 | 109.4 | R340 I342 D384 Y388 Q400 | R340-I386 WeakPolarHBondContact O-CA 3.45Å; I342-I386 HydrophobicContact CD1-CD1 4.13Å; I342-I386 HydrophobicContact CD1-CG1 4.22Å; I342-I386 HydrophobicContact CD1-CG2 3.7Å; I342-I386 HydrophobicContact CG1-CG2 4Å; D384-I386 PolarHBondContact O-N 2.77Å; I386-Y388 HydrophobicContact CB-CE2 4.37Å; I386-Y388 HydrophobicContact CG2-CD1 4.09Å; I386-Y388 HydrophobicContact CG2-CD2 3.99Å; I386-Y388 HydrophobicContact CG2-CE1 3.82Å; I386-Y388 HydrophobicContact CG2-CE2 3.71Å; I386-Y388 HydrophobicContact CG2-CG 4.18Å; I386-Q400 PolarHBondContact N-O 2.88Å; I386-Q400 PolarHBondContact O-N 2.96Å |
| 387 | I | 93 | Very high | 70.5 | Confident | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.1 | 166.2 | -59.7 | 177.3 | 0 | 0 | 0 | 107.6 | V313 A339 R340 L341 I342 L397 V399 | V313-I387 HydrophobicContact CG2-CD1 4.42Å; A339-I387 HydrophobicContact CB-CD1 3.76Å; A339-I387 HydrophobicContact CB-CG1 3.8Å; R340-I387 PolarHBondContact O-N 3.32Å; L341-I387 WeakPolarHBondContact CA-O 3.27Å; L341-I387 HydrophobicContact CD1-CB 3.96Å; L341-I387 HydrophobicContact CD1-CG2 3.97Å; I342-I387 PolarHBondContact N-O 3.12Å; I387-L397 HydrophobicContact CG2-CB 4.43Å; I387-L397 HydrophobicContact CG2-CD2 4.32Å; I387-V399 HydrophobicContact CG1-CG1 4.19Å; I387-V399 HydrophobicContact CG1-CG2 4.17Å |
| 388 | Y | 91.6 | Very high | 73.6 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.9 | 170.5 | -59.3 | -80.5 | 0 | 0 | 0 | 109.1 | I342 P344 I347 L352 I386 V398 Q400 | I342-Y388 WeakPolarHBondContact O-CA 3.2Å; P344-Y388 HydrophobicContact CG-CD1 4.29Å; I347-Y388 HydrophobicContact CD1-CD1 4.46Å; I347-Y388 HydrophobicContact CD1-CE1 4.05Å; L352-Y388 HydrophobicContact CD2-CD1 4.45Å; L352-Y388 HydrophobicContact CD2-CE1 3.85Å; I386-Y388 HydrophobicContact CB-CE2 4.37Å; I386-Y388 HydrophobicContact CG2-CD1 4.09Å; I386-Y388 HydrophobicContact CG2-CD2 3.99Å; I386-Y388 HydrophobicContact CG2-CE1 3.82Å; I386-Y388 HydrophobicContact CG2-CE2 3.71Å; I386-Y388 HydrophobicContact CG2-CG 4.18Å; Y388-V398 HydrophobicContact CD2-CB 4.26Å; Y388-V398 HydrophobicContact CD2-CG1 4.46Å; Y388-V398 PolarHBondContact N-O 3.26Å; Y388-V398 PolarHBondContact O-N 2.86Å; Y388-V398 VanDerWaalsContact O-N 3.1Å; Y388-Q400 HydrophobicContact CE2-CB 4Å |
| 389 | N | 88.7 | Confident | 76.7 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 110.8 | 179.7 | -177.9 | -9.3 | 0 | 0 | 0 | 108.8 | L341 I342 D343 L397 | L341-N389 HydrophobicContact CD2-CB 4.26Å; L341-N389 HydrophobicContact CG-CB 4.25Å; I342-N389 PolarHBondContact O-N 3.14Å; D343-N389 WeakPolarHBondContact CA-O 3.48Å; N389-L397 HydrophobicContact CB-CD2 3.56Å; N389-L397 VanDerWaalsContact CG-CD2 3.43Å |
| 390 | N | 84.9 | Confident | 79.8 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | trans | -106.4 | 129 | 174.1 | -165 | -35.1 | 0 | 0 | 0 | 109.2 | P344 N345 E392 W393 | P344-N390 HydrophobicContact CG-CB 4.38Å; N345-N390 VanDerWaalsContact CG-ND2 3.31Å; N345-N390 PolarHBondContact ND2-ND2 3.42Å; N345-N390 VanDerWaalsContact ND2-ND2 3.14Å; N345-N390 PolarHBondContact ND2-OD1 3.33Å; N345-N390 PolarHBondContact OD1-ND2 2.85Å; N390-E392 PolarHBondContact O-N 3.13Å; N390-E392 WeakPolarHBondContact OD1-CB 3.39Å; N390-E392 PolarHBondContact OD1-N 2.74Å; N390-W393 HydrophobicContact CB-CD2 3.42Å; N390-W393 VanDerWaalsContact CB-CD2 3.42Å; N390-W393 HydrophobicContact CB-CE3 3.82Å; N390-W393 HydrophobicContact CB-CG 3.73Å; N390-W393 HydrophobicContact CB-CH2 4.39Å; N390-W393 HydrophobicContact CB-CZ2 4.02Å; N390-W393 HydrophobicContact CB-CZ3 4.29Å; N390-W393 PolarHBondContact O-N 2.81Å | ||
| 391 | H | 82.6 | Confident | 82.9 | Confident | 163 Ų | 163 | 51 Ų | 51 | 76% | 0.755 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.2 | 176.2 | -62.8 | -55.1 | 0 | 0 | 0 | 113.7 | ||
| 392 | E | 81 | Confident | 85.6 | Confident | 96 Ų | 96 | 43.7 Ų | 43.7 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.2 | 174.5 | -71.4 | -143 | -175.2 | 0 | 0 | 115.9 | K12 Q15 N390 | K12-E392 WeakPolarHBondContact CE-OE2 3.33Å; K12-E392 PolarHBondContact NZ-O 3.02Å; K12-E392 IonicContact NZ-OE2 3.12Å; K12-E392 PolarHBondContact NZ-OE2 3.18Å; Q15-E392 PolarHBondContact NE2-OE2 2.67Å; N390-E392 PolarHBondContact O-N 3.13Å; N390-E392 WeakPolarHBondContact OD1-CB 3.39Å; N390-E392 PolarHBondContact OD1-N 2.74Å |
| 393 | W | 80.5 | Confident | 87.7 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -90.8 | 9.4 | -171 | -63.4 | -13 | 0 | 0 | 0 | 114.7 | L256 P344 N390 G395 A396 V398 | L256-W393 HydrophobicContact CB-CB 4.4Å; L256-W393 HydrophobicContact CB-CD2 4.33Å; L256-W393 HydrophobicContact CB-CG 4.07Å; L256-W393 HydrophobicContact CD1-CD2 3.94Å; L256-W393 HydrophobicContact CD1-CE3 4.32Å; L256-W393 HydrophobicContact CD1-CG 4.47Å; L256-W393 HydrophobicContact CD1-CH2 4.14Å; L256-W393 HydrophobicContact CD1-CZ2 3.76Å; L256-W393 HydrophobicContact CD1-CZ3 4.42Å; L256-W393 HydrophobicContact CD2-CD2 4.43Å; L256-W393 HydrophobicContact CD2-CE3 4.27Å; L256-W393 HydrophobicContact CG-CD2 4.49Å; L256-W393 CarbonylContact O-C 3.6Å; L256-W393 WeakPolarHBondContact O-CA 3.39Å; P344-W393 HydrophobicContact CG-CH2 3.63Å; P344-W393 HydrophobicContact CG-CZ2 4.04Å; P344-W393 HydrophobicContact CG-CZ3 4.28Å; N390-W393 HydrophobicContact CB-CD2 3.42Å; N390-W393 VanDerWaalsContact CB-CD2 3.42Å; N390-W393 HydrophobicContact CB-CE3 3.82Å; N390-W393 HydrophobicContact CB-CG 3.73Å; N390-W393 HydrophobicContact CB-CH2 4.39Å; N390-W393 HydrophobicContact CB-CZ2 4.02Å; N390-W393 HydrophobicContact CB-CZ3 4.29Å; N390-W393 PolarHBondContact O-N 2.81Å; W393-G395 PolarHBondContact O-N 3.03Å; W393-A396 HydrophobicContact CB-CB 4.15Å; W393-A396 PolarHBondContact O-N 2.54Å; W393-V398 HydrophobicContact CH2-CG2 4.43Å; W393-V398 HydrophobicContact CZ3-CG2 3.98Å |
| 394 | D | 81.2 | Confident | 89.2 | Confident | 88 Ų | 88 | 34.9 Ų | 34.9 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 31.8 | 172.2 | -151.3 | 9.5 | 0 | 0 | 0 | 115.4 | N258 F304 | N258-D394 HydrophobicContact CB-CB 4.25Å; N258-D394 VanDerWaalsContact CB-OD2 3.31Å; N258-D394 WeakPolarHBondContact CB-OD2 3.48Å; N258-D394 PolarHBondContact ND2-OD2 2.87Å; F304-D394 WeakPolarHBondContact CZ-O 3.3Å |
| 395 | G | 84 | Confident | 89.7 | Confident | 26 Ų | 26 | 33 Ų | 33 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 116.9 | -15.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D305 W393 | D305-G395 PolarHBondContact N-O 2.89Å; D305-G395 WeakPolarHBondContact O-CA 3.32Å; W393-G395 PolarHBondContact O-N 3.03Å |
| 396 | A | 88.4 | Confident | 90 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L256 T303 F304 W393 | L256-A396 HydrophobicContact CB-CB 4.21Å; L256-A396 HydrophobicContact CD2-CB 3.81Å; T303-A396 WeakPolarHBondContact O-CA 3.5Å; F304-A396 HydrophobicContact CD2-CB 3.75Å; F304-A396 HydrophobicContact CE2-CB 3.99Å; F304-A396 VanDerWaalsContact CE2-N 3.35Å; W393-A396 HydrophobicContact CB-CB 4.15Å; W393-A396 PolarHBondContact O-N 2.54Å |
| 397 | L | 91.6 | Very high | 90.1 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.7 | -175.1 | -62.3 | 175.8 | 0 | 0 | 0 | 110.1 | T303 D305 V313 I387 N389 | T303-L397 HydrophobicContact CG2-CB 4.07Å; T303-L397 PolarHBondContact N-O 2.91Å; T303-L397 PolarHBondContact O-N 3.09Å; D305-L397 HydrophobicContact CB-CD1 3.85Å; V313-L397 HydrophobicContact CB-CD1 4.07Å; I387-L397 HydrophobicContact CG2-CB 4.43Å; I387-L397 HydrophobicContact CG2-CD2 4.32Å; N389-L397 HydrophobicContact CB-CD2 3.56Å; N389-L397 VanDerWaalsContact CG-CD2 3.43Å |
| 398 | V | 92.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.3 | 172.5 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | L256 R300 I301 F302 Y388 W393 | L256-V398 HydrophobicContact CD2-CG2 4.16Å; R300-V398 HydrophobicContact CB-CG1 4.28Å; R300-V398 HydrophobicContact CG-CG1 4.36Å; I301-V398 WeakPolarHBondContact O-CA 3.23Å; F302-V398 HydrophobicContact CD1-CG1 4.4Å; F302-V398 HydrophobicContact CD1-CG2 3.58Å; F302-V398 HydrophobicContact CD2-CG1 4.21Å; F302-V398 HydrophobicContact CE1-CB 4.32Å; F302-V398 HydrophobicContact CE1-CG1 3.98Å; F302-V398 HydrophobicContact CE1-CG2 3.36Å; F302-V398 HydrophobicContact CE2-CG1 3.67Å; F302-V398 HydrophobicContact CG-CG2 4.29Å; F302-V398 HydrophobicContact CZ-CB 4.39Å; F302-V398 HydrophobicContact CZ-CG1 3.56Å; F302-V398 HydrophobicContact CZ-CG2 3.87Å; Y388-V398 HydrophobicContact CD2-CB 4.26Å; Y388-V398 HydrophobicContact CD2-CG1 4.46Å; Y388-V398 PolarHBondContact N-O 3.26Å; Y388-V398 PolarHBondContact O-N 2.86Å; Y388-V398 VanDerWaalsContact O-N 3.1Å; W393-V398 HydrophobicContact CH2-CG2 4.43Å; W393-V398 HydrophobicContact CZ3-CG2 3.98Å |
| 399 | V | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.2 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | R300 I301 T303 V313 F314 T385 I387 I401 | R300-V399 CarbonylContact C-O 3.57Å; R300-V399 VanDerWaalsContact CA-O 3.3Å; R300-V399 WeakPolarHBondContact CA-O 3.27Å; I301-V399 HydrophobicContact CB-CB 4.48Å; I301-V399 PolarHBondContact N-O 2.88Å; I301-V399 PolarHBondContact O-N 2.93Å; T303-V399 HydrophobicContact CG2-CG2 4.1Å; V313-V399 HydrophobicContact CG2-CG2 3.94Å; F314-V399 HydrophobicContact CE1-CG2 4.11Å; F314-V399 HydrophobicContact CE2-CG1 4.39Å; F314-V399 HydrophobicContact CZ-CB 3.95Å; F314-V399 HydrophobicContact CZ-CG1 3.92Å; F314-V399 HydrophobicContact CZ-CG2 3.78Å; T385-V399 HydrophobicContact CG2-CG1 4Å; I387-V399 HydrophobicContact CG1-CG1 4.19Å; I387-V399 HydrophobicContact CG1-CG2 4.17Å; V399-I401 HydrophobicContact CG1-CG1 4.19Å |
| 400 | Q | 94.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.2 | 175.7 | -175.1 | 178.3 | -66.4 | 0 | 0 | 110.6 | W298 L299 R300 T385 I386 Y388 | W298-Q400 HydrophobicContact CB-CG 4.5Å; L299-Q400 CarbonylContact O-C 3.51Å; L299-Q400 WeakPolarHBondContact O-CA 3.24Å; R300-Q400 HydrophobicContact CG-CB 4.06Å; R300-Q400 HydrophobicContact CG-CG 3.98Å; R300-Q400 VanDerWaalsContact CZ-OE1 3.26Å; T385-Q400 WeakPolarHBondContact CG2-O 3.47Å; I386-Q400 PolarHBondContact N-O 2.88Å; I386-Q400 PolarHBondContact O-N 2.96Å; Y388-Q400 HydrophobicContact CE2-CB 4Å |
| 401 | I | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.3 | -176.9 | -46.4 | 178.6 | 0 | 0 | 0 | 108.5 | W298 L299 I301 A317 V319 I334 T385 V399 L403 | W298-I401 CarbonylContact C-O 3.58Å; W298-I401 VanDerWaalsContact CA-O 3.29Å; W298-I401 WeakPolarHBondContact CA-O 3.4Å; W298-I401 WeakPolarHBondContact CB-O 3.47Å; L299-I401 HydrophobicContact CB-CB 4.47Å; L299-I401 HydrophobicContact CD2-CD1 4.23Å; L299-I401 PolarHBondContact N-O 3.1Å; L299-I401 PolarHBondContact O-N 2.82Å; I301-I401 HydrophobicContact CD1-CD1 3.82Å; A317-I401 HydrophobicContact CB-CD1 4.09Å; V319-I401 HydrophobicContact CG2-CD1 4.35Å; I334-I401 HydrophobicContact CD1-CD1 3.57Å; I334-I401 HydrophobicContact CD1-CG1 3.71Å; I334-I401 HydrophobicContact CD1-CG2 4.22Å; I334-I401 HydrophobicContact CG1-CD1 4.2Å; I334-I401 HydrophobicContact CG1-CG2 4.45Å; I334-I401 HydrophobicContact CG2-CG2 4.17Å; T385-I401 HydrophobicContact CG2-CG1 4.46Å; V399-I401 HydrophobicContact CG1-CG1 4.19Å; I401-L403 HydrophobicContact CB-CD2 4.44Å; I401-L403 HydrophobicContact CG2-CD2 4.07Å |
| 402 | P | 95.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.104 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.6 | 174.2 | 25.1 | -24 | 0 | 0 | 0 | 110.9 | I382 Q383 | I382-P402 HydrophobicContact CG2-CG 4.26Å; Q383-P402 HydrophobicContact CB-CB 4.33Å; Q383-P402 HydrophobicContact CB-CG 4.07Å; Q383-P402 WeakPolarHBondContact O-CG 3.26Å |
| 403 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 22.2 | -167.9 | -63.8 | -166.9 | 0 | 0 | 0 | 114.8 | F296 I297 L299 V319 F321 I332 I401 S405 Y406 F429 | F296-L403 HydrophobicContact CB-CB 3.82Å; F296-L403 HydrophobicContact CB-CD1 3.85Å; F296-L403 HydrophobicContact CD1-CD1 4.19Å; F296-L403 HydrophobicContact CG-CD1 4.35Å; F296-L403 CarbonylContact O-C 3.57Å; I297-L403 PolarHBondContact O-N 2.93Å; L299-L403 HydrophobicContact CB-CD1 3.75Å; L299-L403 HydrophobicContact CB-CD2 4.14Å; L299-L403 HydrophobicContact CB-CG 4.04Å; V319-L403 HydrophobicContact CB-CD2 4.18Å; V319-L403 HydrophobicContact CG1-CD1 4.39Å; V319-L403 HydrophobicContact CG1-CD2 3.91Å; V319-L403 HydrophobicContact CG2-CD2 4.11Å; F321-L403 HydrophobicContact CE1-CB 4.48Å; F321-L403 HydrophobicContact CE1-CD1 4.22Å; F321-L403 HydrophobicContact CZ-CB 3.98Å; F321-L403 HydrophobicContact CZ-CD1 4Å; F321-L403 HydrophobicContact CZ-CD2 4.09Å; F321-L403 HydrophobicContact CZ-CG 4.23Å; I332-L403 HydrophobicContact CD1-CB 4.44Å; I332-L403 HydrophobicContact CD1-CD2 4.25Å; I401-L403 HydrophobicContact CB-CD2 4.44Å; I401-L403 HydrophobicContact CG2-CD2 4.07Å; L403-S405 PolarHBondContact O-N 2.72Å; L403-Y406 PolarHBondContact O-N 2.72Å; L403-F429 HydrophobicContact CD1-CD1 4.39Å |
| 404 | A | 91.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 37% | 0.372 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 17.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | I332 Y406 | I332-A404 HydrophobicContact CD1-CB 3.94Å; A404-Y406 HydrophobicContact CB-CD2 4.4Å; A404-Y406 HydrophobicContact CB-CE1 4.38Å; A404-Y406 HydrophobicContact CB-CE2 4.28Å; A404-Y406 PolarHBondContact O-N 3.22Å |
| 405 | S | 94.1 | Very high | 95 | Very high | 76 Ų | 76 | 26.7 Ų | 26.7 | 53% | 0.531 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57 | 32.2 | -173.9 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | T295 F296 L403 | T295-S405 WeakPolarHBondContact CG2-O 3.48Å; F296-S405 WeakPolarHBondContact O-CA 3.2Å; F296-S405 PolarHBondContact O-N 2.69Å; L403-S405 PolarHBondContact O-N 2.72Å |
| 406 | Y | 95.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 26.6 Ų | 26.6 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 152 | 172.4 | -71.3 | -27.9 | 0 | 0 | 0 | 112 | T295 F296 F321 K330 I332 L403 A404 | T295-Y406 CarbonylContact C-O 3.55Å; T295-Y406 WeakPolarHBondContact CA-O 3.47Å; F296-Y406 PolarHBondContact N-O 3.02Å; F321-Y406 AromaticContact CD2-CD2 3.67Å; F321-Y406 HydrophobicContact CD2-CD2 3.67Å; F321-Y406 HydrophobicContact CD2-CE2 4.49Å; F321-Y406 HydrophobicContact CD2-CG 4.47Å; F321-Y406 AromaticContact CE2-CD2 3.68Å; F321-Y406 HydrophobicContact CE2-CD2 3.68Å; F321-Y406 HydrophobicContact CE2-CE2 4.48Å; F321-Y406 HydrophobicContact CG-CD2 4.24Å; F321-Y406 HydrophobicContact CZ-CD2 4.22Å; K330-Y406 HydrophobicContact CB-CD2 4.32Å; K330-Y406 HydrophobicContact CB-CE2 4.21Å; K330-Y406 HydrophobicContact CD-CD1 3.98Å; K330-Y406 HydrophobicContact CD-CE1 4.07Å; K330-Y406 HydrophobicContact CD-CG 4.22Å; I332-Y406 HydrophobicContact CD1-CD2 3.96Å; I332-Y406 HydrophobicContact CD1-CE2 3.93Å; I332-Y406 HydrophobicContact CG1-CD2 4.16Å; I332-Y406 HydrophobicContact CG1-CE2 3.73Å; L403-Y406 PolarHBondContact O-N 2.72Å; A404-Y406 HydrophobicContact CB-CD2 4.4Å; A404-Y406 HydrophobicContact CB-CE1 4.38Å; A404-Y406 HydrophobicContact CB-CE2 4.28Å; A404-Y406 PolarHBondContact O-N 3.22Å |
| 407 | R | 96.8 | Very high | 95.9 | Very high | 159 Ų | 159 | 26.8 Ų | 26.8 | 60% | 0.6 | 13% | 0.133 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.5 | -179.4 | -69.6 | 178.5 | -177 | 143.1 | 4.1 | 111 | R294 T295 V434 | R294-R407 VanDerWaalsContact O-CA 3.25Å; R294-R407 WeakPolarHBondContact O-CA 3.34Å; T295-R407 HydrophobicContact CG2-CG 4.28Å; T295-R407 PolarHBondContact OG1-NE 2.95Å; R407-V434 HydrophobicContact CG-CG2 3.96Å |
| 408 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 166.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R294 F296 F321 S322 Y410 V411 | R294-A408 PolarHBondContact N-O 3.03Å; R294-A408 PolarHBondContact O-N 3.19Å; F296-A408 HydrophobicContact CD2-CB 4.34Å; F296-A408 HydrophobicContact CE2-CB 3.9Å; F321-A408 HydrophobicContact CB-CB 4.06Å; F321-A408 HydrophobicContact CD1-CB 3.97Å; S322-A408 WeakPolarHBondContact O-CB 3.33Å; A408-Y410 WeakPolarHBondContact CB-O 3.42Å; A408-V411 HydrophobicContact CB-CG2 4.45Å |
| 409 | R | 97.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 31.2 Ų | 31.2 | 25% | 0.253 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | -12 | 160.6 | -168 | 169.4 | -172.6 | -141 | -3 | 112.4 | E128 F290 D291 V293 S322 | E128-R409 IonicContact OE1-CZ 3.86Å; E128-R409 IonicContact OE1-NH2 3.28Å; E128-R409 PolarHBondContact OE1-NH2 2.9Å; F290-R409 WeakPolarHBondContact CD2-O 3.44Å; F290-R409 PolarHBondContact N-O 2.93Å; F290-R409 WeakPolarHBondContact O-CG 3.49Å; F290-R409 PolarHBondContact O-NE 3.5Å; D291-R409 PolarHBondContact O-NE 3.37Å; D291-R409 PolarHBondContact O-NH2 3.43Å; V293-R409 HydrophobicContact CG2-CB 4.41Å; S322-R409 PolarHBondContact O-N 3.14Å |
| 410 | Y | 98.5 | Very high | 95.7 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.9 | 177.3 | -63.6 | -100.2 | 0 | 0 | 0 | 109.8 | L287 F288 K289 S322 G325 A408 | L287-Y410 HydrophobicContact CD1-CD1 4.5Å; F288-Y410 CarbonylContact O-C 3.52Å; F288-Y410 VanDerWaalsContact O-CA 3.26Å; F288-Y410 WeakPolarHBondContact O-CA 3.5Å; K289-Y410 HydrophobicContact CB-CD1 3.97Å; K289-Y410 HydrophobicContact CB-CE1 3.88Å; K289-Y410 HydrophobicContact CD-CE1 3.94Å; K289-Y410 HydrophobicContact CG-CD1 3.98Å; K289-Y410 HydrophobicContact CG-CE1 3.52Å; S322-Y410 PolarHBondContact N-O 3Å; S322-Y410 PolarHBondContact O-N 3.48Å; G325-Y410 VanDerWaalsContact CA-CG 3.47Å; G325-Y410 VanDerWaalsContact N-CD2 3.26Å; A408-Y410 WeakPolarHBondContact CB-O 3.42Å |
| 411 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.2 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | F288 F290 F296 V319 E320 F321 A408 F429 | F288-V411 PolarHBondContact N-O 3.38Å; F288-V411 PolarHBondContact O-N 2.96Å; F290-V411 HydrophobicContact CD2-CG2 4.45Å; F290-V411 HydrophobicContact CE2-CB 3.96Å; F290-V411 HydrophobicContact CE2-CG2 3.69Å; F290-V411 HydrophobicContact CZ-CG2 4.31Å; F296-V411 HydrophobicContact CD1-CG2 4.35Å; F296-V411 HydrophobicContact CD2-CG2 4.38Å; F296-V411 HydrophobicContact CE1-CG2 3.89Å; F296-V411 HydrophobicContact CE2-CG2 3.94Å; F296-V411 HydrophobicContact CZ-CG2 3.67Å; V319-V411 HydrophobicContact CG1-CG1 3.51Å; E320-V411 CarbonylContact O-C 3.59Å; E320-V411 WeakPolarHBondContact O-CA 3.43Å; F321-V411 HydrophobicContact CD1-CG2 4.08Å; F321-V411 HydrophobicContact CE1-CG2 4.17Å; A408-V411 HydrophobicContact CB-CG2 4.45Å; V411-F429 HydrophobicContact CB-CE1 4.32Å; V411-F429 HydrophobicContact CG1-CE1 4.02Å |
| 412 | S | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 108.5 | R285 V319 E320 | R285-S412 PolarHBondContact NE-OG 3.34Å; R285-S412 PolarHBondContact NH2-OG 3.03Å; R285-S412 VanDerWaalsContact NH2-OG 3.15Å; V319-S412 CarbonylContact C-O 3.58Å; V319-S412 WeakPolarHBondContact CA-O 3.32Å; E320-S412 PolarHBondContact N-O 3.35Å; E320-S412 PolarHBondContact O-N 2.94Å; E320-S412 WeakPolarHBondContact OE2-CB 3.46Å; E320-S412 PolarHBondContact OE2-OG 2.69Å |
| 413 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.6 | 174.3 | 177.8 | 61.6 | 0 | 0 | 0 | 108.7 | R285 I286 F288 L299 I301 V319 L415 | R285-L413 WeakPolarHBondContact CA-O 3.28Å; I286-L413 PolarHBondContact N-O 3.35Å; I286-L413 PolarHBondContact O-N 3.03Å; F288-L413 HydrophobicContact CE2-CB 4.06Å; F288-L413 HydrophobicContact CE2-CD2 4.25Å; L299-L413 HydrophobicContact CD2-CD1 3.93Å; L299-L413 HydrophobicContact CD2-CD2 4.37Å; I301-L413 HydrophobicContact CD1-CD1 4.07Å; I301-L413 HydrophobicContact CD1-CD2 3.9Å; I301-L413 HydrophobicContact CG1-CD2 4.3Å; V319-L413 HydrophobicContact CG2-CD1 4Å; L413-L415 HydrophobicContact CD1-CD2 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.45Å; L413-L415 HydrophobicContact CD2-CD2 4.36Å; L413-L415 HydrophobicContact CD2-CG 4.48Å; L413-L415 HydrophobicContact CG-CD2 3.98Å; L413-L415 HydrophobicContact CG-CG 4.14Å |
| 414 | T | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.5 | 176.6 | -61 | 0 | 0 | 0 | 0 | 109.7 | L284 A317 I318 | L284-T414 CarbonylContact O-C 3.58Å; L284-T414 VanDerWaalsContact O-CA 3.28Å; L284-T414 WeakPolarHBondContact O-CA 3.44Å; A317-T414 CarbonylContact C-O 3.56Å; A317-T414 VanDerWaalsContact CA-O 3.31Å; A317-T414 WeakPolarHBondContact CA-O 3.29Å; I318-T414 PolarHBondContact N-O 2.97Å; I318-T414 PolarHBondContact O-N 3.31Å |
| 415 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.2 | -177.6 | -57.5 | -178 | 0 | 0 | 0 | 110.6 | S283 L284 I301 F314 A317 L413 I422 L424 | S283-L415 CarbonylContact C-O 3.54Å; S283-L415 VanDerWaalsContact CA-O 3.22Å; S283-L415 WeakPolarHBondContact CA-O 3.36Å; L284-L415 PolarHBondContact N-O 3.4Å; L284-L415 PolarHBondContact O-N 2.91Å; I301-L415 HydrophobicContact CD1-CD2 4.1Å; F314-L415 HydrophobicContact CB-CB 4.23Å; F314-L415 HydrophobicContact CD1-CD1 4.05Å; F314-L415 HydrophobicContact CD1-CD2 4.03Å; F314-L415 HydrophobicContact CD1-CG 4.45Å; F314-L415 HydrophobicContact CD2-CD2 4.07Å; F314-L415 HydrophobicContact CE1-CD1 4.33Å; F314-L415 HydrophobicContact CE1-CD2 4.08Å; F314-L415 HydrophobicContact CE2-CD2 4.13Å; F314-L415 HydrophobicContact CG-CB 4.35Å; F314-L415 HydrophobicContact CG-CD2 4.02Å; F314-L415 HydrophobicContact CZ-CD2 4.13Å; A317-L415 HydrophobicContact CB-CD2 3.53Å; L413-L415 HydrophobicContact CD1-CD2 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.45Å; L413-L415 HydrophobicContact CD2-CD2 4.36Å; L413-L415 HydrophobicContact CD2-CG 4.48Å; L413-L415 HydrophobicContact CG-CD2 3.98Å; L413-L415 HydrophobicContact CG-CG 4.14Å; L415-I422 HydrophobicContact CB-CD1 3.96Å; L415-I422 HydrophobicContact CD1-CG2 4.32Å; L415-L424 HydrophobicContact CD1-CD1 4.04Å; L415-L424 HydrophobicContact CD1-CD2 4.18Å |
| 416 | T | 96.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 26.8 Ų | 26.8 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.9 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | S283 F314 S315 Q316 | S283-T416 PolarHBondContact OG-OG1 3.5Å; F314-T416 CarbonylContact C-O 3.54Å; F314-T416 WeakPolarHBondContact CA-O 3.45Å; F314-T416 VanDerWaalsContact CB-O 3.26Å; F314-T416 WeakPolarHBondContact CB-O 3.39Å; S315-T416 PolarHBondContact N-O 2.92Å; S315-T416 PolarHBondContact OG-O 2.76Å; S315-T416 VanDerWaalsContact OG-O 3.11Å; Q316-T416 PolarHBondContact O-N 3.27Å |
| 417 | S | 94.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | trans | -59.8 | 143.5 | -179.1 | 65 | 0 | 0 | 0 | 0 | 112.8 | V279 N281 K282 S315 D419 | V279-S417 VanDerWaalsContact O-CB 3.24Å; V279-S417 WeakPolarHBondContact O-CB 3.23Å; V279-S417 PolarHBondContact O-OG 3.33Å; V279-S417 VanDerWaalsContact O-OG 3.11Å; N281-S417 WeakPolarHBondContact CA-OG 3.06Å; N281-S417 PolarHBondContact N-OG 2.96Å; K282-S417 PolarHBondContact N-OG 3.2Å; K282-S417 PolarHBondContact O-N 2.91Å; K282-S417 PolarHBondContact O-OG 3.2Å; S315-S417 PolarHBondContact OG-O 3.34Å; S315-S417 VanDerWaalsContact OG-O 3.06Å; S417-D419 WeakPolarHBondContact CB-O 3.47Å | ||
| 418 | A | 93.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 17.1 Ų | 17.1 | 47% | 0.471 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -100.9 | -16.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R312 V313 | R312-A418 HydrophobicContact CB-CB 4.02Å; V313-A418 WeakPolarHBondContact O-CB 3.47Å |
| 419 | D | 91.7 | Very high | 95.3 | Very high | 52 Ų | 52 | 17.2 Ų | 17.2 | 28% | 0.278 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -141.2 | -129.2 | 171.5 | -169.7 | -24.5 | 0 | 0 | 0 | 107.5 | R312 S417 | R312-D419 HydrophobicContact CB-CB 4.25Å; R312-D419 HydrophobicContact CG-CB 3.69Å; S417-D419 WeakPolarHBondContact CB-O 3.47Å |
| 420 | S | 90.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 15.1 Ų | 15.1 | 14% | 0.14 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -98.6 | -39.2 | -170.5 | -51 | 0 | 0 | 0 | 0 | 112 | N278 V279 K310 | N278-S420 CarbonylContact C-O 3.58Å; N278-S420 WeakPolarHBondContact CA-O 3.46Å; N278-S420 PolarHBondContact OD1-O 2.93Å; V279-S420 PolarHBondContact N-O 2.8Å; K310-S420 WeakPolarHBondContact CD-OG 3.32Å; K310-S420 PolarHBondContact O-N 3.09Å |
| 421 | W | 92.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 13.4 Ų | 13.4 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.5 | -177.5 | -70.3 | 81.1 | 0 | 0 | 0 | 112.3 | D205 I207 F226 W277 N278 K310 S311 L423 | D205-W421 HydrophobicContact CB-CH2 3.54Å; D205-W421 HydrophobicContact CB-CZ3 3.65Å; I207-W421 HydrophobicContact CD1-CD2 4.21Å; I207-W421 HydrophobicContact CD1-CH2 4.11Å; I207-W421 HydrophobicContact CD1-CZ2 3.76Å; I207-W421 HydrophobicContact CD1-CZ3 4.47Å; I207-W421 HydrophobicContact CG1-CH2 3.4Å; I207-W421 VanDerWaalsContact CG1-CH2 3.4Å; I207-W421 HydrophobicContact CG1-CZ2 3.32Å; I207-W421 HydrophobicContact CG1-CZ3 4.07Å; F226-W421 HydrophobicContact CD2-CE3 4.49Å; F226-W421 HydrophobicContact CD2-CZ3 4.03Å; W277-W421 WeakPolarHBondContact O-CA 3.31Å; N278-W421 HydrophobicContact CB-CD2 4.11Å; N278-W421 HydrophobicContact CB-CE3 4.33Å; N278-W421 HydrophobicContact CB-CH2 3.87Å; N278-W421 HydrophobicContact CB-CZ2 3.58Å; N278-W421 HydrophobicContact CB-CZ3 4.24Å; K310-W421 PolarHBondContact O-N 3.29Å; S311-W421 WeakPolarHBondContact CA-O 3.09Å; W421-L423 HydrophobicContact CE3-CD2 4.32Å |
| 422 | I | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.9 | 156.6 | -61.1 | 177.8 | 0 | 0 | 0 | 106 | G276 W277 V279 L284 L415 L424 | G276-I422 VanDerWaalsContact CA-O 3.29Å; G276-I422 WeakPolarHBondContact CA-O 3.19Å; W277-I422 PolarHBondContact N-O 3.45Å; W277-I422 PolarHBondContact O-N 2.97Å; V279-I422 HydrophobicContact CG2-CD1 3.87Å; V279-I422 HydrophobicContact CG2-CG1 4.02Å; L284-I422 HydrophobicContact CB-CD1 4.2Å; L284-I422 HydrophobicContact CD2-CG2 4.37Å; L415-I422 HydrophobicContact CB-CD1 3.96Å; L415-I422 HydrophobicContact CD1-CG2 4.32Å; I422-L424 HydrophobicContact CG2-CD2 4.32Å; I422-L424 HydrophobicContact CG2-CG 4.26Å |
| 423 | L | 93.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132 | 171.3 | -63.7 | 179.1 | 0 | 0 | 0 | 109.1 | F226 V259 F274 T303 F304 L309 S311 W421 | F226-L423 HydrophobicContact CD1-CD2 4.36Å; F226-L423 HydrophobicContact CD2-CD2 4Å; F226-L423 HydrophobicContact CE1-CD2 4.47Å; F226-L423 HydrophobicContact CE2-CD2 4.12Å; F226-L423 HydrophobicContact CG-CD2 4.12Å; F226-L423 HydrophobicContact CZ-CD2 4.36Å; V259-L423 HydrophobicContact CG1-CD1 4.37Å; V259-L423 HydrophobicContact CG2-CD1 4.16Å; F274-L423 HydrophobicContact CD1-CB 4.43Å; T303-L423 VanDerWaalsContact CA-O 3.28Å; T303-L423 WeakPolarHBondContact CA-O 3.45Å; T303-L423 WeakPolarHBondContact CB-O 3.34Å; T303-L423 PolarHBondContact OG1-O 3.32Å; F304-L423 HydrophobicContact CB-CB 4.1Å; F304-L423 HydrophobicContact CB-CD1 4.29Å; F304-L423 HydrophobicContact CD1-CD1 4.37Å; L309-L423 HydrophobicContact CD1-CD1 3.94Å; S311-L423 WeakPolarHBondContact OG-CG 3.47Å; W421-L423 HydrophobicContact CE3-CD2 4.32Å |
| 424 | L | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.3 | 174.8 | -61.2 | -177.7 | 0 | 0 | 0 | 109.5 | L249 F274 I275 W277 I286 I301 F302 L415 I422 | L249-L424 HydrophobicContact CD2-CB 3.78Å; L249-L424 HydrophobicContact CD2-CD1 4.45Å; F274-L424 CarbonylContact C-O 3.56Å; F274-L424 VanDerWaalsContact CA-O 3.31Å; F274-L424 WeakPolarHBondContact CA-O 3.22Å; I275-L424 PolarHBondContact N-O 2.83Å; I275-L424 PolarHBondContact O-N 3.3Å; W277-L424 HydrophobicContact CH2-CD1 4.13Å; W277-L424 HydrophobicContact CZ3-CB 4.18Å; W277-L424 HydrophobicContact CZ3-CD1 3.86Å; W277-L424 HydrophobicContact CZ3-CG 3.93Å; I286-L424 HydrophobicContact CD1-CD1 3.83Å; I301-L424 HydrophobicContact CG2-CD2 3.39Å; F302-L424 CarbonylContact O-C 3.54Å; F302-L424 VanDerWaalsContact O-CA 3.24Å; F302-L424 WeakPolarHBondContact O-CA 3.22Å; L415-L424 HydrophobicContact CD1-CD1 4.04Å; L415-L424 HydrophobicContact CD1-CD2 4.18Å; I422-L424 HydrophobicContact CG2-CD2 4.32Å; I422-L424 HydrophobicContact CG2-CG 4.26Å |
| 425 | S | 92.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -31.8 | 169.7 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | Y255 H273 F302 | Y255-S425 PolarHBondContact O-OG 2.83Å; H273-S425 VanDerWaalsContact O-CA 3.24Å; H273-S425 WeakPolarHBondContact O-CA 3.27Å; H273-S425 WeakPolarHBondContact O-CB 3.35Å; F302-S425 WeakPolarHBondContact CB-OG 3.37Å; F302-S425 PolarHBondContact O-N 3.16Å |
| 426 | E | 93.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 150.5 | -172.8 | 162.6 | 93.3 | 157.9 | 0 | 0 | 109.8 | R19 M250 N252 A254 F302 | R19-E426 VanDerWaalsContact CD-OE1 3.3Å; R19-E426 WeakPolarHBondContact CD-OE1 3.41Å; R19-E426 IonicContact CZ-OE1 2.68Å; R19-E426 IonicContact NE-OE1 3.72Å; R19-E426 VanDerWaalsContact NH1-CD 3.3Å; R19-E426 IonicContact NH1-OE1 3.99Å; R19-E426 PolarHBondContact NH1-OE1 3.48Å; M250-E426 WeakPolarHBondContact CA-OE2 3.21Å; N252-E426 WeakPolarHBondContact CA-OE1 3.31Å; N252-E426 PolarHBondContact N-OE2 3.03Å; N252-E426 VanDerWaalsContact N-OE2 3.16Å; A254-E426 HydrophobicContact CB-CB 4.23Å; A254-E426 HydrophobicContact CB-CG 4.18Å; F302-E426 HydrophobicContact CB-CB 4.23Å; F302-E426 WeakPolarHBondContact CB-O 3.47Å; F302-E426 HydrophobicContact CD2-CB 4.3Å; F302-E426 HydrophobicContact CD2-CG 4.18Å; F302-E426 HydrophobicContact CG-CB 4.29Å; F302-E426 PolarHBondContact N-O 3.47Å |
| 427 | V | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.9 | 173 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | L249 M250 F288 L299 R300 F429 | L249-V427 HydrophobicContact CD1-CG2 4.41Å; L249-V427 PolarHBondContact O-N 3.43Å; M250-V427 VanDerWaalsContact CE-O 3.24Å; M250-V427 WeakPolarHBondContact CE-O 3.49Å; M250-V427 HydrophobicContact SD-CB 4.21Å; F288-V427 HydrophobicContact CE1-CB 4.42Å; F288-V427 HydrophobicContact CE1-CG1 4.35Å; F288-V427 HydrophobicContact CE2-CG1 4.46Å; F288-V427 HydrophobicContact CZ-CB 4.09Å; F288-V427 HydrophobicContact CZ-CG1 3.83Å; F288-V427 HydrophobicContact CZ-CG2 4.2Å; L299-V427 HydrophobicContact CD1-CG1 3.44Å; L299-V427 VanDerWaalsContact CD1-CG1 3.44Å; R300-V427 WeakPolarHBondContact O-CA 3.36Å; V427-F429 HydrophobicContact CG1-CE2 3.79Å; V427-F429 HydrophobicContact CG1-CZ 4.1Å |
| 428 | Q | 94.4 | Very high | 86.5 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.8 | 175.2 | 164.4 | 170.1 | 73 | 0 | 0 | 112.5 | R19 D194 W298 L299 R300 | R19-Q428 VanDerWaalsContact CZ-CB 3.49Å; R19-Q428 VanDerWaalsContact CZ-CD 3.47Å; R19-Q428 VanDerWaalsContact CZ-OE1 3.22Å; R19-Q428 VanDerWaalsContact NH1-CB 3.34Å; R19-Q428 VanDerWaalsContact NH2-CB 3.31Å; R19-Q428 VanDerWaalsContact NH2-CD 3.27Å; D194-Q428 PolarHBondContact OD1-NE2 2.83Å; D194-Q428 WeakPolarHBondContact OD2-CA 3.28Å; D194-Q428 WeakPolarHBondContact OD2-CG 3.16Å; W298-Q428 HydrophobicContact CH2-CG 4.16Å; W298-Q428 VanDerWaalsContact CH2-OE1 3.31Å; W298-Q428 HydrophobicContact CZ3-CG 3.8Å; L299-Q428 CarbonylContact C-O 3.51Å; L299-Q428 VanDerWaalsContact CA-O 3.32Å; L299-Q428 WeakPolarHBondContact CA-O 3.32Å; L299-Q428 WeakPolarHBondContact CD1-O 3.35Å; R300-Q428 PolarHBondContact N-O 2.8Å; R300-Q428 PolarHBondContact O-N 3.25Å |
| 429 | F | 96.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.3 | 174.1 | -61.1 | -92.5 | 0 | 0 | 0 | 110.5 | D194 V196 F288 F290 F296 L299 L403 V411 V427 | D194-F429 PolarHBondContact OD2-N 2.86Å; V196-F429 HydrophobicContact CG2-CD2 3.97Å; V196-F429 HydrophobicContact CG2-CE2 4.22Å; F288-F429 HydrophobicContact CB-CE2 4.46Å; F288-F429 HydrophobicContact CB-CZ 4.34Å; F288-F429 AromaticContact CD1-CE2 3.67Å; F288-F429 HydrophobicContact CD1-CE2 3.67Å; F288-F429 HydrophobicContact CD1-CZ 4.09Å; F288-F429 HydrophobicContact CD2-CE2 4.06Å; F288-F429 AromaticContact CD2-CZ 3.6Å; F288-F429 HydrophobicContact CD2-CZ 3.6Å; F288-F429 AromaticContact CE1-CE2 3.83Å; F288-F429 HydrophobicContact CE1-CE2 3.83Å; F288-F429 HydrophobicContact CE1-CZ 4.3Å; F288-F429 HydrophobicContact CE2-CE2 4.18Å; F288-F429 AromaticContact CE2-CZ 3.82Å; F288-F429 HydrophobicContact CE2-CZ 3.82Å; F288-F429 AromaticContact CG-CE2 3.8Å; F288-F429 HydrophobicContact CG-CE2 3.8Å; F288-F429 AromaticContact CG-CZ 3.74Å; F288-F429 HydrophobicContact CG-CZ 3.74Å; F288-F429 HydrophobicContact CZ-CE2 4.08Å; F288-F429 HydrophobicContact CZ-CZ 4.17Å; F290-F429 HydrophobicContact CE1-CB 4.12Å; F290-F429 HydrophobicContact CE1-CD2 4.03Å; F290-F429 AromaticContact CE1-CG 3.97Å; F290-F429 HydrophobicContact CE1-CG 3.97Å; F290-F429 HydrophobicContact CZ-CB 4.35Å; F290-F429 AromaticContact CZ-CD1 3.91Å; F290-F429 HydrophobicContact CZ-CD1 3.91Å; F290-F429 AromaticContact CZ-CD2 3.77Å; F290-F429 HydrophobicContact CZ-CD2 3.77Å; F290-F429 HydrophobicContact CZ-CE1 4.11Å; F290-F429 AromaticContact CZ-CE2 3.99Å; F290-F429 HydrophobicContact CZ-CE2 3.99Å; F290-F429 AromaticContact CZ-CG 3.73Å; F290-F429 HydrophobicContact CZ-CG 3.73Å; F290-F429 HydrophobicContact CZ-CZ 4.15Å; F296-F429 HydrophobicContact CD1-CB 4.41Å; F296-F429 HydrophobicContact CD1-CD1 4.01Å; F296-F429 HydrophobicContact CE1-CB 4.23Å; F296-F429 AromaticContact CE1-CD1 3.93Å; F296-F429 HydrophobicContact CE1-CD1 3.93Å; F296-F429 HydrophobicContact CE1-CG 4.31Å; L299-F429 HydrophobicContact CB-CD1 4.45Å; L299-F429 HydrophobicContact CD1-CD1 4.06Å; L299-F429 HydrophobicContact CD1-CE1 3.72Å; L299-F429 HydrophobicContact CD1-CE2 4.28Å; L299-F429 HydrophobicContact CD1-CG 4.48Å; L299-F429 HydrophobicContact CD1-CZ 3.83Å; L299-F429 HydrophobicContact CD2-CE1 4.31Å; L299-F429 HydrophobicContact CG-CE1 4.41Å; L403-F429 HydrophobicContact CD1-CD1 4.39Å; V411-F429 HydrophobicContact CB-CE1 4.32Å; V411-F429 HydrophobicContact CG1-CE1 4.02Å; V427-F429 HydrophobicContact CG1-CE2 3.79Å; V427-F429 HydrophobicContact CG1-CZ 4.1Å |
| 430 | N | 94.5 | Very high | 80.6 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.7 | 161.7 | -170.2 | -31.6 | 0 | 0 | 0 | 109 | I297 W298 D356 | I297-N430 HydrophobicContact CB-CB 4.46Å; I297-N430 PolarHBondContact N-O 3.41Å; W298-N430 HydrophobicContact CD2-CB 3.47Å; W298-N430 VanDerWaalsContact CD2-CB 3.47Å; W298-N430 HydrophobicContact CE3-CB 3.85Å; W298-N430 HydrophobicContact CG-CB 4Å; W298-N430 HydrophobicContact CH2-CB 3.88Å; W298-N430 HydrophobicContact CZ2-CB 3.54Å; W298-N430 WeakPolarHBondContact CZ2-ND2 3.22Å; W298-N430 HydrophobicContact CZ3-CB 4.03Å; W298-N430 PolarHBondContact N-O 2.86Å; W298-N430 PolarHBondContact NE1-ND2 3.31Å; W298-N430 PolarHBondContact O-N 3.12Å; D356-N430 PolarHBondContact OD1-ND2 2.92Å |
| 431 | S | 95.8 | Very high | 77.8 | Confident | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153 | -176.5 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | R294 T295 | R294-S431 WeakPolarHBondContact CD-OG 3.48Å; R294-S431 PolarHBondContact NH1-OG 3.43Å; T295-S431 CarbonylContact O-C 3.22Å; T295-S431 WeakPolarHBondContact O-CA 3.03Å; T295-S431 WeakPolarHBondContact O-CB 3.45Å |
| 432 | T | 95.8 | Very high | 74.7 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.7 | 174.9 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | R294 T295 I297 V434 | R294-T432 CarbonylContact C-O 3.57Å; R294-T432 VanDerWaalsContact CA-O 3.3Å; R294-T432 WeakPolarHBondContact CA-O 3.48Å; T295-T432 PolarHBondContact N-O 2.87Å; T295-T432 PolarHBondContact O-N 3.28Å; I297-T432 HydrophobicContact CD1-CG2 4.43Å; T432-V434 PolarHBondContact O-N 3.37Å |
| 433 | I | 94.5 | Very high | 71.7 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 43% | 0.431 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 130.7 | 175.4 | -62.6 | 172.9 | 0 | 0 | 0 | 108.9 | E292 R294 Q435 | E292-I433 HydrophobicContact CB-CG1 4.33Å; E292-I433 HydrophobicContact CB-CG2 3.91Å; E292-I433 HydrophobicContact CG-CD1 4.39Å; E292-I433 HydrophobicContact CG-CG2 4.22Å; R294-I433 HydrophobicContact CG-CG1 4.22Å; I433-Q435 PolarHBondContact O-N 2.85Å; I433-Q435 VanDerWaalsContact O-N 3.09Å |
| 434 | V | 91.5 | Very high | 68.5 | Low | 45 Ų | 45 | 79 Ų | 79 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -72.3 | 102 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 107.4 | V293 T295 R407 T432 | V293-V434 HydrophobicContact CB-CB 4.43Å; V293-V434 HydrophobicContact CG1-CB 4.23Å; V293-V434 HydrophobicContact CG1-CG2 4Å; V293-V434 WeakPolarHBondContact O-CB 3.28Å; V293-V434 PolarHBondContact O-N 2.8Å; T295-V434 WeakPolarHBondContact OG1-CG2 3.13Å; R407-V434 HydrophobicContact CG-CG2 3.96Å; T432-V434 PolarHBondContact O-N 3.37Å | ||
| 435 | Q | 78.3 | Confident | 65.4 | Low | 165 Ų | 165 | 86.5 Ų | 86.5 | 77% | 0.771 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 133.1 | 169.8 | -69.2 | -172.9 | -4.4 | 0 | 0 | 109.1 | I433 Q437 | I433-Q435 PolarHBondContact O-N 2.85Å; I433-Q435 VanDerWaalsContact O-N 3.09Å; Q435-Q437 PolarHBondContact O-N 2.94Å; Q435-Q437 VanDerWaalsContact O-N 3.13Å |
| 436 | P | 59.7 | Low | 62.3 | Low | 121 Ų | 121 | 94.8 Ų | 94.8 | 79% | 0.786 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 120.9 | 169 | 26.2 | -32.5 | 0 | 0 | 0 | 107.2 | S438 | P436-S438 PolarHBondContact O-N 2.99Å; P436-S438 VanDerWaalsContact O-N 3.16Å |
| 437 | Q | 49.6 | Very low | 59.4 | Low | 185 Ų | 185 | 103 Ų | 103 | 86% | 0.864 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.4 | 177.6 | -69.2 | -175.6 | -72.9 | 0 | 0 | 108.3 | Q435 L439 | Q435-Q437 PolarHBondContact O-N 2.94Å; Q435-Q437 VanDerWaalsContact O-N 3.13Å; Q437-L439 PolarHBondContact O-N 2.04Å; Q437-L439 VanDerWaalsContact O-N 3.12Å |
| 438 | S | 33.8 | Very low | 56.4 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.2 | 169.3 | 42.3 | 0 | 0 | 0 | 0 | 107.9 | P436 L440 | P436-S438 PolarHBondContact O-N 2.99Å; P436-S438 VanDerWaalsContact O-N 3.16Å; S438-L440 PolarHBondContact O-N 2.81Å |
| 439 | L | 29.9 | Very low | 53.2 | Low | 173 Ų | 173 | 116.2 Ų | 116.2 | 91% | 0.906 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 64.3 | 178.5 | -76.5 | 167.9 | 0 | 0 | 0 | 110.3 | Q437 P441 | Q437-L439 PolarHBondContact O-N 2.04Å; Q437-L439 VanDerWaalsContact O-N 3.12Å; L439-P441 WeakPolarHBondContact O-CD 3.38Å | ||
| 440 | L | 30.9 | Very low | 50.2 | Low | 142 Ų | 142 | 123.1 Ų | 123.1 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -66.3 | 118.3 | 156 | -66.8 | 174.4 | 0 | 0 | 0 | 106.5 | S438 L442 | S438-L440 PolarHBondContact O-N 2.81Å; L440-L442 PolarHBondContact O-N 2.86Å | ||
| 441 | P | 31.6 | Very low | 47 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | -66.9 | 112.8 | -178.1 | 26.3 | -33 | 0 | 0 | 0 | 109.4 | L439 S443 | L439-P441 WeakPolarHBondContact O-CD 3.38Å; P441-S443 VanDerWaalsContact C-N 3.35Å; P441-S443 PolarHBondContact O-N 2.83Å | ||
| 442 | L | 27.1 | Very low | 44 | Very low | 178 Ų | 178 | 133 Ų | 133 | 93% | 0.932 | 74% | 0.74 | S | S | * | * | trans | -63.8 | 100.1 | 163.3 | -87.4 | 165.1 | 0 | 0 | 0 | 107.6 | L440 S444 | L440-L442 PolarHBondContact O-N 2.86Å; L442-S444 PolarHBondContact O-N 2.81Å | ||
| 443 | S | 31.4 | Very low | 41 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -55 | 126.5 | -179.3 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | P441 N445 | P441-S443 VanDerWaalsContact C-N 3.35Å; P441-S443 PolarHBondContact O-N 2.83Å; S443-N445 PolarHBondContact O-N 3.42Å; S443-N445 VanDerWaalsContact O-N 3.13Å | ||
| 444 | S | 26.3 | Very low | 37.9 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -61.6 | 109.6 | 177.8 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | L442 E446 | L442-S444 PolarHBondContact O-N 2.81Å; S444-E446 PolarHBondContact O-N 2.65Å | ||
| 445 | N | 30.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -92.3 | 80.5 | 157.5 | -75.9 | 2.7 | 0 | 0 | 0 | 108.3 | S443 | S443-N445 PolarHBondContact O-N 3.42Å; S443-N445 VanDerWaalsContact O-N 3.13Å | ||
| 446 | E | 28.5 | Very low | 33 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 124.4 | 151.9 | -64.7 | -173.6 | 119.8 | 0 | 0 | 107.6 | S444 | S444-E446 PolarHBondContact O-N 2.65Š| ||
| 447 | E | 31 | Very low | 31.6 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -150.1 | 93.7 | 151 | -131.5 | 167.9 | -157.6 | 0 | 0 | 112.7 | ||||
| 448 | I | 32.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | 42.5 | 94.5 | 136 | -51.2 | 175.1 | 0 | 0 | 0 | 116.1 | N450 | I448-N450 HydrophobicContact CG2-CB 4.03Å; I448-N450 PolarHBondContact O-N 2.87Å | ||
| 449 | N | 27.6 | Very low | 30.6 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 102.2 | 157.6 | -127.8 | -23.3 | 0 | 0 | 0 | 109 | ||||
| 450 | N | 33.4 | Very low | 30.8 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -136.6 | 106.1 | 167.4 | -105.7 | -32.6 | 0 | 0 | 0 | 109.7 | I448 | I448-N450 HydrophobicContact CG2-CB 4.03Å; I448-N450 PolarHBondContact O-N 2.87Å | ||
| 451 | G | 27.8 | Very low | 30.8 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -86.5 | 145.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 452 | N | 32.4 | Very low | 30.7 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -142.7 | 160 | 156.9 | -104.1 | -43.4 | 0 | 0 | 0 | 110.5 | ||||
| 453 | K | 32.5 | Very low | 30.9 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -100.5 | 162.1 | -163.6 | -66.7 | 177.5 | 175.9 | 177.9 | 0 | 113.8 | ||||
| 454 | S | 30.3 | Very low | 30.9 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 70.5 | 158.3 | 162.1 | 73.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 455 | L | 32.3 | Very low | 31.1 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | cis | -138.2 | 175.3 | 9 | -163.8 | 64.2 | 0 | 0 | 0 | 111.8 | ||||
| 456 | D | 33.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 160.7 | -164.4 | -42.8 | -88.4 | 0 | 0 | 0 | 117.8 | ||||
| 457 | N | 30.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 80.2 | 151.9 | 142.7 | -66.7 | -27 | 0 | 0 | 0 | 123.6 | ||||
| 458 | A | 31.9 | Very low | 31.4 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 84.8 | 92.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 459 | D | 31.8 | Very low | 31.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | 70 | 138.6 | 118.4 | -52.8 | -15.8 | 0 | 0 | 0 | 124.7 | |||||
| 460 | D | 32.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 69.3 | 95.6 | 142.2 | -75.4 | -2.3 | 0 | 0 | 0 | 124.7 | ||||
| 461 | T | 31.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | 84.4 | 123 | 121.8 | 63.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 462 | S | 31.1 | Very low | 31.2 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | 106.6 | 110.9 | 130.9 | 76.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 463 | N | 30.8 | Very low | 31 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 79.8 | 110.9 | 130.9 | -61.1 | -8.4 | 0 | 0 | 0 | 122.4 | ||||
| 464 | H | 31.3 | Very low | 30.7 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 85.6 | 100.7 | 130.3 | -92.1 | -90.5 | 0 | 0 | 0 | 122 | ||||
| 465 | L | 31 | Very low | 30.7 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | 125.1 | 129.8 | 100.4 | -159.7 | 67 | 0 | 0 | 0 | 118.1 | |||||
| 466 | D | 31.2 | Very low | 30.5 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 64% | 0.642 | 73% | 0.733 | S | S | * | * | trans | 54.9 | 109.2 | 155.9 | -77.2 | -43 | 0 | 0 | 0 | 126 | ||||
| 467 | N | 31.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | 62.2 | 108.5 | 111.3 | -88.7 | -56.1 | 0 | 0 | 0 | 123.9 | |||||
| 468 | S | 32.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | 78.8 | 94.8 | 112.1 | -64 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 469 | Q | 30.8 | Very low | 29.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | 63.7 | 114.9 | 117.1 | -68.2 | -163.9 | 4.2 | 0 | 0 | 124.2 | |||||
| 470 | K | 30.7 | Very low | 29.6 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | 65.4 | 116.1 | 122.3 | -71.6 | -168.1 | 172.1 | -175.1 | 0 | 123.8 | |||||
| 471 | K | 29.7 | Very low | 29.2 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 81% | 0.809 | 73% | 0.733 | S | S | * | * | trans | -64.7 | 166.1 | 146.5 | -85.2 | -170.4 | 171.7 | -177.7 | 0 | 113.9 | ||||
| 472 | L | 27 | Very low | 29 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 60% | 0.602 | 74% | 0.738 | S | S | * | * | cis | 178.4 | 149 | -13.4 | -177.2 | 68 | 0 | 0 | 0 | 113.7 | ||||
| 473 | F | 28.2 | Very low | 28.7 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | 64.8 | -176.7 | 157.3 | -68.9 | -32.4 | 0 | 0 | 0 | 123.3 | ||||
| 474 | N | 26.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | -162.6 | -177.8 | -124.7 | -163.3 | 23.1 | 0 | 0 | 0 | 112.4 | |||||
| 475 | T | 29.8 | Very low | 28.9 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | 67.6 | 146.8 | 162.5 | 51.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 476 | D | 28.2 | Very low | 28.6 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -162.2 | 165.9 | -1.6 | -111.9 | -21.5 | 0 | 0 | 0 | 116 | ||||
| 477 | E | 30.1 | Very low | 28.4 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 62.8 | 124.7 | 149.2 | -70.1 | -140.1 | 160.5 | 0 | 0 | 128 | ||||
| 478 | N | 27 | Very low | 28.1 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | 67.5 | 99.4 | 126.5 | -69.1 | -31.1 | 0 | 0 | 0 | 127 | |||||
| 479 | S | 26.3 | Very low | 27.9 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | 109.9 | 145.1 | 107.5 | 82.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 480 | F | 25.9 | Very low | 27.7 | Very low | 185 Ų | 185 | 144 Ų | 144 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 68.6 | 106.6 | 153.2 | -79.8 | -65.4 | 0 | 0 | 0 | 125.6 | ||||
| 481 | R | 23 | Very low | 27.6 | Very low | 219 Ų | 219 | 143 Ų | 143 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | 87.4 | 150.4 | 121.5 | -130.7 | 177.8 | -171 | -171.8 | 1.2 | 121.9 | |||||
| 482 | A | 26.6 | Very low | 27.4 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 104.2 | 152.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 483 | S | 25.2 | Very low | 27.2 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -118.1 | 173.6 | -166.3 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 484 | P | 38.8 | Very low | 27.1 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -92.8 | 163.4 | -154.3 | 37 | -37.8 | 0 | 0 | 0 | 116.5 | ||||
| 485 | I | 27.7 | Very low | 27 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -133.7 | 155.4 | 164.6 | -67.9 | -175.1 | 0 | 0 | 0 | 110 | ||||
| 486 | I | 25.2 | Very low | 27 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -84.7 | 157.6 | -169.4 | -65.3 | 154 | 0 | 0 | 0 | 113 | ||||
| 487 | G | 25.9 | Very low | 26.8 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -159.9 | 102.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 488 | D | 24.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -81.8 | 156.7 | 174.6 | -72.5 | -58.2 | 0 | 0 | 0 | 112.8 | ||||
| 489 | H | 29 | Very low | 26.9 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -166.3 | 163.7 | 133.8 | -102.7 | -59 | 0 | 0 | 0 | 111.6 | ||||
| 490 | S | 27 | Very low | 26.8 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -124.7 | 159.2 | -150.2 | -48 | 0 | 0 | 0 | 0 | 116 | ||||
| 491 | E | 27 | Very low | 27.2 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 87.7 | 147 | 132.2 | -101 | -174.7 | 140.8 | 0 | 0 | 125 | ||||
| 492 | M | 25.9 | Very low | 27.5 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 72.6 | 102.7 | 149.4 | -67.9 | -161.2 | 85.7 | 0 | 0 | 124 | ||||
| 493 | L | 23.5 | Very low | 27.4 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | 68.7 | 112.6 | 118.9 | -96.3 | 77.6 | 0 | 0 | 0 | 123.2 | |||||
| 494 | N | 25 | Very low | 27.8 | Very low | 119 Ų | 119 | 145 Ų | 145 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 83.7 | 126.6 | 112.9 | -143.7 | 9.4 | 0 | 0 | 0 | 121.2 | |||||
| 495 | K | 25.7 | Very low | 27.3 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | trans | 69.5 | 153.4 | 157.7 | -75.8 | 165.4 | -173.4 | -177.9 | 0 | 117.2 | ||||
| 496 | Q | 28.6 | Very low | 27.2 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -152.9 | 156.8 | 10.6 | -135.8 | 177.5 | -60.5 | 0 | 0 | 114.6 | ||||
| 497 | D | 25.4 | Very low | 27.8 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | trans | 19 | 134.4 | 154.9 | -51.2 | -29.4 | 0 | 0 | 0 | 123.1 | ||||
| 498 | L | 28.9 | Very low | 27.7 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | -176.9 | 146.1 | 101.4 | -100.7 | 157.2 | 0 | 0 | 0 | 116.4 | |||||
| 499 | R | 28.6 | Very low | 27.7 | Very low | 231 Ų | 231 | 148 Ų | 148 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 74.8 | 85.5 | 161.3 | -64.6 | -174.4 | -177.6 | -163.2 | 0.1 | 121.2 | ||||
| 500 | N | 25.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -67.6 | 161.9 | 135.7 | -152.8 | -5.9 | 0 | 0 | 0 | 109.2 | N502 | N500-N502 PolarHBondContact OD1-N 3.09Å; N500-N502 VanDerWaalsContact OD1-N 3.08Å | ||
| 501 | P | 33.6 | Very low | 27.6 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | -146.8 | 143 | 73.4 | 37.2 | -18.4 | 0 | 0 | 0 | 116.7 | |||||
| 502 | N | 28.7 | Very low | 27.9 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | -166.8 | 133.2 | 111.7 | -97.1 | -23.3 | 0 | 0 | 0 | 114.5 | N500 | N500-N502 PolarHBondContact OD1-N 3.09Å; N500-N502 VanDerWaalsContact OD1-N 3.08Å | |||
| 503 | K | 25.2 | Very low | 28 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -169.9 | 174.7 | 177.2 | -131.2 | -168 | 171.1 | -177.9 | 0 | 105 | ||||
| 504 | P | 34.4 | Very low | 28.1 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -131.4 | -174.1 | -14.2 | 42.7 | -27.7 | 0 | 0 | 0 | 113 | ||||
| 505 | M | 28.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 94% | 0.941 | 77% | 0.767 | S | S | * | * | -157.4 | 172 | 122.9 | -116.5 | 176.6 | 176.5 | 0 | 0 | 112 | |||||
| 506 | N | 24.4 | Very low | 28.5 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -154 | -173.2 | -171.3 | -158.9 | 39 | 0 | 0 | 0 | 107.6 | ||||
| 507 | P | 37.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 142 Ų | 142 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | -103.6 | -160.9 | -88.9 | 40.2 | -27.2 | 0 | 0 | 0 | 113.7 | |||||
| 508 | E | 23.4 | Very low | 28.5 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 97.8 | 130.4 | 153 | -85.8 | -176 | -178.8 | 0 | 0 | 122.4 | ||||
| 509 | I | 25.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 64% | 0.641 | 78% | 0.783 | S | S | * | * | trans | 56.9 | 107.6 | 148.7 | -52.4 | 160 | 0 | 0 | 0 | 118.7 | ||||
| 510 | H | 28.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | -169 | 158.6 | 108.9 | -107.4 | -68.1 | 0 | 0 | 0 | 114.1 | |||||
| 511 | S | 26 | Very low | 28.3 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -81.7 | 153.8 | -177.8 | -26.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 512 | P | 33.3 | Very low | 27.8 | Very low | 129 Ų | 129 | 143 Ų | 143 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -87.6 | 128.9 | 157.5 | 33.3 | -29 | 0 | 0 | 0 | 111.2 | ||||
| 513 | M | 26.9 | Very low | 27.8 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -133.1 | 133.7 | 168.5 | -97.5 | -168.3 | 72.1 | 0 | 0 | 110.3 | ||||
| 514 | S | 27.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 65.1 | 152.5 | 175.5 | -116.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 515 | V | 29.9 | Very low | 27.5 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | cis | -128.7 | 141.5 | 8.2 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 516 | G | 29.1 | Very low | 27.4 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -174.7 | 12.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 517 | N | 29.3 | Very low | 27.5 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 41.5 | 120.1 | 172.9 | -72 | 1 | 0 | 0 | 0 | 120.4 | ||||
| 518 | E | 24.9 | Very low | 27 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -60.2 | 150.1 | 169.1 | -48.2 | 166.9 | 143.9 | 0 | 0 | 113.4 | ||||
| 519 | K | 27.9 | Very low | 27.1 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -178.1 | 134 | 102.6 | -98.5 | 163.4 | -174 | 175.7 | 0 | 113.7 | |||||
| 520 | S | 22.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -129.2 | 141.3 | 146.1 | 70.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 521 | L | 27.8 | Very low | 27.4 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -168.2 | 160.2 | 141.2 | -132 | 76.2 | 0 | 0 | 0 | 110.3 | ||||
| 522 | T | 24.1 | Very low | 27.6 | Very low | 129 Ų | 129 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -108.9 | 141.6 | -177.6 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 523 | S | 27.7 | Very low | 27.4 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -169.9 | 165.7 | 141.9 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 524 | N | 25.6 | Very low | 27.6 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -109.3 | -178.6 | -168.8 | -68.8 | -23.9 | 0 | 0 | 0 | 113.5 | ||||
| 525 | H | 28.4 | Very low | 27.7 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | 77.1 | 136.8 | 166.9 | -73.3 | -96.3 | 0 | 0 | 0 | 117.9 | ||||
| 526 | E | 25.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | 169.5 | -175.1 | -3.2 | -174.2 | 169.1 | -140.5 | 0 | 0 | 105.6 | ||||
| 527 | I | 26.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 146 Ų | 146 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | 72.6 | 102.6 | 160.8 | -47.6 | 179.3 | 0 | 0 | 0 | 116.7 | ||||
| 528 | R | 27.7 | Very low | 27.8 | Very low | 244 Ų | 244 | 143.9 Ų | 143.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | -158.3 | 157.8 | 93.3 | -141.4 | 158 | -171 | 161.8 | 2.8 | 112.9 | |||||
| 529 | S | 26.1 | Very low | 28 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -120.1 | 159.9 | -164.5 | -30.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 530 | A | 31.8 | Very low | 27.9 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 166.2 | 157 | 138.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 531 | E | 28.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | cis | -167.7 | -178.7 | -37 | -159.8 | 147 | -147.6 | 0 | 0 | 107.4 | ||||
| 532 | E | 29.9 | Very low | 28.3 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | 71.4 | 147 | 167.4 | -58.6 | -149.8 | 165.7 | 0 | 0 | 118.8 | ||||
| 533 | N | 29.5 | Very low | 28.3 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 60% | 0.599 | 72% | 0.722 | S | S | * | * | cis | -157.9 | 157.7 | -14.1 | -120.7 | -35.1 | 0 | 0 | 0 | 113.7 | ||||
| 534 | L | 29.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | 55.5 | 140 | 160.7 | -89.8 | 62.4 | 0 | 0 | 0 | 120.6 | ||||
| 535 | G | 29.6 | Very low | 28.3 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | cis | 169.9 | 166.8 | -7.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 536 | N | 29.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | trans | 33.3 | 141.7 | 155.5 | -65.4 | 1.4 | 0 | 0 | 0 | 121.3 | ||||
| 537 | H | 32.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | cis | -146.6 | 141.2 | 33.1 | -96.6 | -58.5 | 0 | 0 | 0 | 110.7 | ||||
| 538 | N | 29.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | 63.3 | 140.5 | 87.7 | -65.2 | 21.5 | 0 | 0 | 0 | 115.9 | |||||
| 539 | E | 28.6 | Very low | 28.1 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 58% | 0.584 | 71% | 0.708 | S | S | * | * | cis | -169.3 | 152.9 | -11.2 | -114.1 | -172.4 | 159.6 | 0 | 0 | 110.8 | ||||
| 540 | K | 26.9 | Very low | 28.1 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | trans | 65.2 | 157.2 | 144.5 | -70 | 167.1 | -179.4 | 153.6 | 0 | 119 | ||||
| 541 | Y | 28.1 | Very low | 27.8 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | cis | -159.1 | 151 | -5.1 | -118.1 | -32.4 | 0 | 0 | 0 | 111.7 | ||||
| 542 | Y | 29.1 | Very low | 27.7 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | trans | 55.6 | 166.1 | 152.6 | -63 | -55.9 | 0 | 0 | 0 | 120.6 | ||||
| 543 | S | 25 | Very low | 27.5 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | -170 | 162.8 | -58.5 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 544 | A | 27.4 | Very low | 27.4 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | 86 | 111.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 545 | S | 25.9 | Very low | 27.5 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | 65.3 | 113.8 | 129.5 | 64.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 546 | S | 26.7 | Very low | 27.6 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | 72.5 | 115.8 | 125.1 | 67.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 547 | S | 26.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | 51 | 139.4 | 134.2 | 60.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 548 | S | 25.7 | Very low | 27.5 | Very low | 94 Ų | 94 | 115.3 Ų | 115.3 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | cis | -176.5 | 150.3 | -8.8 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 549 | T | 25.1 | Very low | 27.9 | Very low | 133 Ų | 133 | 116 Ų | 116 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | trans | 61 | 145.6 | 164.4 | 48.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 550 | S | 25.8 | Very low | 28.5 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | cis | -171.1 | 159.2 | -9.9 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 551 | I | 25.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 117.8 Ų | 117.8 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | trans | 64.8 | 135.2 | 152.8 | -70.1 | 159.5 | 0 | 0 | 0 | 116.3 | ||||
| 552 | S | 26.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -166.2 | -172.1 | -10.9 | 59.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 553 | S | 26.2 | Very low | 31.7 | Very low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | cis | -162.6 | 165.7 | 11.9 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 554 | S | 27 | Very low | 33.5 | Very low | 103 Ų | 103 | 111.2 Ų | 111.2 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | 157.9 | 148.5 | 117.7 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 555 | S | 31.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 112 Ų | 112 | 80% | 0.797 | 70% | 0.697 | S | S | * | * | trans | 63.5 | 142.6 | 172.8 | 71.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 556 | S | 31.9 | Very low | 37.4 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | cis | -163.9 | 136.9 | -18.4 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 557 | S | 28.8 | Very low | 39.6 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | 38.6 | 112.5 | 148 | 60.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 558 | S | 30.3 | Very low | 42 | Very low | 110 Ų | 110 | 109.8 Ų | 109.8 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | 174.1 | 117 | 91.3 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 559 | T | 38.6 | Very low | 44.3 | Very low | 125 Ų | 125 | 108.8 Ų | 108.8 | 77% | 0.767 | 66% | 0.658 | S | S | * | * | trans | 179.5 | 84.3 | 151.1 | 37.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 560 | Q | 40.3 | Very low | 46.9 | Very low | 152 Ų | 152 | 111.2 Ų | 111.2 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -131.6 | -16.7 | 159.1 | -87.9 | -158.9 | -17.4 | 0 | 0 | 113.9 | S562 | Q560-S562 VanDerWaalsContact C-N 3.31Å; Q560-S562 PolarHBondContact O-N 2.89Å |
| 561 | L | 46 | Very low | 49.5 | Very low | 142 Ų | 142 | 110.9 Ų | 110.9 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -29.9 | 175.1 | -85.5 | 158 | 0 | 0 | 0 | 113.7 | I565 | L561-I565 WeakPolarHBondContact O-CD1 3.15Å; L561-I565 VanDerWaalsContact O-CG1 3.32Å; L561-I565 WeakPolarHBondContact O-CG1 3.03Å; L561-I565 PolarHBondContact O-N 2.94Å |
| 562 | S | 54.4 | Low | 52.4 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 44% | 0.441 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68 | -42 | -179.5 | 52 | 0 | 0 | 0 | 0 | 113.3 | Q560 I565 V566 | Q560-S562 VanDerWaalsContact C-N 3.31Å; Q560-S562 PolarHBondContact O-N 2.89Å; S562-I565 PolarHBondContact O-N 3.27Å; S562-V566 WeakPolarHBondContact O-CG2 3.18Å; S562-V566 PolarHBondContact O-N 2.95Å; S562-V566 VanDerWaalsContact O-N 3.14Å |
| 563 | Q | 50.5 | Low | 54.9 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.9 | -38.8 | -177.6 | -69.8 | -175.1 | -13.6 | 0 | 0 | 112.3 | V566 I567 | Q563-V566 PolarHBondContact O-N 3.41Å; Q563-I567 VanDerWaalsContact O-CG1 3.32Å; Q563-I567 WeakPolarHBondContact O-CG1 3.35Å; Q563-I567 PolarHBondContact O-N 3.22Å |
| 564 | I | 63.8 | Low | 57.4 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 53% | 0.533 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 176.9 | -62.4 | 176.2 | 0 | 0 | 0 | 110.8 | I567 V568 | I564-I567 PolarHBondContact O-N 3.25Å; I564-V568 HydrophobicContact CG2-CG2 4.31Å; I564-V568 WeakPolarHBondContact O-CB 3.4Å; I564-V568 WeakPolarHBondContact O-CG2 3.32Å; I564-V568 PolarHBondContact O-N 2.58Å |
| 565 | I | 67.8 | Low | 60.2 | Low | 104 Ų | 104 | 102.3 Ų | 102.3 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.5 | -46 | 176.7 | -68.4 | 167.9 | 0 | 0 | 0 | 110.7 | L561 S562 I567 V568 S569 | L561-I565 WeakPolarHBondContact O-CD1 3.15Å; L561-I565 VanDerWaalsContact O-CG1 3.32Å; L561-I565 WeakPolarHBondContact O-CG1 3.03Å; L561-I565 PolarHBondContact O-N 2.94Å; S562-I565 PolarHBondContact O-N 3.27Å; I565-I567 PolarHBondContact O-N 3.03Å; I565-V568 PolarHBondContact O-N 2.69Å; I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.24Å; I565-S569 PolarHBondContact O-OG 3.34Å |
| 566 | V | 66.2 | Low | 62.8 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 52% | 0.515 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.1 | -43.4 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | S562 Q563 S569 Y570 | S562-V566 WeakPolarHBondContact O-CG2 3.18Å; S562-V566 PolarHBondContact O-N 2.95Å; S562-V566 VanDerWaalsContact O-N 3.14Å; Q563-V566 PolarHBondContact O-N 3.41Å; V566-S569 PolarHBondContact O-N 3.26Å; V566-Y570 HydrophobicContact CG1-CD2 4.19Å; V566-Y570 PolarHBondContact O-N 2.65Å |
| 567 | I | 73.2 | Confident | 65 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 55% | 0.554 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.2 | -44.8 | 178.5 | -67.6 | 165.2 | 0 | 0 | 0 | 111.1 | Q563 I564 I565 S569 Y570 V571 | Q563-I567 VanDerWaalsContact O-CG1 3.32Å; Q563-I567 WeakPolarHBondContact O-CG1 3.35Å; Q563-I567 PolarHBondContact O-N 3.22Å; I564-I567 PolarHBondContact O-N 3.25Å; I565-I567 PolarHBondContact O-N 3.03Å; I567-S569 PolarHBondContact O-N 2.89Å; I567-Y570 PolarHBondContact O-N 2.99Å; I567-V571 WeakPolarHBondContact O-CG2 3.47Å; I567-V571 PolarHBondContact O-N 3.3Å |
| 568 | V | 76.9 | Confident | 67.7 | Low | 76 Ų | 76 | 100.8 Ų | 100.8 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | I564 I565 V571 L572 | I564-V568 HydrophobicContact CG2-CG2 4.31Å; I564-V568 WeakPolarHBondContact O-CB 3.4Å; I564-V568 WeakPolarHBondContact O-CG2 3.32Å; I564-V568 PolarHBondContact O-N 2.58Å; I565-V568 PolarHBondContact O-N 2.69Å; V568-V571 PolarHBondContact O-N 3.37Å; V568-L572 HydrophobicContact CG1-CD1 3.97Å; V568-L572 WeakPolarHBondContact O-CB 3.4Å; V568-L572 PolarHBondContact O-N 2.86Å |
| 569 | S | 75 | Confident | 70.5 | Confident | 74 Ų | 74 | 102.1 Ų | 102.1 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.5 | -40.3 | 172.2 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | I565 V566 I567 G573 | I565-S569 WeakPolarHBondContact O-CB 3.49Å; I565-S569 PolarHBondContact O-N 3.24Å; I565-S569 PolarHBondContact O-OG 3.34Å; V566-S569 PolarHBondContact O-N 3.26Å; I567-S569 PolarHBondContact O-N 2.89Å; S569-G573 PolarHBondContact O-N 3.3Å |
| 570 | Y | 78.2 | Confident | 72.7 | Confident | 183 Ų | 183 | 100.6 Ų | 100.6 | 72% | 0.718 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 174.8 | -105.6 | -85.8 | 0 | 0 | 0 | 112.5 | V566 I567 G573 A574 | V566-Y570 HydrophobicContact CG1-CD2 4.19Å; V566-Y570 PolarHBondContact O-N 2.65Å; I567-Y570 PolarHBondContact O-N 2.99Å; Y570-G573 PolarHBondContact O-N 3.07Å; Y570-A574 WeakPolarHBondContact O-CB 3.34Å; Y570-A574 PolarHBondContact O-N 2.91Å |
| 571 | V | 81.7 | Confident | 74.7 | Confident | 82 Ų | 82 | 98 Ų | 98 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.4 | I567 V568 G573 A574 I575 | I567-V571 WeakPolarHBondContact O-CG2 3.47Å; I567-V571 PolarHBondContact O-N 3.3Å; V568-V571 PolarHBondContact O-N 3.37Å; V571-G573 VanDerWaalsContact C-N 3.35Å; V571-G573 PolarHBondContact O-N 2.98Å; V571-A574 PolarHBondContact O-N 2.84Å; V571-I575 HydrophobicContact CG1-CD1 3.97Å; V571-I575 WeakPolarHBondContact O-CG1 3.45Å; V571-I575 PolarHBondContact O-N 2.76Å |
| 572 | L | 85 | Confident | 76.5 | Confident | 108 Ų | 108 | 95.3 Ų | 95.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -39.2 | 174.3 | -78.3 | 164.9 | 0 | 0 | 0 | 112.1 | V568 I575 L576 | V568-L572 HydrophobicContact CG1-CD1 3.97Å; V568-L572 WeakPolarHBondContact O-CB 3.4Å; V568-L572 PolarHBondContact O-N 2.86Å; L572-I575 PolarHBondContact O-N 3.11Å; L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 PolarHBondContact O-N 3.49Å |
| 573 | G | 80.9 | Confident | 77.9 | Confident | 39 Ų | 39 | 94.5 Ų | 94.5 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S569 Y570 V571 L576 S577 | S569-G573 PolarHBondContact O-N 3.3Å; Y570-G573 PolarHBondContact O-N 3.07Å; V571-G573 VanDerWaalsContact C-N 3.35Å; V571-G573 PolarHBondContact O-N 2.98Å; G573-L576 PolarHBondContact O-N 2.79Å; G573-S577 WeakPolarHBondContact O-CB 3.44Å; G573-S577 PolarHBondContact O-N 2.83Å; G573-S577 PolarHBondContact O-OG 2.77Å |
| 574 | A | 78.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 92.2 Ų | 92.2 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y570 V571 S577 L578 | Y570-A574 WeakPolarHBondContact O-CB 3.34Å; Y570-A574 PolarHBondContact O-N 2.91Å; V571-A574 PolarHBondContact O-N 2.84Å; A574-S577 PolarHBondContact O-OG 3.12Å; A574-L578 WeakPolarHBondContact O-CB 3.43Å; A574-L578 PolarHBondContact O-N 3.05Å; A574-L578 VanDerWaalsContact O-N 3.07Å |
| 575 | I | 85.7 | Confident | 80 | Confident | 84 Ų | 84 | 90.7 Ų | 90.7 | 43% | 0.431 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 174.1 | -68.6 | 165.3 | 0 | 0 | 0 | 110.3 | V571 L572 L578 F579 | V571-I575 HydrophobicContact CG1-CD1 3.97Å; V571-I575 WeakPolarHBondContact O-CG1 3.45Å; V571-I575 PolarHBondContact O-N 2.76Å; L572-I575 PolarHBondContact O-N 3.11Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.22Å; I575-F579 HydrophobicContact CG2-CD2 3.91Å; I575-F579 HydrophobicContact CG2-CE2 3.71Å; I575-F579 VanDerWaalsContact O-CD2 3.26Å; I575-F579 WeakPolarHBondContact O-CD2 3.46Å; I575-F579 PolarHBondContact O-N 3.38Å; I575-F579 VanDerWaalsContact O-N 3.11Å |
| 576 | L | 85.9 | Confident | 80.6 | Confident | 112 Ų | 112 | 89.9 Ų | 89.9 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 178.6 | -169.1 | 68.7 | 0 | 0 | 0 | 112.1 | L572 G573 L578 F579 I580 | L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 PolarHBondContact O-N 3.49Å; G573-L576 PolarHBondContact O-N 2.79Å; L576-L578 VanDerWaalsContact C-N 3.33Å; L576-L578 PolarHBondContact O-N 3.36Å; L576-F579 PolarHBondContact O-N 3.49Å; L576-I580 HydrophobicContact CG-CD1 4.24Å; L576-I580 WeakPolarHBondContact O-CG1 3.42Å; L576-I580 PolarHBondContact O-N 2.63Å |
| 577 | S | 77.4 | Confident | 81.1 | Confident | 71 Ų | 71 | 90.3 Ų | 90.3 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 176.1 | 69 | 0 | 0 | 0 | 0 | 112.4 | G573 A574 I580 L581 | G573-S577 WeakPolarHBondContact O-CB 3.44Å; G573-S577 PolarHBondContact O-N 2.83Å; G573-S577 PolarHBondContact O-OG 2.77Å; A574-S577 PolarHBondContact O-OG 3.12Å; S577-I580 PolarHBondContact O-N 2.84Å; S577-L581 WeakPolarHBondContact O-CB 3.49Å; S577-L581 PolarHBondContact O-N 2.76Å |
| 578 | L | 84.8 | Confident | 80.9 | Confident | 108 Ų | 108 | 89.5 Ų | 89.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 172.6 | -161.9 | 77.2 | 0 | 0 | 0 | 112.2 | A574 I575 L576 L581 L582 | A574-L578 WeakPolarHBondContact O-CB 3.43Å; A574-L578 PolarHBondContact O-N 3.05Å; A574-L578 VanDerWaalsContact O-N 3.07Å; I575-L578 WeakPolarHBondContact O-CB 3.34Å; I575-L578 PolarHBondContact O-N 3.22Å; L576-L578 VanDerWaalsContact C-N 3.33Å; L576-L578 PolarHBondContact O-N 3.36Å; L578-L581 PolarHBondContact O-N 3.24Å; L578-L582 PolarHBondContact O-N 2.74Å |
| 579 | F | 88.8 | Confident | 80.5 | Confident | 137 Ų | 137 | 91.9 Ų | 91.9 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | 174.1 | -81.2 | -66.3 | 0 | 0 | 0 | 112.8 | I575 L576 L582 A583 | I575-F579 HydrophobicContact CG2-CD2 3.91Å; I575-F579 HydrophobicContact CG2-CE2 3.71Å; I575-F579 VanDerWaalsContact O-CD2 3.26Å; I575-F579 WeakPolarHBondContact O-CD2 3.46Å; I575-F579 PolarHBondContact O-N 3.38Å; I575-F579 VanDerWaalsContact O-N 3.11Å; L576-F579 PolarHBondContact O-N 3.49Å; F579-L582 PolarHBondContact O-N 2.74Å; F579-A583 WeakPolarHBondContact O-CB 3.47Å; F579-A583 PolarHBondContact O-N 2.98Å |
| 580 | I | 86 | Confident | 80.2 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 173.7 | -68.9 | 164.9 | 0 | 0 | 0 | 110.5 | L576 S577 A583 I584 | L576-I580 HydrophobicContact CG-CD1 4.24Å; L576-I580 WeakPolarHBondContact O-CG1 3.42Å; L576-I580 PolarHBondContact O-N 2.63Å; S577-I580 PolarHBondContact O-N 2.84Å; I580-A583 PolarHBondContact O-N 2.7Å; I580-I584 HydrophobicContact CG2-CD1 3.82Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 VanDerWaalsContact O-CG1 3.32Å; I580-I584 WeakPolarHBondContact O-CG1 3.13Å; I580-I584 PolarHBondContact O-N 2.75Å |
| 581 | L | 81.1 | Confident | 79 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.8 | -165.5 | 75.9 | 0 | 0 | 0 | 111.5 | S577 L578 A583 I584 I585 | S577-L581 WeakPolarHBondContact O-CB 3.49Å; S577-L581 PolarHBondContact O-N 2.76Å; L578-L581 PolarHBondContact O-N 3.24Å; L581-A583 PolarHBondContact O-N 2.8Å; L581-I584 PolarHBondContact O-N 3.2Å; L581-I585 HydrophobicContact CG-CD1 4.18Å; L581-I585 VanDerWaalsContact O-CG1 3.27Å; L581-I585 WeakPolarHBondContact O-CG1 3Å; L581-I585 PolarHBondContact O-N 3.2Å |
| 582 | L | 85 | Confident | 77.3 | Confident | 86 Ų | 86 | 95.8 Ų | 95.8 | 45% | 0.45 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 173.6 | -87.5 | 161 | 0 | 0 | 0 | 112.4 | L578 F579 I585 I586 | L578-L582 PolarHBondContact O-N 2.74Å; F579-L582 PolarHBondContact O-N 2.74Å; L582-I585 PolarHBondContact O-N 2.88Å; L582-I586 VanDerWaalsContact O-CG1 3.29Å; L582-I586 WeakPolarHBondContact O-CG1 3.31Å; L582-I586 PolarHBondContact O-N 3.37Å |
| 583 | A | 82.7 | Confident | 75.4 | Confident | 46 Ų | 46 | 99 Ų | 99 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F579 I580 L581 I586 I587 | F579-A583 WeakPolarHBondContact O-CB 3.47Å; F579-A583 PolarHBondContact O-N 2.98Å; I580-A583 PolarHBondContact O-N 2.7Å; L581-A583 PolarHBondContact O-N 2.8Å; A583-I586 PolarHBondContact O-N 2.82Å; A583-I587 VanDerWaalsContact O-CG1 3.28Å; A583-I587 WeakPolarHBondContact O-CG1 3.18Å; A583-I587 PolarHBondContact O-N 3.17Å |
| 584 | I | 78.8 | Confident | 73.8 | Confident | 82 Ų | 82 | 104.5 Ų | 104.5 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.6 | -70.6 | 167.3 | 0 | 0 | 0 | 110.6 | I580 L581 I586 I587 I588 | I580-I584 HydrophobicContact CG2-CD1 3.82Å; I580-I584 HydrophobicContact CG2-CG1 4.48Å; I580-I584 VanDerWaalsContact O-CG1 3.32Å; I580-I584 WeakPolarHBondContact O-CG1 3.13Å; I580-I584 PolarHBondContact O-N 2.75Å; L581-I584 PolarHBondContact O-N 3.2Å; I584-I586 VanDerWaalsContact C-N 3.33Å; I584-I586 PolarHBondContact O-N 3.31Å; I584-I587 PolarHBondContact O-N 2.92Å; I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.34Å; I584-I588 WeakPolarHBondContact O-CB 3.28Å; I584-I588 WeakPolarHBondContact O-CG1 3.49Å; I584-I588 PolarHBondContact O-N 3.3Å |
| 585 | I | 79.7 | Confident | 71.7 | Confident | 71 Ų | 71 | 111.1 Ų | 111.1 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.3 | -70.5 | 163.9 | 0 | 0 | 0 | 111 | L581 L582 I587 I588 Q589 | L581-I585 HydrophobicContact CG-CD1 4.18Å; L581-I585 VanDerWaalsContact O-CG1 3.27Å; L581-I585 WeakPolarHBondContact O-CG1 3Å; L581-I585 PolarHBondContact O-N 3.2Å; L582-I585 PolarHBondContact O-N 2.88Å; I585-I587 PolarHBondContact O-N 3.5Å; I585-I588 PolarHBondContact O-N 2.92Å; I585-Q589 HydrophobicContact CG2-CG 4.41Å; I585-Q589 WeakPolarHBondContact O-CB 3.37Å; I585-Q589 VanDerWaalsContact O-CG 3.28Å; I585-Q589 WeakPolarHBondContact O-CG 3Å; I585-Q589 PolarHBondContact O-N 3.33Å |
| 586 | I | 80.4 | Confident | 69.4 | Low | 87 Ų | 87 | 114.4 Ų | 114.4 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 176 | -69.7 | 164 | 0 | 0 | 0 | 111.6 | L582 A583 I584 R590 | L582-I586 VanDerWaalsContact O-CG1 3.29Å; L582-I586 WeakPolarHBondContact O-CG1 3.31Å; L582-I586 PolarHBondContact O-N 3.37Å; A583-I586 PolarHBondContact O-N 2.82Å; I584-I586 VanDerWaalsContact C-N 3.33Å; I584-I586 PolarHBondContact O-N 3.31Å; I586-R590 WeakPolarHBondContact O-CB 3.28Å; I586-R590 WeakPolarHBondContact O-CG 3.45Å; I586-R590 PolarHBondContact O-N 2.87Å |
| 587 | I | 77.1 | Confident | 67 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.6 | -42 | 175.3 | -69.8 | 163.9 | 0 | 0 | 0 | 111.1 | A583 I584 I585 R590 K591 | A583-I587 VanDerWaalsContact O-CG1 3.28Å; A583-I587 WeakPolarHBondContact O-CG1 3.18Å; A583-I587 PolarHBondContact O-N 3.17Å; I584-I587 PolarHBondContact O-N 2.92Å; I585-I587 PolarHBondContact O-N 3.5Å; I587-R590 PolarHBondContact O-N 3.42Å; I587-K591 PolarHBondContact O-N 3.5Å |
| 588 | I | 70.2 | Confident | 64.9 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -45.8 | 174.6 | -69.6 | 169.6 | 0 | 0 | 0 | 110 | I584 I585 R590 K591 C592 | I584-I588 HydrophobicContact CG2-CD1 3.71Å; I584-I588 HydrophobicContact CG2-CG1 4.34Å; I584-I588 WeakPolarHBondContact O-CB 3.28Å; I584-I588 WeakPolarHBondContact O-CG1 3.49Å; I584-I588 PolarHBondContact O-N 3.3Å; I585-I588 PolarHBondContact O-N 2.92Å; I588-R590 VanDerWaalsContact C-N 3.32Å; I588-R590 PolarHBondContact O-N 3.3Å; I588-K591 PolarHBondContact O-N 2.93Å; I588-C592 WeakPolarHBondContact O-CB 3.26Å; I588-C592 PolarHBondContact O-N 3.23Å; I588-C592 PolarHBondContact O-SG 3.34Å; I588-C592 VanDerWaalsContact O-SG 3.34Å |
| 589 | Q | 68.2 | Low | 62.2 | Low | 126 Ų | 126 | 123.6 Ų | 123.6 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.8 | -40.5 | 174.7 | -75.1 | 177.3 | 0.8 | 0 | 0 | 111.9 | I585 K593 | I585-Q589 HydrophobicContact CG2-CG 4.41Å; I585-Q589 WeakPolarHBondContact O-CB 3.37Å; I585-Q589 VanDerWaalsContact O-CG 3.28Å; I585-Q589 WeakPolarHBondContact O-CG 3Å; I585-Q589 PolarHBondContact O-N 3.33Å; Q589-K593 WeakPolarHBondContact O-CB 3.36Å; Q589-K593 PolarHBondContact O-N 2.78Å |
| 590 | R | 67.7 | Low | 59.5 | Low | 193 Ų | 193 | 125.5 Ų | 125.5 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64 | -43.8 | 173.3 | -80 | 178.7 | 167.1 | -174.1 | -4.6 | 112.7 | I586 I587 I588 H594 | I586-R590 WeakPolarHBondContact O-CB 3.28Å; I586-R590 WeakPolarHBondContact O-CG 3.45Å; I586-R590 PolarHBondContact O-N 2.87Å; I587-R590 PolarHBondContact O-N 3.42Å; I588-R590 VanDerWaalsContact C-N 3.32Å; I588-R590 PolarHBondContact O-N 3.3Å; R590-H594 PolarHBondContact O-N 3.44Å |
| 591 | K | 53.6 | Low | 56.7 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -44.2 | 177.8 | -77 | -167.8 | 172.5 | -170.8 | 0 | 112.8 | I587 I588 K593 H594 Y595 | I587-K591 PolarHBondContact O-N 3.5Å; I588-K591 PolarHBondContact O-N 2.93Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.43Å; K591-H594 WeakPolarHBondContact O-CA 3.28Å; K591-H594 VanDerWaalsContact O-CB 3.25Å; K591-H594 WeakPolarHBondContact O-CB 3.48Å; K591-H594 PolarHBondContact O-N 2.92Å; K591-Y595 PolarHBondContact O-N 2.96Å |
| 592 | C | 46.7 | Very low | 54.1 | Low | 72 Ų | 72 | 128.3 Ų | 128.3 | 49% | 0.486 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65 | -35.7 | 176.9 | -68 | 0 | 0 | 0 | 0 | 112.3 | I588 H594 Y595 L596 | I588-C592 WeakPolarHBondContact O-CB 3.26Å; I588-C592 PolarHBondContact O-N 3.23Å; I588-C592 PolarHBondContact O-SG 3.34Å; I588-C592 VanDerWaalsContact O-SG 3.34Å; C592-H594 PolarHBondContact O-N 2.81Å; C592-Y595 PolarHBondContact O-N 2.98Å; C592-L596 PolarHBondContact O-N 3.13Å |
| 593 | K | 44.3 | Very low | 51.3 | Low | 177 Ų | 177 | 129.9 Ų | 129.9 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.4 | -24 | 172 | -167.4 | 169 | -175 | 176.2 | 0 | 112.8 | Q589 K591 | Q589-K593 WeakPolarHBondContact O-CB 3.36Å; Q589-K593 PolarHBondContact O-N 2.78Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.43Å |
| 594 | H | 46.2 | Very low | 48.6 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79 | -43 | 169.7 | -130.9 | -84.7 | 0 | 0 | 0 | 112.1 | R590 K591 C592 H597 | R590-H594 PolarHBondContact O-N 3.44Å; K591-H594 WeakPolarHBondContact O-CA 3.28Å; K591-H594 VanDerWaalsContact O-CB 3.25Å; K591-H594 WeakPolarHBondContact O-CB 3.48Å; K591-H594 PolarHBondContact O-N 2.92Å; C592-H594 PolarHBondContact O-N 2.81Å; H594-H597 WeakPolarHBondContact O-CB 3.32Å; H594-H597 PolarHBondContact O-N 2.74Å |
| 595 | Y | 36.7 | Very low | 46.2 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.2 | -35.5 | -174.6 | -142.3 | -102.5 | 0 | 0 | 0 | 113.2 | K591 C592 H597 F598 | K591-Y595 PolarHBondContact O-N 2.96Å; C592-Y595 PolarHBondContact O-N 2.98Å; Y595-H597 PolarHBondContact O-N 2.89Å; Y595-F598 PolarHBondContact O-N 3.39Å |
| 596 | L | 36.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70.5 | -18.6 | 175.5 | -127.1 | 76.6 | 0 | 0 | 0 | 113.5 | C592 | C592-L596 PolarHBondContact O-N 3.13Å |
| 597 | H | 35.4 | Very low | 41.2 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 51% | 0.505 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -78.4 | -26.1 | 178.7 | -156.4 | -82.8 | 0 | 0 | 0 | 112.6 | H594 Y595 Q601 | H594-H597 WeakPolarHBondContact O-CB 3.32Å; H594-H597 PolarHBondContact O-N 2.74Å; Y595-H597 PolarHBondContact O-N 2.89Å; H597-Q601 PolarHBondContact CE1-OE1 3.13Å; H597-Q601 PolarHBondContact ND1-OE1 2.77Å |
| 598 | F | 32.1 | Very low | 39 | Very low | 175 Ų | 175 | 152.9 Ų | 152.9 | 77% | 0.768 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -80.2 | -20.4 | -171.6 | -148.8 | -102.7 | 0 | 0 | 0 | 114.1 | Y595 | Y595-F598 PolarHBondContact O-N 3.39Å |
| 599 | K | 29.1 | Very low | 37.1 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8.9 | 179.7 | -149.6 | 174.4 | -177.6 | 176.3 | 0 | 114.4 | ||
| 600 | H | 31.1 | Very low | 35.4 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 19.4 | -176.4 | -146.3 | -61.3 | 0 | 0 | 0 | 115.1 | ||
| 601 | Q | 28.4 | Very low | 33.7 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 52% | 0.523 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -118.9 | 4.4 | -175 | -129.5 | 169.8 | -8.4 | 0 | 0 | 116.1 | H597 | H597-Q601 PolarHBondContact CE1-OE1 3.13Å; H597-Q601 PolarHBondContact ND1-OE1 2.77Å |
| 602 | C | 26.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -109 | 38.7 | 173.3 | -81.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 603 | C | 26 | Very low | 31.4 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -160.5 | 70.9 | 168.4 | -147.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 604 | K | 26.4 | Very low | 30.8 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | 171.1 | 99.2 | 152.1 | -99.8 | 165.8 | -177.9 | 178.4 | 0 | 111.8 | ||||
| 605 | Q | 28.4 | Very low | 30 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -151.1 | 74.1 | 154.2 | -102 | -58.2 | -3.5 | 0 | 0 | 109.3 | ||||
| 606 | L | 26 | Very low | 29.6 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -158.2 | 61.1 | 168.3 | -131.5 | 175.7 | 0 | 0 | 0 | 111.6 | ||||
| 607 | K | 27.9 | Very low | 29.3 | Very low | 156 Ų | 156 | 140 Ų | 140 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -150 | 110 | 157.5 | -163.1 | -170.2 | -177.1 | -160.7 | 0 | 109.1 | E609 | K607-E609 HydrophobicContact CD-CG 4.27Å; K607-E609 WeakPolarHBondContact CE-OE1 3.29Å; K607-E609 HydrophobicContact CG-CG 4.49Å; K607-E609 IonicContact NZ-OE1 2.65Å; K607-E609 PolarHBondContact NZ-OE1 3.28Å | ||
| 608 | V | 31.6 | Very low | 29 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -91.6 | 132.6 | 163.1 | 176.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 609 | E | 30 | Very low | 29 | Very low | 130 Ų | 130 | 140 Ų | 140 | 61% | 0.607 | 79% | 0.786 | S | S | * | * | trans | -110.8 | 149 | 165.5 | -60.1 | -174.6 | 154.8 | 0 | 0 | 107.8 | K607 | K607-E609 HydrophobicContact CD-CG 4.27Å; K607-E609 WeakPolarHBondContact CE-OE1 3.29Å; K607-E609 HydrophobicContact CG-CG 4.49Å; K607-E609 IonicContact NZ-OE1 2.65Å; K607-E609 PolarHBondContact NZ-OE1 3.28Å | ||
| 610 | T | 33.3 | Very low | 29 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -177.7 | 129.1 | 117.7 | 30.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 611 | T | 30.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 37.9 | 144.2 | 138.2 | 63 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 612 | G | 28.3 | Very low | 29 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | cis | 148.6 | 152.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 613 | G | 25.6 | Very low | 29.2 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | 88.9 | 123.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 614 | I | 31.7 | Very low | 29.4 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -173.4 | 161.5 | 133.8 | -94.8 | 157.5 | 0 | 0 | 0 | 107.3 | ||||
| 615 | S | 27.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -113.3 | 168.5 | -157.1 | 59.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 616 | S | 28.7 | Very low | 30.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 75.2 | 140.8 | 142 | 56.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 617 | N | 29.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 73.5 | 148 | 159.3 | -60.5 | -17.6 | 0 | 0 | 0 | 117.8 | ||||
| 618 | Q | 30.7 | Very low | 30.7 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -164.9 | 155.2 | -12.9 | -114.3 | 165.8 | 6.3 | 0 | 0 | 110.6 | ||||
| 619 | S | 31.2 | Very low | 30.8 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 61.2 | 148.5 | 163.5 | 61.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 620 | G | 30.2 | Very low | 30.9 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -165.6 | 170.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 621 | G | 28.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -77.7 | -170.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 622 | F | 30.3 | Very low | 30.4 | Very low | 191 Ų | 191 | 124.6 Ų | 124.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | cis | -143 | 165.8 | 23.6 | -81.8 | -96.3 | 0 | 0 | 0 | 110 | ||||
| 623 | Y | 30.1 | Very low | 30.4 | Very low | 219 Ų | 219 | 124.7 Ų | 124.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | cis | -147.7 | 157.9 | 48.1 | -87.8 | -96.8 | 0 | 0 | 0 | 115.2 | ||||
| 624 | S | 31.8 | Very low | 30.6 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -156.7 | 168.4 | 163.5 | -49.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 625 | P | 42.7 | Very low | 30.5 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | -147.2 | 162.8 | 124.7 | 36.8 | -21.9 | 0 | 0 | 0 | 115.9 | |||||
| 626 | I | 31.6 | Very low | 30.5 | Very low | 166 Ų | 166 | 125 Ų | 125 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | 73 | 136.2 | 177.7 | -54.4 | 172.1 | 0 | 0 | 0 | 113 | ||||
| 627 | S | 30.8 | Very low | 30.6 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | cis | -121.9 | -179.6 | -4 | 72.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 628 | L | 31 | Very low | 30.5 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | 74 | 120.9 | 17.8 | -54.3 | 176.2 | 0 | 0 | 0 | 116.2 | ||||
| 629 | I | 33.3 | Very low | 30.8 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | cis | -147.1 | 139.4 | -4.7 | -90.5 | 155.3 | 0 | 0 | 0 | 106.5 | ||||
| 630 | G | 30.4 | Very low | 30.8 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | 134.6 | 162.2 | 101.9 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 631 | T | 28.7 | Very low | 30.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -137 | 149.6 | -162.1 | 53.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 632 | C | 24.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | 70.7 | 128.5 | 155.5 | -64.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 633 | G | 28.7 | Very low | 30.7 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 171.7 | 121.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 634 | S | 29.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -72.4 | 165.6 | 168.7 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 635 | T | 30 | Very low | 30.4 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | cis | -162.8 | 164.4 | 17 | -16.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 636 | N | 27.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 51.3 | 110.8 | 151.5 | -60.3 | -16.9 | 0 | 0 | 0 | 120.9 | ||||
| 637 | H | 32.1 | Very low | 29.3 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | -173.4 | 165.1 | 98.7 | -99.8 | -70.5 | 0 | 0 | 0 | 112.9 | |||||
| 638 | H | 27.3 | Very low | 29 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -122 | 172.2 | 175.8 | -121 | -3.6 | 0 | 0 | 0 | 107.5 | ||||
| 639 | P | 38 | Very low | 28.7 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 58% | 0.584 | 78% | 0.779 | S | S | * | * | cis | -144 | -170.1 | 31.2 | 43.6 | -23.5 | 0 | 0 | 0 | 116.6 | ||||
| 640 | H | 31.1 | Very low | 28.6 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | 41.7 | 119 | 161.4 | -51.7 | -55.2 | 0 | 0 | 0 | 118.9 | ||||
| 641 | G | 28.7 | Very low | 28.4 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 138.4 | -160.6 | 10.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 642 | V | 29.8 | Very low | 28.4 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | cis | -153.3 | 128.4 | -9.5 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 643 | N | 26.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -163.6 | 140.3 | 148.7 | -121 | -28.9 | 0 | 0 | 0 | 116 | ||||
| 644 | S | 26.2 | Very low | 28.3 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | 64.7 | 124.8 | 161.1 | 65.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 645 | L | 28.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 74.6 | 97.2 | 144.5 | -62.3 | 166.4 | 0 | 0 | 0 | 122 | ||||
| 646 | L | 25.6 | Very low | 28 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | 31.3 | 140.9 | 109.3 | -66 | 168.9 | 0 | 0 | 0 | 119.3 | |||||
| 647 | N | 25.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -156.6 | 172.8 | 14 | -150.1 | -4.9 | 0 | 0 | 0 | 114.5 | ||||
| 648 | Y | 24.8 | Very low | 28 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 172.7 | 176 | -99.6 | -105.4 | 0 | 0 | 0 | 115.5 | ||||
| 649 | N | 24 | Very low | 27.9 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -135.5 | 177.8 | 169.1 | -127.1 | -15.8 | 0 | 0 | 0 | 110.4 | ||||
| 650 | V | 31.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 88.9 | 87 | -173.9 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 651 | V | 25.8 | Very low | 27.1 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | 79.1 | 108.4 | 71.2 | 175.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 652 | N | 29.1 | Very low | 27 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | -166.4 | 165.8 | 122.7 | -108.1 | -36 | 0 | 0 | 0 | 113.4 | |||||
| 653 | T | 25.6 | Very low | 26.8 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -82.7 | 179.7 | -174.6 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 654 | M | 26.6 | Very low | 26.7 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | cis | -162.8 | 178.5 | 32.5 | -147.5 | 163.2 | -156.1 | 0 | 0 | 112.4 | ||||
| 655 | N | 26.4 | Very low | 26.8 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | trans | -107.8 | 154 | -172.6 | -106.6 | -5.5 | 0 | 0 | 0 | 115 | ||||
| 656 | I | 26.2 | Very low | 26.7 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 21.4 | 127.2 | 143.8 | -48.2 | 168.5 | 0 | 0 | 0 | 119.1 | ||||
| 657 | P | 31.8 | Very low | 26.8 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -112.3 | 150.5 | 154.6 | 37.6 | -27.8 | 0 | 0 | 0 | 113.6 | ||||
| 658 | E | 26.7 | Very low | 26.9 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -130.3 | 151.7 | 165.8 | -177.4 | 169.9 | -140.9 | 0 | 0 | 109.8 | ||||
| 659 | A | 26.1 | Very low | 27.1 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 37.5 | 123.6 | 167 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 660 | A | 25 | Very low | 27.2 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 146.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 661 | K | 27.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -160.3 | 128.3 | 159.1 | -115 | 178.7 | -177.9 | 176.2 | 0 | 111.6 | ||||
| 662 | L | 25.6 | Very low | 27.5 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 60.6 | 135.7 | 149.9 | -61.4 | 165.2 | 0 | 0 | 0 | 117.5 | ||||
| 663 | L | 26.3 | Very low | 27.5 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | cis | -144.3 | 167.8 | 11.4 | -112.3 | 158.9 | 0 | 0 | 0 | 110.8 | ||||
| 664 | Q | 25.1 | Very low | 27.6 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -100.3 | 132.8 | -179.3 | -70.7 | 179.7 | -15 | 0 | 0 | 113.3 | ||||
| 665 | S | 27.9 | Very low | 27.6 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -161.6 | 141.5 | 150.2 | 59.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 666 | L | 27.2 | Very low | 27.6 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | cis | -143.5 | 153.9 | -7.6 | -110.4 | 159.8 | 0 | 0 | 0 | 108.4 | ||||
| 667 | S | 26.8 | Very low | 27.5 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -91.1 | 153.9 | -178 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 668 | T | 28.9 | Very low | 27.3 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -128.5 | 121.8 | 165.5 | 42.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 669 | L | 28.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 64.3 | 135.5 | 159.3 | -53 | 162.2 | 0 | 0 | 0 | 118.4 | ||||
| 670 | S | 26.5 | Very low | 27.6 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -164.6 | 147.1 | -23.5 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 671 | P | 31.7 | Very low | 27.7 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -107.4 | 154.9 | 167.7 | 37.3 | -30.5 | 0 | 0 | 0 | 112.2 | ||||
| 672 | N | 31.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -155 | 124.9 | 175.1 | -123 | -21.6 | 0 | 0 | 0 | 113.9 | ||||
| 673 | T | 30 | Very low | 28 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 61.7 | 146.6 | 157.1 | 56.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 674 | R | 28.1 | Very low | 28 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -156.1 | 163.3 | -1.8 | -139.8 | 179.5 | -175.5 | 160 | 1 | 112.6 | ||||
| 675 | T | 25.1 | Very low | 28.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | -77.9 | 176.8 | 157.5 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 676 | T | 26.5 | Very low | 28 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -160.6 | -173.2 | 26.8 | -25 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 677 | L | 25.5 | Very low | 28 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -83.2 | -174 | -169.9 | -83.1 | 150.6 | 0 | 0 | 0 | 117.3 | ||||
| 678 | T | 26.2 | Very low | 28 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 95.5 | 128.9 | 168.7 | 69.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 679 | T | 29.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -142.8 | -160.8 | -1.4 | -7.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 680 | T | 30.7 | Very low | 27.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | cis | -149 | -128 | 21.8 | -35.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 681 | T | 27.1 | Very low | 27.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -126.4 | 159.2 | -172.9 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 682 | T | 30.5 | Very low | 27.5 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | cis | -146.6 | 151.6 | 31.9 | 47.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 683 | D | 27.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 57.5 | 112.5 | 140.7 | -58 | -3.7 | 0 | 0 | 0 | 124.5 | ||||
| 684 | N | 27.5 | Very low | 27.9 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 70.6 | 122.8 | 123.1 | -65.5 | -34.7 | 0 | 0 | 0 | 124.9 | |||||
| 685 | F | 26.2 | Very low | 28 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 65 | 106.6 | 135.4 | -82.9 | -102 | 0 | 0 | 0 | 123.5 | ||||
| 686 | V | 25.6 | Very low | 28.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | 72.6 | 127.9 | 118.9 | 172.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 687 | H | 27.3 | Very low | 28.4 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 75% | 0.75 | 74% | 0.742 | S | S | * | * | trans | 74.7 | 126.6 | 156.5 | -89.6 | -55.2 | 0 | 0 | 0 | 123.7 | ||||
| 688 | N | 26.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | trans | 68.1 | 125.1 | 135.4 | -74.4 | 12.8 | 0 | 0 | 0 | 123.7 | ||||
| 689 | N | 26.8 | Very low | 29 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 85.1 | 123.8 | 130.9 | -70 | 5.1 | 0 | 0 | 0 | 122 | ||||
| 690 | N | 27.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | 84.6 | 109.1 | 136.5 | -63.7 | -2.3 | 0 | 0 | 0 | 121.2 | ||||
| 691 | N | 27.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | 91.5 | 129.8 | 123.7 | -69.4 | -5.5 | 0 | 0 | 0 | 122.1 | |||||
| 692 | C | 25.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 125 Ų | 125 | 69% | 0.689 | 74% | 0.739 | S | S | * | * | trans | 77 | 83.2 | 139.7 | -66.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 693 | L | 27.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | 73.1 | 159.2 | 114.4 | -71.9 | 167.9 | 0 | 0 | 0 | 119 | |||||
| 694 | P | 41.4 | Very low | 29.8 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -129 | -170.9 | -135.5 | 45.6 | -33.1 | 0 | 0 | 0 | 114.8 | ||||
| 695 | N | 29.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -154.5 | 134.2 | 157 | -105.7 | -42.6 | 0 | 0 | 0 | 113.3 | ||||
| 696 | N | 30.6 | Very low | 30.3 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 47.5 | 151.2 | 132.8 | -65.3 | -12 | 0 | 0 | 0 | 123 | ||||
| 697 | S | 29.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | cis | -178.5 | 154.3 | -15.4 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 698 | G | 31.8 | Very low | 30.7 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 165.5 | 101.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 699 | N | 32.7 | Very low | 30.6 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | 74.6 | 140.9 | 61.4 | -139.5 | 18.5 | 0 | 0 | 0 | 112 | |||||
| 700 | V | 34.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | cis | -141.8 | 155.2 | 21.1 | -177 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 701 | G | 31 | Very low | 30.5 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | cis | 136 | 96.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 702 | G | 32.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -173.3 | 153.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 703 | V | 33.2 | Very low | 30.5 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | cis | -143.8 | 131.8 | 9.8 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 704 | G | 31.3 | Very low | 30.7 | Very low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 59.6 | 151.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 705 | V | 33.9 | Very low | 30.7 | Very low | 143 Ų | 143 | 122 Ų | 122 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | cis | -151.5 | 141.5 | -7.7 | -179.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 706 | G | 29.9 | Very low | 30.7 | Very low | 63 Ų | 63 | 122.3 Ų | 122.3 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | 103.5 | 141.7 | 38.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 707 | V | 31.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | cis | -159.2 | 156.2 | -2.5 | -137.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 708 | N | 29.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 25.2 | 158.8 | 140 | -69.1 | 1.5 | 0 | 0 | 0 | 124 | ||||
| 709 | H | 25.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | cis | -177.7 | 145.6 | -30.5 | -143 | -81 | 0 | 0 | 0 | 109.6 | ||||
| 710 | A | 26 | Very low | 30 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 64 | 168.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 711 | V | 26.2 | Very low | 29.6 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -151.1 | 143.4 | 25.8 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 712 | L | 24.1 | Very low | 29.2 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 67.1 | 150.6 | 158.2 | -79 | 169.2 | 0 | 0 | 0 | 124.6 | ||||
| 713 | H | 27.8 | Very low | 29 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 69.9 | 126.3 | 155.6 | -72.5 | -63.9 | 0 | 0 | 0 | 124.5 | ||||
| 714 | H | 32.4 | Very low | 28.8 | Very low | 181 Ų | 181 | 134 Ų | 134 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -105.5 | 158.8 | 147.7 | -81.1 | -30.7 | 0 | 0 | 0 | 109.4 | ||||
| 715 | P | 40 | Very low | 28.8 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | -156.4 | 149.6 | 102.7 | 38.7 | -19.4 | 0 | 0 | 0 | 119.5 | |||||
| 716 | N | 30.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 32.1 | 127.4 | 138.8 | -58.4 | -7.2 | 0 | 0 | 0 | 126 | ||||
| 717 | N | 27.9 | Very low | 29 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | 44.9 | 138.9 | 128.7 | -64.8 | -4.3 | 0 | 0 | 0 | 124.8 | |||||
| 718 | I | 29.8 | Very low | 29.1 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -163.8 | 152.6 | 136.2 | -108.4 | 159.1 | 0 | 0 | 0 | 113.6 | ||||
| 719 | L | 27.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -18.3 | 165.9 | 163.7 | -60.7 | 169.5 | 0 | 0 | 0 | 120.1 | ||||
| 720 | Q | 24 | Very low | 29.4 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 62% | 0.621 | 73% | 0.734 | S | S | * | * | cis | 179.6 | 172.5 | -14.4 | -175.7 | -179.8 | 15.8 | 0 | 0 | 109 | ||||
| 721 | Y | 26.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | 78.7 | 108.6 | 161 | -73 | -68.1 | 0 | 0 | 0 | 123.7 | ||||
| 722 | T | 24 | Very low | 29.6 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | 45.1 | 140.3 | 128.2 | 43.2 | 0 | 0 | 0 | 0 | 127.2 | |||||
| 723 | V | 28.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | 101.4 | 121.4 | 136.4 | 157.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 724 | N | 28.1 | Very low | 29.8 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 56.2 | 120.4 | 156.7 | -69 | -5 | 0 | 0 | 0 | 120.7 | ||||
| 725 | N | 31.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 70.9 | 132.9 | 77 | -87.6 | 7.9 | 0 | 0 | 0 | 113.9 | |||||
| 726 | N | 33.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | cis | -149.8 | 150.8 | 35 | -88.6 | -45.4 | 0 | 0 | 0 | 114.7 | ||||
| 727 | N | 34 | Very low | 28.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | 58.7 | 143.8 | 143 | -53 | -12.6 | 0 | 0 | 0 | 119.6 | ||||
| 728 | S | 33.5 | Very low | 28.6 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | cis | -146.8 | -179.7 | 18.6 | -41.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 729 | N | 31.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | cis | -159 | 173 | 3.2 | -143.6 | 22 | 0 | 0 | 0 | 112.1 | ||||
| 730 | N | 30.8 | Very low | 28.4 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | 35 | 106.3 | 150.5 | -65.5 | 7.5 | 0 | 0 | 0 | 120.7 | ||||
| 731 | L | 28.7 | Very low | 28.7 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | 79.4 | 113.1 | 82.3 | -91.2 | 75.2 | 0 | 0 | 0 | 112.8 | |||||
| 732 | A | 27.8 | Very low | 28.9 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 63% | 0.628 | 73% | 0.728 | S | S | * | * | 77.1 | 114.7 | 62.5 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 733 | T | 25.7 | Very low | 29.3 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | cis | 90.5 | 156 | 45.7 | 63 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 734 | E | 29.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | 92.7 | 159.3 | 172.2 | -60.3 | -179.5 | -162.7 | 0 | 0 | 118.7 | ||||
| 735 | N | 26.8 | Very low | 29.6 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | -175.2 | 142.8 | -53.4 | -102.6 | -20.6 | 0 | 0 | 0 | 111 | |||||
| 736 | N | 26.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 43.1 | 108 | 144.3 | -65.6 | -4.2 | 0 | 0 | 0 | 124.1 | ||||
| 737 | S | 25.7 | Very low | 29.3 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | 69.9 | 109.9 | 116.6 | 72 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 738 | I | 25.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | 55.7 | 125.3 | 131.6 | -29.5 | 163.4 | 0 | 0 | 0 | 121.3 | ||||
| 739 | I | 27.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 138 Ų | 138 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | 170.5 | 109.7 | 115.5 | -84.3 | 176.3 | 0 | 0 | 0 | 113.7 | |||||
| 740 | V | 27 | Very low | 28.7 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 12.2 | 119.4 | 142.1 | -178.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 741 | K | 29.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | 179.9 | 178.4 | 79.2 | -133.1 | 163.2 | -170.2 | 170.6 | 0 | 108.7 | |||||
| 742 | N | 32 | Very low | 28.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -158.4 | -171.1 | 2.1 | -150 | 12.9 | 0 | 0 | 0 | 106.8 | ||||
| 743 | N | 31.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | cis | -160.3 | 170.1 | -0.5 | -160.1 | 12.2 | 0 | 0 | 0 | 111.3 | ||||
| 744 | N | 29.7 | Very low | 28.9 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 11.9 | 113.3 | 156.4 | -68.5 | -13.1 | 0 | 0 | 0 | 122.3 | ||||
| 745 | N | 33.4 | Very low | 29.1 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | -162.9 | -170 | 108.2 | -118.5 | -28.5 | 0 | 0 | 0 | 113 | |||||
| 746 | R | 30.2 | Very low | 29.3 | Very low | 217 Ų | 217 | 137.9 Ų | 137.9 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | -132.8 | 150.3 | -145.5 | -127 | -175.4 | -172.7 | 177.8 | 3.9 | 116.1 | ||||
| 747 | L | 29.2 | Very low | 29.6 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | 87.8 | 118.8 | 150.7 | -60.2 | 159.8 | 0 | 0 | 0 | 122 | ||||
| 748 | F | 28.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 50.2 | 137.7 | 144.3 | -66.2 | -63.3 | 0 | 0 | 0 | 124.2 | ||||
| 749 | G | 26.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 153.8 | 77 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 750 | T | 30.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 93% | 0.933 | 77% | 0.766 | S | S | * | * | trans | 65.8 | 179.2 | 152.2 | 60.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 751 | T | 30 | Very low | 30.4 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -134.6 | 153.9 | -152.5 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 752 | C | 26.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | 171.6 | 149.8 | 127.8 | -97.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 753 | A | 30.7 | Very low | 30.1 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 63.5 | 153.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 754 | N | 31.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | cis | -172.8 | 158.8 | -40.9 | -121 | -1.5 | 0 | 0 | 0 | 111.2 | ||||
| 755 | S | 31.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 72.9 | 162.3 | 167.7 | -36.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 756 | I | 32.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | cis | -162.7 | 160.1 | -16.3 | -113.9 | 170.6 | 0 | 0 | 0 | 105.9 | ||||
| 757 | A | 33.4 | Very low | 29.2 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -115 | -144.6 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 758 | G | 30.2 | Very low | 29 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | cis | 101.7 | 131.9 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 759 | V | 35.2 | Very low | 28.9 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | cis | -151.9 | 147.3 | -3.8 | -178.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 760 | G | 29.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 142.2 | 139.6 | 0.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 761 | D | 27.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | trans | -140.7 | 150.1 | -172.8 | -159.3 | -5.4 | 0 | 0 | 0 | 110.5 | ||||
| 762 | G | 26.5 | Very low | 28.6 | Very low | 64 Ų | 64 | 129.5 Ų | 129.5 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -134.8 | 124.9 | -159 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 763 | R | 27.2 | Very low | 28.6 | Very low | 228 Ų | 228 | 130.8 Ų | 130.8 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -155.3 | 130 | 176.2 | -113.3 | -170.7 | -179.1 | -146.5 | 0.6 | 115.8 | ||||
| 764 | I | 25.5 | Very low | 28.5 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | 72.8 | 154 | 152.5 | -42.4 | 172.7 | 0 | 0 | 0 | 118.2 | ||||
| 765 | S | 24.7 | Very low | 28.3 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 109.2 | 151.4 | 155.1 | -58.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 766 | K | 28.5 | Very low | 28.5 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -152.5 | 108.6 | -162.3 | 174.7 | -167.5 | 174.1 | -164.8 | 0 | 111.2 | ||||
| 767 | L | 27.4 | Very low | 28.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 62.2 | 151.3 | 170.5 | -75.7 | 85 | 0 | 0 | 0 | 116.3 | ||||
| 768 | D | 25 | Very low | 28.5 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -154.8 | 152.3 | -25.8 | -118.4 | -17.7 | 0 | 0 | 0 | 113.1 | ||||
| 769 | Y | 26.9 | Very low | 28.7 | Very low | 221 Ų | 221 | 133.9 Ų | 133.9 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | 32.7 | 115.3 | 159.3 | -88.2 | -87 | 0 | 0 | 0 | 124.9 | ||||
| 770 | A | 25.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -161.8 | 157.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 771 | S | 26.8 | Very low | 29.2 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | -173 | 119 | -37.6 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 772 | T | 27.3 | Very low | 29.9 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | 61.8 | 164.4 | 150.1 | 57 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 773 | I | 27.7 | Very low | 30.2 | Very low | 149 Ų | 149 | 132 Ų | 132 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | cis | -159.3 | 160.2 | -9.7 | -115.5 | 163.3 | 0 | 0 | 0 | 110.5 | ||||
| 774 | G | 28.7 | Very low | 30.4 | Very low | 64 Ų | 64 | 123.8 Ų | 123.8 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 151.9 | 99.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 775 | Q | 28.2 | Very low | 30.8 | Very low | 176 Ų | 176 | 122.3 Ų | 122.3 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | 79.4 | 152.9 | 73 | -77.6 | -165.3 | 13 | 0 | 0 | 115.1 | |||||
| 776 | P | 35.4 | Very low | 31.7 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | cis | -142.4 | 149.3 | -11.8 | 30.4 | -7.9 | 0 | 0 | 0 | 118.8 | ||||
| 777 | L | 27.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 117.6 Ų | 117.6 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | trans | 70 | 171.5 | 141.6 | -62.7 | 170.8 | 0 | 0 | 0 | 120 | ||||
| 778 | P | 37.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | -129 | -145.1 | -79.5 | 36.4 | -14.5 | 0 | 0 | 0 | 113.7 | |||||
| 779 | P | 35.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | -117.4 | -155.5 | -84.5 | 41 | -21.8 | 0 | 0 | 0 | 113.4 | |||||
| 780 | P | 35 | Very low | 32.5 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | cis | -122.2 | -117.6 | -45 | 28.7 | -3.2 | 0 | 0 | 0 | 115.7 | ||||
| 781 | P | 39.4 | Very low | 32.5 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | trans | -130.7 | -158.2 | -137 | 43.2 | -18.7 | 0 | 0 | 0 | 115 | ||||
| 782 | P | 41.9 | Very low | 33 | Very low | 102 Ų | 102 | 115.2 Ų | 115.2 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | cis | -111.7 | -107.5 | -7.4 | 25.9 | 0.1 | 0 | 0 | 0 | 114.1 | ||||
| 783 | P | 34.5 | Very low | 32.9 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 58% | 0.584 | 70% | 0.696 | S | S | * | * | cis | -119.5 | -170.7 | 8.9 | 40.9 | -23.8 | 0 | 0 | 0 | 115.8 | S931 | P783-S931 WeakPolarHBondContact CB-O 3.25Š| ||
| 784 | S | 31 | Very low | 33.2 | Very low | 55 Ų | 55 | 115.4 Ų | 115.4 | 39% | 0.385 | 70% | 0.699 | S | S | . | * | trans | -172.4 | 162.8 | 174.8 | 64.6 | 0 | 0 | 0 | 0 | 117.9 | S931 T932 | S784-S931 CarbonylContact O-C 3.33Å; S784-S931 WeakPolarHBondContact O-CA 3.43Å; S784-S931 WeakPolarHBondContact O-CB 3.02Å; S784-T932 VanDerWaalsContact C-CA 3.42Å; S784-T932 CarbonylContact C-O 3.21Å; S784-T932 WeakPolarHBondContact CA-O 3.27Å; S784-T932 PolarHBondContact N-O 3.34Å; S784-T932 CarbonylContact O-C 3.55Å; S784-T932 WeakPolarHBondContact O-CA 3.34Å; S784-T932 PolarHBondContact O-N 3.03Å | ||
| 785 | L | 33.6 | Very low | 33.5 | Very low | 111 Ų | 111 | 117 Ų | 117 | 58% | 0.581 | 70% | 0.698 | S | S | * | * | trans | 70.1 | 167.4 | 157.7 | -72.2 | 162.4 | 0 | 0 | 0 | 118.4 | T932 L933 | L785-T932 CarbonylContact O-C 3.52Å; L785-T932 VanDerWaalsContact O-C 3.23Å; L785-T932 WeakPolarHBondContact O-CA 3.28Å; L785-L933 WeakPolarHBondContact O-CG 3.36Å; L785-L933 PolarHBondContact O-N 2.92Å | ||
| 786 | P | 42.7 | Very low | 33.6 | Very low | 63 Ų | 63 | 116.9 Ų | 116.9 | 41% | 0.409 | 70% | 0.698 | S | S | . | * | cis | -135.9 | -151.7 | 14.7 | 46.4 | -26.2 | 0 | 0 | 0 | 112.7 | ||||
| 787 | N | 33.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | cis | -152.2 | 143.3 | -1.4 | -124.2 | -26 | 0 | 0 | 0 | 107.1 | ||||
| 788 | G | 32.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 113.6 Ų | 113.6 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | 116.6 | 160.4 | 82.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 789 | L | 29.8 | Very low | 33.5 | Very low | 142 Ų | 142 | 114.3 Ų | 114.3 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | cis | -161.7 | 153.4 | 0.3 | -104.1 | 166.5 | 0 | 0 | 0 | 111 | ||||
| 790 | L | 29.5 | Very low | 33.3 | Very low | 152 Ų | 152 | 114.7 Ų | 114.7 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | 78.6 | 153.9 | 151.2 | -68.1 | 164.5 | 0 | 0 | 0 | 123.1 | ||||
| 791 | L | 25.8 | Very low | 33.3 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -90.1 | -170.9 | 178.6 | -56.7 | 67.1 | 0 | 0 | 0 | 110 | ||||
| 792 | P | 35.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 70% | 0.703 | S | S | * | * | cis | -134.6 | -160.9 | -6.1 | 28.4 | -2.3 | 0 | 0 | 0 | 114.1 | ||||
| 793 | C | 26.2 | Very low | 32.4 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | 114.9 | 127.2 | 147.9 | -65.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 794 | I | 33 | Very low | 32.2 | Very low | 165 Ų | 165 | 117 Ų | 117 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -77.9 | 138.5 | 166.3 | -67.6 | 156.3 | 0 | 0 | 0 | 108.5 | ||||
| 795 | P | 34.8 | Very low | 32.1 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | -152.8 | 138 | 115 | 35.4 | -16.7 | 0 | 0 | 0 | 117.4 | |||||
| 796 | Q | 31.7 | Very low | 32.2 | Very low | 174 Ų | 174 | 120.4 Ų | 120.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 65.6 | 159 | 131.1 | -62.2 | 173.2 | -0.7 | 0 | 0 | 118.9 | ||||
| 797 | T | 33.3 | Very low | 31.7 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -152.9 | 148.4 | -12.5 | 9.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 798 | G | 31.3 | Very low | 31.5 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | 96.8 | 151.3 | 88.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 799 | V | 32.2 | Very low | 31.6 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | cis | -145.1 | 126.5 | 9.5 | 165.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 800 | V | 31.9 | Very low | 31.7 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | 49.6 | 134.5 | 108.4 | -149 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 801 | V | 34.2 | Very low | 31.7 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | cis | -152.3 | 152.5 | 44.3 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 802 | G | 31.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | cis | 143.8 | 160 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 803 | G | 31.7 | Very low | 32 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 153.1 | 60.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 804 | I | 31.2 | Very low | 32.3 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 93% | 0.928 | 77% | 0.772 | S | S | * | * | trans | 25.5 | 128.5 | 140 | -36.2 | 175.7 | 0 | 0 | 0 | 121.5 | ||||
| 805 | G | 29 | Very low | 32.3 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | 138.2 | 139.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 806 | M | 34.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 127 Ų | 127 | 86% | 0.862 | 77% | 0.765 | S | S | * | * | trans | 69.9 | 146.2 | 154.6 | -53.9 | -70.1 | -157.1 | 0 | 0 | 119.5 | ||||
| 807 | N | 31.7 | Very low | 32.2 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -160.1 | 165.3 | -35.4 | -134.2 | -14 | 0 | 0 | 0 | 113.1 | ||||
| 808 | H | 30.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -42.2 | 154.1 | 176.7 | -69.3 | -85.9 | 0 | 0 | 0 | 119.9 | ||||
| 809 | H | 33.9 | Very low | 32.2 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | -169.7 | 171.8 | 101.6 | -107 | 3.5 | 0 | 0 | 0 | 115.6 | |||||
| 810 | N | 30.9 | Very low | 32.2 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | -122.7 | 175.1 | -165.2 | -76.8 | -11.2 | 0 | 0 | 0 | 113.6 | ||||
| 811 | H | 31 | Very low | 31.9 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 93.8 | 122 | 157.1 | -68.8 | -76.8 | 0 | 0 | 0 | 120.4 | ||||
| 812 | P | 36.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | trans | -104.4 | 169.1 | 157.6 | 39.5 | -31.9 | 0 | 0 | 0 | 112.4 | ||||
| 813 | G | 31.1 | Very low | 31.6 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | 176.9 | 135 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 814 | T | 33.2 | Very low | 31.4 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | 64.7 | 146.3 | 152.8 | 56.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 815 | T | 32.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | cis | -153.5 | 161.4 | 7 | -13.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 816 | D | 30.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | trans | 61.9 | 140.4 | 156.6 | -59.3 | -50.1 | 0 | 0 | 0 | 118.8 | ||||
| 817 | Q | 33.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | cis | -164.8 | 175.9 | -2.3 | -117.5 | 164.1 | 48.6 | 0 | 0 | 107.8 | ||||
| 818 | H | 33.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 62% | 0.616 | 73% | 0.733 | S | S | * | * | cis | -142.5 | -77 | 6.2 | -154.6 | -56.2 | 0 | 0 | 0 | 113.3 | ||||
| 819 | H | 31 | Very low | 30.7 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | trans | -150.7 | 164.1 | -161.7 | -78.7 | 1.4 | 0 | 0 | 0 | 112 | ||||
| 820 | H | 32.4 | Very low | 30.3 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | cis | -138.1 | 159.6 | 11.7 | -116.5 | -68 | 0 | 0 | 0 | 112.2 | ||||
| 821 | Q | 26.4 | Very low | 30.2 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -115.4 | 162.4 | 171.8 | -62.8 | 176.1 | -63.4 | 0 | 0 | 112.2 | ||||
| 822 | I | 31 | Very low | 30 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 179 | 116 | 139.7 | -94.4 | 152 | 0 | 0 | 0 | 106.4 | ||||
| 823 | I | 27.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | 71.3 | 124.1 | 73.4 | -66.6 | 166.3 | 0 | 0 | 0 | 109.9 | |||||
| 824 | E | 28.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | cis | -154.9 | -177.8 | 19.9 | -142.2 | 152.9 | -131.3 | 0 | 0 | 114.1 | ||||
| 825 | Q | 26.2 | Very low | 29.3 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -108.6 | -172.5 | 163.8 | -77.4 | -162.5 | -0.8 | 0 | 0 | 109 | ||||
| 826 | P | 35.9 | Very low | 29.2 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | cis | -151.1 | 175.4 | 13.7 | 47.2 | -25.8 | 0 | 0 | 0 | 120.6 | ||||
| 827 | T | 27.2 | Very low | 29.2 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | 32.5 | 119.4 | 143.4 | 62 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 828 | S | 26.9 | Very low | 28.9 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | 84.4 | 122.7 | 114.1 | 77.6 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 829 | M | 24.8 | Very low | 28.6 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | 84.6 | 152.8 | 126.8 | -91 | -165.5 | -69.4 | 0 | 0 | 126 | |||||
| 830 | Y | 26.1 | Very low | 28.5 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 73.1 | 147.9 | 164.4 | -69.2 | -58.5 | 0 | 0 | 0 | 118.7 | ||||
| 831 | I | 28.1 | Very low | 28.2 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -145 | 179.9 | 11.4 | -124 | 153 | 0 | 0 | 0 | 113 | ||||
| 832 | Q | 27.6 | Very low | 28.3 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -73.7 | -176.8 | -171.7 | -53.9 | 149.4 | -53.4 | 0 | 0 | 115.3 | ||||
| 833 | T | 28.2 | Very low | 28.2 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | cis | -165.8 | 146.7 | 20.9 | -16.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 834 | N | 28.8 | Very low | 28.2 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | 29.1 | 134.8 | 146 | -57.7 | -8.6 | 0 | 0 | 0 | 125.6 | ||||
| 835 | A | 28.2 | Very low | 28.2 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | 173 | 134.4 | 109.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 836 | A | 31.1 | Very low | 28.3 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 112.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 837 | N | 30.2 | Very low | 28.1 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | 69.5 | 122.6 | 124.4 | -76.7 | -35.3 | 0 | 0 | 0 | 127.5 | |||||
| 838 | R | 28.1 | Very low | 28.3 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 78.1 | 114.8 | 131.2 | -73.9 | -170.4 | 172.6 | -159 | -1.7 | 125.2 | ||||
| 839 | L | 27.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | 45.9 | 114 | 124 | -74.1 | 163.1 | 0 | 0 | 0 | 122.1 | |||||
| 840 | T | 28.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | 179.7 | 178.2 | 103.4 | 34 | 0 | 0 | 0 | 0 | 113 | |||||
| 841 | T | 26.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -104.2 | 148.8 | -165.8 | 51.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 842 | T | 27 | Very low | 28.8 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | 171.5 | 140.9 | 112.1 | 39.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 843 | T | 29.3 | Very low | 28.9 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 59.7 | 114.1 | 146 | 54.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 844 | T | 27.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 75.9 | 123.3 | 129.4 | 56.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 845 | L | 28.2 | Very low | 28.8 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 90.7 | 118.1 | 137.4 | -75 | 165.7 | 0 | 0 | 0 | 122.4 | ||||
| 846 | V | 29.5 | Very low | 28.8 | Very low | 143 Ų | 143 | 136 Ų | 136 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | 65.2 | 121.3 | 152.8 | -171.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 847 | G | 30.7 | Very low | 28.6 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 160.4 | 133 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 848 | N | 31.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -79.1 | 155.8 | -171.4 | -64 | 0.6 | 0 | 0 | 0 | 114.8 | ||||
| 849 | D | 27.2 | Very low | 28.5 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 67.1 | 138.3 | 146.4 | -63 | -37.1 | 0 | 0 | 0 | 122.8 | ||||
| 850 | L | 30.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 70.6 | 77.1 | 154.8 | -68.2 | 165.6 | 0 | 0 | 0 | 120.5 | ||||
| 851 | N | 29.2 | Very low | 28.4 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 84.5 | 131.9 | 125.5 | -73 | -13.8 | 0 | 0 | 0 | 122.9 | |||||
| 852 | S | 30.8 | Very low | 28.4 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 79.5 | 147.1 | 158.8 | 89.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 853 | L | 29.3 | Very low | 28.3 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -156.4 | 134.3 | 0.7 | -145.2 | 161 | 0 | 0 | 0 | 110.4 | ||||
| 854 | N | 28 | Very low | 28.3 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 157.8 | 142.8 | 144.5 | -85.1 | -40.4 | 0 | 0 | 0 | 111.6 | ||||
| 855 | G | 26.3 | Very low | 28.3 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | 134.4 | 46 | 161.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 856 | M | 27.7 | Very low | 28.4 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | 53.4 | 86.7 | 159.3 | -65.3 | 177.4 | 173.6 | 0 | 0 | 118.5 | ||||
| 857 | S | 27.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | -90.8 | 171.2 | 126.9 | 72.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 858 | P | 31.2 | Very low | 28.2 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | -134.1 | -176.8 | 23.4 | 43.6 | -26.4 | 0 | 0 | 0 | 116.5 | ||||
| 859 | E | 24.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -56.1 | 159.1 | 165 | -54.1 | 128.1 | 121.4 | 0 | 0 | 112.5 | ||||
| 860 | Y | 30.1 | Very low | 28.3 | Very low | 219 Ų | 219 | 135.4 Ų | 135.4 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -129.7 | 99.4 | 149.4 | -106.8 | -83 | 0 | 0 | 0 | 110.1 | ||||
| 861 | A | 23.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -89.3 | 127 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 862 | S | 27.6 | Very low | 28.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -154.5 | 107.8 | 168.9 | 56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 863 | A | 24.7 | Very low | 28.8 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -106.1 | 143.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 864 | S | 29 | Very low | 28.9 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -169.6 | 113.3 | 161.2 | -75.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 865 | I | 27.7 | Very low | 29 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | 78.2 | 125.5 | 40.2 | -53.1 | 164.9 | 0 | 0 | 0 | 111.1 | ||||
| 866 | F | 29.5 | Very low | 29.2 | Very low | 197 Ų | 197 | 131.2 Ų | 131.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | -91.6 | -144.5 | -2.4 | -53.5 | -89.5 | 0 | 0 | 0 | 110.5 | ||||
| 867 | G | 27.4 | Very low | 29.4 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 164.3 | 144.2 | -2.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 868 | F | 28.5 | Very low | 29.4 | Very low | 204 Ų | 204 | 128 Ų | 128 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | cis | -135.1 | 153.2 | 8.4 | -89 | -101.2 | 0 | 0 | 0 | 111.5 | ||||
| 869 | T | 26.7 | Very low | 29.5 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 138.5 | 163.2 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 870 | P | 33.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -107.3 | 123.4 | 174.3 | 34.8 | -27.4 | 0 | 0 | 0 | 113 | ||||
| 871 | P | 33.8 | Very low | 29.7 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -94.4 | 163.2 | 166 | 36.7 | -32.5 | 0 | 0 | 0 | 112.6 | ||||
| 872 | P | 35.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -104.2 | 167.7 | -179.4 | 39.1 | -34.4 | 0 | 0 | 0 | 115.2 | ||||
| 873 | S | 31.8 | Very low | 29.7 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 64.9 | 145.3 | 164.1 | 46.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 874 | D | 31.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | cis | -163.9 | 159.6 | -5.9 | -119.6 | -21.5 | 0 | 0 | 0 | 112.6 | ||||
| 875 | L | 31.6 | Very low | 30 | Very low | 140 Ų | 140 | 131 Ų | 131 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 61.3 | 152.8 | 154.6 | -65.2 | 164.5 | 0 | 0 | 0 | 119.5 | ||||
| 876 | S | 29.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | cis | -156.7 | -170.2 | -16.2 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 877 | D | 31.9 | Very low | 30.3 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 78.1 | 138.9 | 168.3 | -57.3 | 17.6 | 0 | 0 | 0 | 117.1 | ||||
| 878 | G | 28.5 | Very low | 30.6 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | cis | 164.5 | 87.8 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 879 | A | 31.8 | Very low | 30.8 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -156.5 | 133 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 880 | S | 27.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -157.3 | 117.5 | -180 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 881 | I | 31.7 | Very low | 31 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -140.5 | 113 | 166.5 | -66.2 | -172.3 | 0 | 0 | 0 | 112.2 | ||||
| 882 | H | 27.8 | Very low | 30.9 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 168.2 | 150.4 | -85 | -30.3 | 0 | 0 | 0 | 124.4 | ||||
| 883 | C | 24.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -127.1 | 168.2 | -163.3 | -46.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 884 | G | 29.4 | Very low | 30.8 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -159 | 138.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 885 | E | 30.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -115.5 | 169.6 | -175.7 | -69.3 | -172.3 | 129.8 | 0 | 0 | 113 | ||||
| 886 | N | 32.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | trans | 102.2 | 97.8 | 154.2 | -63.3 | -72 | 0 | 0 | 0 | 120.5 | ||||
| 887 | N | 31.4 | Very low | 31.2 | Very low | 122 Ų | 122 | 127 Ų | 127 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | 54.4 | 113.4 | 112.1 | -57.7 | -28.2 | 0 | 0 | 0 | 121.1 | |||||
| 888 | N | 33 | Very low | 31 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 164.9 | 141.9 | 95.8 | -89.4 | -50.7 | 0 | 0 | 0 | 115 | |||||
| 889 | N | 32.9 | Very low | 31 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 55.6 | 150.2 | 144.2 | -67.9 | -17.8 | 0 | 0 | 0 | 121.8 | ||||
| 890 | S | 34 | Very low | 30.9 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | cis | -176 | 151.6 | -14.8 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 891 | G | 31.2 | Very low | 30.8 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 140 | 112 | 148 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 892 | N | 32.1 | Very low | 31 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | 54.2 | 140.1 | 146.7 | -55.7 | -7.6 | 0 | 0 | 0 | 119.5 | ||||
| 893 | N | 32.7 | Very low | 31.1 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -173.3 | 166.8 | -1.8 | -107.4 | -12.3 | 0 | 0 | 0 | 107.9 | ||||
| 894 | N | 32.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | cis | -155.6 | -179.2 | 4.2 | -143.7 | -12.7 | 0 | 0 | 0 | 114 | ||||
| 895 | I | 31.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | -11.8 | 153.7 | 161.9 | -75.9 | 160.4 | 0 | 0 | 0 | 122.9 | ||||
| 896 | P | 37.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -136.2 | -167.9 | -153.6 | 43.7 | -23.8 | 0 | 0 | 0 | 118.6 | ||||
| 897 | S | 30.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | 83.1 | 156.7 | 158.8 | 88.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 898 | N | 29 | Very low | 31.3 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -166.6 | 173.5 | -8.7 | -130 | -16.3 | 0 | 0 | 0 | 113.6 | ||||
| 899 | Y | 28.6 | Very low | 31.2 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | 76.4 | 114.3 | 159.4 | -72.1 | -70.7 | 0 | 0 | 0 | 126 | ||||
| 900 | Y | 28.9 | Very low | 31.1 | Very low | 198 Ų | 198 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 54.1 | 116.8 | 130.2 | -86.8 | -121.6 | 0 | 0 | 0 | 126.7 | ||||
| 901 | R | 24.6 | Very low | 30.7 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | 36.9 | 158.7 | 127.8 | -72.9 | -172.5 | 179.9 | -112.3 | 2 | 123.3 | |||||
| 902 | P | 36.6 | Very low | 30.5 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -145.3 | -169.1 | -33.9 | 43 | -23.7 | 0 | 0 | 0 | 116 | ||||
| 903 | I | 30.2 | Very low | 30.3 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 93.7 | 112.3 | 154.5 | -73.2 | 170.8 | 0 | 0 | 0 | 121.6 | ||||
| 904 | I | 31.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 55.6 | 140.7 | 140 | -62.3 | 178.8 | 0 | 0 | 0 | 121.5 | ||||
| 905 | S | 30.3 | Very low | 30.6 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -175.4 | 157.1 | -28.6 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 906 | R | 29.5 | Very low | 30.3 | Very low | 224 Ų | 224 | 150.6 Ų | 150.6 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 177.1 | 143.3 | 131.6 | -105.3 | -177.7 | 177.9 | -164.1 | -1.6 | 115.7 | ||||
| 907 | L | 30.3 | Very low | 30 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 64.4 | 137.9 | 154.4 | -65.1 | 161 | 0 | 0 | 0 | 119.6 | ||||
| 908 | G | 29.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 151.6 Ų | 151.6 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 172.6 | -31.7 | 171 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 909 | N | 30.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 53.9 | 145.1 | 173.8 | -96 | 40.8 | 0 | 0 | 0 | 123.3 | ||||
| 910 | N | 30.8 | Very low | 30 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 83.7 | 136.5 | 154 | -67.4 | 11.7 | 0 | 0 | 0 | 121.6 | ||||
| 911 | Q | 26.7 | Very low | 30 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -111.1 | 160.7 | 171.3 | -57.8 | 179.6 | -9.3 | 0 | 0 | 110 | ||||
| 912 | H | 26.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | 173.7 | 155.6 | 110 | -108.4 | 14.8 | 0 | 0 | 0 | 110.1 | |||||
| 913 | Y | 28.7 | Very low | 29.8 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 166 | 158.1 | 156.3 | -88.6 | -36.1 | 0 | 0 | 0 | 110.2 | ||||
| 914 | P | 37.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | -140.5 | -165.4 | -59 | 26.8 | -3.4 | 0 | 0 | 0 | 115.4 | |||||
| 915 | I | 32.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | trans | 109.5 | 100.1 | 143.1 | -47.3 | -172.5 | 0 | 0 | 0 | 116.9 | ||||
| 916 | S | 26.4 | Very low | 30.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -152.8 | 146.4 | 134.8 | 58.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 917 | G | 29.5 | Very low | 30.7 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 84.7 | 84.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 918 | L | 30.3 | Very low | 30.6 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | trans | -66 | 124.1 | 140.3 | -72 | 166.8 | 0 | 0 | 0 | 106.5 | ||||
| 919 | T | 27.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | 50.4 | 127.5 | 78.1 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 920 | S | 30.7 | Very low | 31.3 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | -177.6 | 177.3 | 0.5 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 921 | N | 28.7 | Very low | 31.5 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 76.2 | 148 | 146.1 | -65.6 | -11.1 | 0 | 0 | 0 | 119.4 | ||||
| 922 | L | 30.7 | Very low | 31.8 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | cis | -160.9 | 130.4 | -11.9 | -109.4 | 166 | 0 | 0 | 0 | 112.2 | ||||
| 923 | N | 27.7 | Very low | 32.1 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | 74.6 | 176.9 | 125.8 | -120.3 | 18.5 | 0 | 0 | 0 | 121.3 | |||||
| 924 | P | 43 | Very low | 32.4 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | -139.6 | -161.3 | -105.2 | 46.1 | -26.3 | 0 | 0 | 0 | 114.3 | |||||
| 925 | N | 31.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | -176.4 | 156.1 | 121.1 | -102.9 | -37.5 | 0 | 0 | 0 | 117.8 | |||||
| 926 | Y | 32.2 | Very low | 32.1 | Very low | 187 Ų | 187 | 114.9 Ų | 114.9 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | trans | 52.6 | 96.9 | 162 | -62.6 | -61.2 | 0 | 0 | 0 | 120.7 | ||||
| 927 | N | 33 | Very low | 32.3 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | 111 | 163.3 | 94.1 | -83.7 | 2 | 0 | 0 | 0 | 112.6 | |||||
| 928 | G | 28.1 | Very low | 32.2 | Very low | 66 Ų | 66 | 113.6 Ų | 113.6 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | cis | 122 | 149 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 929 | P | 43.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | cis | -141.6 | 162.3 | -2.1 | 42.7 | -24.6 | 0 | 0 | 0 | 119.1 | ||||
| 930 | L | 32.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | 54.2 | 154.8 | 149 | -91.8 | 63.6 | 0 | 0 | 0 | 121.9 | ||||
| 931 | S | 34.1 | Very low | 32.7 | Very low | 61 Ų | 61 | 117.7 Ų | 117.7 | 43% | 0.427 | 70% | 0.698 | S | S | . | * | cis | -157.1 | -176.3 | -2.6 | 48.1 | 0 | 0 | 0 | 0 | 108.3 | P783 S784 | P783-S931 WeakPolarHBondContact CB-O 3.25Å; S784-S931 CarbonylContact O-C 3.33Å; S784-S931 WeakPolarHBondContact O-CA 3.43Å; S784-S931 WeakPolarHBondContact O-CB 3.02Å | ||
| 932 | T | 33.3 | Very low | 32.6 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 49% | 0.485 | 70% | 0.704 | S | S | . | * | cis | -142.7 | -178.9 | 24.1 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | S784 L785 | S784-T932 VanDerWaalsContact C-CA 3.42Å; S784-T932 CarbonylContact C-O 3.21Å; S784-T932 WeakPolarHBondContact CA-O 3.27Å; S784-T932 PolarHBondContact N-O 3.34Å; S784-T932 CarbonylContact O-C 3.55Å; S784-T932 WeakPolarHBondContact O-CA 3.34Å; S784-T932 PolarHBondContact O-N 3.03Å; L785-T932 CarbonylContact O-C 3.52Å; L785-T932 VanDerWaalsContact O-C 3.23Å; L785-T932 WeakPolarHBondContact O-CA 3.28Å | ||
| 933 | L | 32.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | trans | -25.9 | 156.6 | 162.9 | -72.6 | 135.2 | 0 | 0 | 0 | 117.8 | L785 | L785-L933 WeakPolarHBondContact O-CG 3.36Å; L785-L933 PolarHBondContact O-N 2.92Å | ||
| 934 | S | 33.9 | Very low | 32.4 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | -175.5 | -165.2 | -2 | 57.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 935 | N | 33 | Very low | 31.6 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | cis | -169.6 | 171.5 | -8.7 | -120.9 | 20.8 | 0 | 0 | 0 | 106.2 | ||||
| 936 | T | 31.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | cis | -172.6 | 137.1 | -32.9 | 28.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 937 | G | 30 | Very low | 31.1 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 92% | 0.918 | 73% | 0.727 | S | S | * | * | trans | 89.2 | 148.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 938 | G | 28 | Very low | 30.8 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | cis | 179.5 | 139.3 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 939 | P | 41.5 | Very low | 30.8 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -117.1 | 163.4 | -171.8 | 41.3 | -33.5 | 0 | 0 | 0 | 116.4 | ||||
| 940 | T | 28.8 | Very low | 30 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | -152.2 | 125.7 | 168 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 941 | Y | 28.5 | Very low | 30.4 | Very low | 199 Ų | 199 | 131.1 Ų | 131.1 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | 36 | 144.3 | 132 | -51.4 | -63.6 | 0 | 0 | 0 | 122.1 | ||||
| 942 | E | 26.6 | Very low | 30.2 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | cis | -166.6 | -166.5 | -15.8 | -149.7 | 167 | -146.6 | 0 | 0 | 110.2 | ||||
| 943 | M | 27 | Very low | 29.9 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -103.7 | 150.3 | -170.7 | -42.5 | 174.6 | -161.7 | 0 | 0 | 114.9 | ||||
| 944 | H | 26.6 | Very low | 29.8 | Very low | 171 Ų | 171 | 138 Ų | 138 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | -179.4 | 158 | 117.3 | -103.7 | 71.3 | 0 | 0 | 0 | 118.9 | |||||
| 945 | T | 27.8 | Very low | 29.8 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -31.1 | 131.5 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 946 | K | 27.2 | Very low | 29.7 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | 55.3 | 127.7 | 120.9 | -121.3 | -175 | -175.7 | 178 | 0 | 124.2 | |||||
| 947 | M | 25.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 77% | 0.768 | 76% | 0.758 | S | S | * | * | trans | 101.1 | 107.4 | 146.7 | -61.4 | -132.9 | -69.2 | 0 | 0 | 122.1 | ||||
| 948 | H | 25.6 | Very low | 30 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 54.6 | 108.1 | 136.7 | -89.8 | -81 | 0 | 0 | 0 | 122 | ||||
| 949 | I | 27.9 | Very low | 30.3 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | -177.9 | 151 | 104 | -92.6 | 159 | 0 | 0 | 0 | 110.6 | |||||
| 950 | L | 28.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -86.7 | 168.3 | 177.2 | -102 | 88.1 | 0 | 0 | 0 | 111.5 | ||||
| 951 | P | 39.6 | Very low | 30 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | cis | -152.4 | 170.8 | 44.7 | 40.8 | -18.4 | 0 | 0 | 0 | 120.3 | ||||
| 952 | N | 30 | Very low | 30.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | trans | 50.8 | 146 | 142.2 | -67 | 42.7 | 0 | 0 | 0 | 122 | ||||
| 953 | D | 28.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | cis | -149.6 | -133.7 | -11.4 | -86.4 | -29.9 | 0 | 0 | 0 | 107.1 | ||||
| 954 | I | 30.5 | Very low | 30.3 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | cis | -165.6 | 149.9 | -2 | -153.2 | 167.8 | 0 | 0 | 0 | 111.7 | ||||
| 955 | I | 32.7 | Very low | 30.1 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | 61.6 | 138.6 | 159.7 | -78.4 | 158.7 | 0 | 0 | 0 | 118.4 | ||||
| 956 | N | 32.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -171.8 | 172 | -13.3 | -97.3 | 0.4 | 0 | 0 | 0 | 105.8 | ||||
| 957 | N | 33.4 | Very low | 30 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | cis | -148.2 | -144.1 | -6.4 | -127.3 | 44.9 | 0 | 0 | 0 | 106.5 | ||||
| 958 | N | 33.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | cis | -160.5 | 167.1 | 4.2 | -147.9 | 15 | 0 | 0 | 0 | 111.7 | ||||
| 959 | N | 33 | Very low | 30.1 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 58.9 | 140.7 | 161 | -66.2 | 3.3 | 0 | 0 | 0 | 120.4 | ||||
| 960 | S | 33.2 | Very low | 30.1 | Very low | 84 Ų | 84 | 135.3 Ų | 135.3 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | cis | 178.8 | 143.5 | -31 | 43.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 961 | N | 32.1 | Very low | 30 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 73.9 | 153.1 | 159.1 | -52.2 | -13.3 | 0 | 0 | 0 | 119.1 | ||||
| 962 | S | 30.8 | Very low | 29.3 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | cis | -173.6 | 127.7 | -27.1 | 54.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 963 | E | 29.7 | Very low | 29.6 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | trans | 54.6 | -166.1 | 143.9 | -54.5 | -158.7 | 140.2 | 0 | 0 | 123.3 | ||||
| 964 | Q | 27 | Very low | 29.6 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | -141.8 | 154 | -142.1 | -75.5 | -172 | -9 | 0 | 0 | 117.8 | ||||
| 965 | F | 23.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | trans | 30.6 | 119.3 | 146.8 | -76.6 | -83.7 | 0 | 0 | 0 | 124 | ||||
| 966 | Y | 27 | Very low | 29.2 | Very low | 224 Ų | 224 | 135.3 Ų | 135.3 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | -147.1 | 137 | 134.4 | -91.6 | -93.4 | 0 | 0 | 0 | 105.7 | ||||
| 967 | S | 25.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | 71.1 | 123.2 | 45.6 | -154.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 968 | S | 26.6 | Very low | 28.6 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | cis | -175.6 | 151.8 | -0.8 | 45.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 969 | T | 26.2 | Very low | 28.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | 62.8 | 166.8 | 160.6 | 62.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 970 | V | 28 | Very low | 28 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | cis | -139.4 | 141.9 | 8.2 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 971 | N | 25.9 | Very low | 27.8 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | 170.7 | 121.8 | 134.6 | -88.4 | -17.6 | 0 | 0 | 0 | 114.1 | ||||
| 972 | Q | 24.8 | Very low | 27.6 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -109.4 | 171.2 | 154.6 | -90 | -174.3 | -7.3 | 0 | 0 | 106.6 | ||||
| 973 | P | 37.3 | Very low | 28 | Very low | 103 Ų | 103 | 144 Ų | 144 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -155.3 | -176.2 | 35.6 | 45.6 | -23.6 | 0 | 0 | 0 | 119.3 | ||||
| 974 | N | 27.9 | Very low | 28 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 59.6 | 122.5 | 143.2 | -66.1 | -6 | 0 | 0 | 0 | 124.8 | ||||
| 975 | A | 29.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | 61.9 | 109.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 976 | A | 25.7 | Very low | 28.8 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 63.6 | 129 | 123.4 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 977 | T | 26.6 | Very low | 29 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 68.4 | 128.4 | 149.9 | 53.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 978 | G | 26.8 | Very low | 29.2 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 166.5 | 98.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 979 | F | 28 | Very low | 29.5 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -18.1 | 141.9 | 169.3 | -68.3 | -90.4 | 0 | 0 | 0 | 125.3 | ||||
| 980 | L | 25.2 | Very low | 29.8 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | 39 | 131.4 | 134.5 | -62.2 | 170.9 | 0 | 0 | 0 | 123.4 | ||||
| 981 | F | 29 | Very low | 29.9 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | -175.3 | 176 | 93.9 | -106.4 | -75.6 | 0 | 0 | 0 | 113.7 | |||||
| 982 | L | 27.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -112 | 165.6 | -169.1 | -77.5 | 162.1 | 0 | 0 | 0 | 114 | ||||
| 983 | P | 41.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | -138.7 | -164.7 | 106.4 | 37.6 | -23.3 | 0 | 0 | 0 | 115.4 | |||||
| 984 | R | 28.2 | Very low | 30.5 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -152.9 | 175.2 | -153.9 | -167.1 | -179.2 | -178.3 | -169.1 | 3.3 | 113.6 | ||||
| 985 | S | 33.5 | Very low | 30.5 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 90.7 | 150.9 | 170.4 | 82 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 986 | Q | 34.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -160.4 | 177 | -7.6 | -130.7 | -176.5 | 4.1 | 0 | 0 | 107.8 | ||||
| 987 | I | 31 | Very low | 30.6 | Very low | 148 Ų | 148 | 135 Ų | 135 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | cis | -150.6 | -152.2 | -1.2 | -163.9 | 163 | 0 | 0 | 0 | 107.7 | ||||
| 988 | G | 29.7 | Very low | 30.7 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | 175.8 | -37.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 989 | N | 32.7 | Very low | 30.6 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 67.7 | 137.4 | 173.4 | -91.8 | 1.5 | 0 | 0 | 0 | 123.7 | ||||
| 990 | F | 32.3 | Very low | 30.7 | Very low | 198 Ų | 198 | 135.2 Ų | 135.2 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | 53.9 | 139.5 | 155 | -66.5 | -68.7 | 0 | 0 | 0 | 123.1 | ||||
| 991 | G | 31.3 | Very low | 30.6 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | 166.9 | 159.3 | -10.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 992 | G | 32.5 | Very low | 30.4 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | trans | 89.1 | 141.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 993 | G | 32.9 | Very low | 30.2 | Very low | 72 Ų | 72 | 132.5 Ų | 132.5 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | cis | 168.9 | 142.1 | -12.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 994 | E | 33.1 | Very low | 29.5 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 97% | 0.972 | 78% | 0.778 | S | S | * | * | trans | 60 | 157 | 154.6 | -59.2 | 174.5 | -172 | 0 | 0 | 119.8 | ||||
| 995 | G | 29.7 | Very low | 29.5 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | cis | -160.9 | -162.8 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 996 | G | 28.4 | Very low | 29.1 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | cis | -172.3 | 3.6 | 1.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 997 | T | 27.3 | Very low | 28.7 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | 70 | 156.1 | 179.8 | 73 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 998 | I | 28.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | 179.1 | 129.6 | 128 | -94 | 163.3 | 0 | 0 | 0 | 115 | |||||
| 999 | M | 26.6 | Very low | 28.5 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 49.9 | 137.7 | 152.2 | -74.2 | -166.7 | -78 | 0 | 0 | 127 | ||||
| 1000 | N | 28.2 | Very low | 28.6 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 75 | 148.9 | 136.6 | -75 | -19.8 | 0 | 0 | 0 | 121.2 | ||||
| 1001 | R | 23.9 | Very low | 28.4 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -171 | 159.6 | -29.3 | -136.4 | -176.7 | -172.3 | -150.7 | 2.7 | 108.4 | ||||
| 1002 | M | 25.7 | Very low | 28.2 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 66.6 | 155 | 157.9 | -72.9 | 154 | 159 | 0 | 0 | 118.3 | ||||
| 1003 | S | 23.2 | Very low | 28 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | cis | -176.5 | 156.3 | -38.3 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 1004 | F | 24.9 | Very low | 27.7 | Very low | 188 Ų | 188 | 141 Ų | 141 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 68.4 | 127.1 | 162.9 | -56.1 | -66.4 | 0 | 0 | 0 | 120.2 | ||||
| 1005 | P | 29.1 | Very low | 27.6 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -109.6 | 134.8 | 149.1 | 34.6 | -24.5 | 0 | 0 | 0 | 111.4 | ||||
| 1006 | T | 25.6 | Very low | 27.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -170.4 | 140.9 | 158.1 | -0.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1007 | N | 26.2 | Very low | 27.5 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 67.8 | 149 | 158.8 | -52.6 | -26 | 0 | 0 | 0 | 117.2 | ||||
| 1008 | Q | 29.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | cis | -134.4 | 144.1 | 5 | -65.8 | 173.6 | -31.5 | 0 | 0 | 111.4 | ||||
| 1009 | F | 26.4 | Very low | 27.2 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | -172.8 | 150.4 | 119.6 | -100.2 | -74.9 | 0 | 0 | 0 | 107.9 | |||||
| 1010 | P | 35.1 | Very low | 27.4 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -107.3 | 155.2 | -156.1 | 39.5 | -33.9 | 0 | 0 | 0 | 117 | ||||
| 1011 | Q | 28.1 | Very low | 27.2 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | 13.8 | 147.1 | 128.4 | -59.9 | -170.1 | 11.9 | 0 | 0 | 119.1 | |||||
| 1012 | L | 27.8 | Very low | 27.3 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | cis | -172.4 | 169.8 | 2.6 | -106.7 | 171.9 | 0 | 0 | 0 | 106.9 | ||||
| 1013 | N | 28.4 | Very low | 27.4 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 58% | 0.583 | 76% | 0.761 | S | S | * | * | cis | -153.2 | -179.5 | -0.3 | -162.2 | 16.6 | 0 | 0 | 0 | 111.9 | ||||
| 1014 | H | 26.9 | Very low | 27.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | 4.2 | 123.1 | 157.5 | -67 | 4.3 | 0 | 0 | 0 | 120.9 | ||||
| 1015 | N | 29.9 | Very low | 27.6 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | -176.3 | 156.2 | 104.9 | -95.2 | -24.3 | 0 | 0 | 0 | 112.1 | |||||
| 1016 | G | 27.6 | Very low | 27.6 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 90 | 88.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1017 | F | 28.1 | Very low | 27.6 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -94.8 | 136.8 | 173.2 | -97.4 | -67.8 | 0 | 0 | 0 | 112.6 | ||||
| 1018 | I | 28.9 | Very low | 27.6 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | 66.2 | 128.4 | 141.4 | -76 | 161 | 0 | 0 | 0 | 119.9 | V1020 | I1018-V1020 HydrophobicContact CG2-CG2 3.53Š| ||
| 1019 | S | 21.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -95.2 | 135.1 | 156 | 166.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1020 | V | 29.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -135.3 | 143.7 | 164.3 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | I1018 | I1018-V1020 HydrophobicContact CG2-CG2 3.53Š| ||
| 1021 | T | 25 | Very low | 27.2 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | trans | -93.9 | 162.2 | -175.1 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1022 | S | 24.6 | Very low | 27.3 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | 76.5 | 142.2 | 161.9 | 77.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1023 | G | 27.9 | Very low | 27.2 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | 146.3 | 73.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1024 | D | 26.5 | Very low | 27.3 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -70.7 | 137.7 | 177 | -58.5 | -75.7 | 0 | 0 | 0 | 112.8 | ||||
| 1025 | L | 27.4 | Very low | 27.4 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -171.2 | 156.3 | 135.8 | -106.5 | 163.7 | 0 | 0 | 0 | 112.7 | ||||
| 1026 | Y | 27.7 | Very low | 27.2 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 140.7 | -171.7 | -107.2 | -109.6 | 0 | 0 | 0 | 114.2 | ||||
| 1027 | N | 26.2 | Very low | 27.7 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 80% | 0.802 | S | S | * | * | trans | 22.1 | 107.9 | 148.6 | -66.8 | -15.9 | 0 | 0 | 0 | 119.7 | ||||
| 1028 | I | 25.7 | Very low | 27.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -130.5 | 105 | 131.5 | -57.3 | -179.3 | 0 | 0 | 0 | 108.4 | ||||
| 1029 | Y | 27.1 | Very low | 27.8 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -117.7 | 100 | 164 | -97.2 | -72.5 | 0 | 0 | 0 | 109.1 | ||||
| 1030 | Q | 25.5 | Very low | 28.2 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -148.7 | 82.3 | 161.9 | -138.6 | -178.9 | 36.1 | 0 | 0 | 110.4 | ||||
| 1031 | T | 29.5 | Very low | 28.1 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -80 | 121.8 | 161.8 | 48 | 0 | 0 | 0 | 0 | 109 | G1033 | T1031-G1033 PolarHBondContact O-N 3.38Š| ||
| 1032 | T | 30.4 | Very low | 28.1 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -17.1 | 125 | 150.8 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1033 | G | 26.9 | Very low | 28.1 | Very low | 68 Ų | 68 | 148.9 Ų | 148.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | 107.6 | 131.8 | 12.9 | 0 | 0 | 0 | 0 | 0 | 111 | T1031 | T1031-G1033 PolarHBondContact O-N 3.38Š| ||
| 1034 | I | 30.8 | Very low | 28.2 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -157 | 135.2 | 172.3 | -103.4 | 152 | 0 | 0 | 0 | 109.6 | ||||
| 1035 | N | 28.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | 57.8 | 119.2 | 167.7 | -62.6 | -10.9 | 0 | 0 | 0 | 120.6 | ||||
| 1036 | L | 26 | Very low | 28.3 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -104 | 175.4 | 176.8 | -86.1 | 167.5 | 0 | 0 | 0 | 111.7 | ||||
| 1037 | P | 36.9 | Very low | 28.3 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -113.3 | -167.4 | -157.7 | 44.4 | -38.1 | 0 | 0 | 0 | 115.8 | ||||
| 1038 | I | 29.1 | Very low | 28.4 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -133 | 138 | 173.2 | -69.7 | 174.5 | 0 | 0 | 0 | 106.5 | ||||
| 1039 | Q | 31.2 | Very low | 28.4 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | cis | -149.1 | 152.8 | -11.3 | -124.4 | 173.7 | -19.8 | 0 | 0 | 111.6 | ||||
| 1040 | S | 29.2 | Very low | 28.3 | Very low | 89 Ų | 89 | 151 Ų | 151 | 62% | 0.622 | 81% | 0.811 | S | S | * | * | trans | -22.5 | 145.2 | 161.5 | 53.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1041 | N | 27.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | -137.2 | 147.3 | 112.5 | -116.4 | -22.6 | 0 | 0 | 0 | 110.4 | |||||
| 1042 | L | 25.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 72% | 0.723 | 82% | 0.82 | S | S | * | * | trans | -136.3 | 155.7 | -169.7 | -143.7 | 78.9 | 0 | 0 | 0 | 110.8 | ||||
| 1043 | Q | 25.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | 56.7 | 105.6 | 161.7 | -67 | 169.4 | -63.7 | 0 | 0 | 118.8 | ||||
| 1044 | T | 30.3 | Very low | 27.7 | Very low | 138 Ų | 138 | 161.6 Ų | 161.6 | 85% | 0.847 | 83% | 0.826 | S | S | * | * | -142.1 | 146.1 | 127.1 | -28.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1045 | S | 26.7 | Very low | 27.4 | Very low | 84 Ų | 84 | 161.5 Ų | 161.5 | 59% | 0.587 | 82% | 0.817 | S | S | * | * | trans | 11.6 | 120 | 165.7 | 52.5 | 0 | 0 | 0 | 0 | 118.7 | Q1047 | S1045-Q1047 VanDerWaalsContact C-N 3.35Š| ||
| 1046 | L | 29.4 | Very low | 27.1 | Very low | 187 Ų | 187 | 160 Ų | 160 | 98% | 0.979 | 82% | 0.818 | S | S | * | * | cis | 56.1 | 35.2 | 49.8 | -152 | 87.7 | 0 | 0 | 0 | 114.5 | ||||
| 1047 | Q | 26.8 | Very low | 27 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -148.2 | 55.2 | 172.2 | -153 | 177.2 | 20 | 0 | 0 | 115.1 | S1045 | S1045-Q1047 VanDerWaalsContact C-N 3.35Š| ||
| 1048 | Q | 27.9 | Very low | 26.3 | Very low | 202 Ų | 202 | 161.6 Ų | 161.6 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | trans | -153.8 | 53.3 | 165.9 | -126.4 | 169.5 | 44.3 | 0 | 0 | 114.2 | ||||
| 1049 | Q | 26.2 | Very low | 26.2 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -137.9 | 49.4 | 169 | -154.1 | 175 | 29.3 | 0 | 0 | 112.1 | ||||
| 1050 | Q | 25.2 | Very low | 25.8 | Very low | 191 Ų | 191 | 163.7 Ų | 163.7 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -149.1 | 40.8 | 175.5 | -145.4 | 172.2 | 54.5 | 0 | 0 | 114.1 | ||
| 1051 | Q | 25.5 | Very low | 25.8 | Very low | 190 Ų | 190 | 165.4 Ų | 165.4 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -159.5 | 93.2 | 162.3 | -116.4 | 177.6 | 19.6 | 0 | 0 | 111.7 | ||||
| 1052 | Q | 27.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 164.8 Ų | 164.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -172.1 | 66.1 | 149.6 | -106.5 | 172.1 | 21 | 0 | 0 | 110 | ||||
| 1053 | Q | 24.7 | Very low | 25.7 | Very low | 196 Ų | 196 | 166.8 Ų | 166.8 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -137.7 | 57.2 | 165.5 | -84.2 | -161.8 | -21.3 | 0 | 0 | 110.6 | ||||
| 1054 | M | 22.8 | Very low | 25.7 | Very low | 154 Ų | 154 | 169.4 Ų | 169.4 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | -160.1 | 110.4 | 155.3 | -87.6 | -155.3 | -62 | 0 | 0 | 107.6 | ||||
| 1055 | Y | 24.4 | Very low | 25.3 | Very low | 154 Ų | 154 | 171.4 Ų | 171.4 | 60% | 0.604 | 83% | 0.829 | S | S | * | * | trans | -169.1 | 89.6 | 147.5 | -116.1 | -67.3 | 0 | 0 | 0 | 108.6 | L1286 | Y1055-L1286 WeakPolarHBondContact CE1-OXT 3.46Å; Y1055-L1286 PolarHBondContact OH-OXT 2.65Å | ||
| 1056 | C | 21.2 | Very low | 25.2 | Very low | 129 Ų | 129 | 175.2 Ų | 175.2 | 87% | 0.872 | 84% | 0.842 | S | S | * | * | trans | -160 | 55.5 | 179 | -145.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1057 | Q | 23.3 | Very low | 25 | Very low | 156 Ų | 156 | 172.2 Ų | 172.2 | 73% | 0.729 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -162.9 | 149.1 | 158.7 | -115.3 | 172.9 | 36.8 | 0 | 0 | 110.7 | ||
| 1058 | Q | 23.6 | Very low | 24.9 | Very low | 164 Ų | 164 | 174.3 Ų | 174.3 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | trans | 52.1 | 99.2 | 164.7 | -56.2 | -174.3 | 32.3 | 0 | 0 | 118 | ||||
| 1059 | Q | 26.3 | Very low | 24.8 | Very low | 185 Ų | 185 | 172.6 Ų | 172.6 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -127.2 | 125.2 | 138.6 | -74 | -166.6 | -11 | 0 | 0 | 109.3 | ||||
| 1060 | Q | 22.9 | Very low | 24.7 | Very low | 181 Ų | 181 | 167.9 Ų | 167.9 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 151.1 | 161.9 | -70.9 | -176.9 | -21.6 | 0 | 0 | 108.5 | N1062 | Q1060-N1062 PolarHBondContact O-N 3.44Š|
| 1061 | P | 28.7 | Very low | 25 | Very low | 125 Ų | 125 | 165.7 Ų | 165.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.6 | 179.5 | 29.3 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 1062 | N | 26.6 | Very low | 25 | Very low | 155 Ų | 155 | 163.9 Ų | 163.9 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 122.5 | 164.9 | -81.3 | -35.5 | 0 | 0 | 0 | 109.2 | Q1060 Y1064 | Q1060-N1062 PolarHBondContact O-N 3.44Å; N1062-Y1064 PolarHBondContact O-N 3.36Å |
| 1063 | E | 25.2 | Very low | 25.2 | Very low | 180 Ų | 180 | 161.6 Ų | 161.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 119.8 | 178.6 | -65.3 | -171.7 | 113 | 0 | 0 | 111.9 | K1065 | E1063-K1065 VanDerWaalsContact C-N 3.3Å; E1063-K1065 PolarHBondContact O-N 3.26Å |
| 1064 | Y | 24.6 | Very low | 25.4 | Very low | 226 Ų | 226 | 157.3 Ų | 157.3 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 88.1 | 160.2 | -85.7 | -83.3 | 0 | 0 | 0 | 109.6 | N1062 L1066 | N1062-Y1064 PolarHBondContact O-N 3.36Å; Y1064-L1066 VanDerWaalsContact C-N 3.25Å; Y1064-L1066 PolarHBondContact O-N 3.03Å | ||
| 1065 | K | 22.8 | Very low | 25.4 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -70 | 77.6 | 176.5 | -169.8 | 174.6 | -176.6 | 173.6 | 0 | 111.2 | E1063 I1067 | E1063-K1065 VanDerWaalsContact C-N 3.3Å; E1063-K1065 PolarHBondContact O-N 3.26Å; K1065-I1067 PolarHBondContact O-N 3.21Å | ||
| 1066 | L | 24.7 | Very low | 25.5 | Very low | 164 Ų | 164 | 158.5 Ų | 158.5 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 101.3 | 174.1 | -102.6 | 164.7 | 0 | 0 | 0 | 110.4 | Y1064 K1068 | Y1064-L1066 VanDerWaalsContact C-N 3.25Å; Y1064-L1066 PolarHBondContact O-N 3.03Å; L1066-K1068 PolarHBondContact O-N 2.99Å | ||
| 1067 | I | 25.3 | Very low | 25.8 | Very low | 124 Ų | 124 | 160.5 Ų | 160.5 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -70.2 | 111.2 | 171.9 | -63.2 | 173.6 | 0 | 0 | 0 | 108 | K1065 Q1069 | K1065-I1067 PolarHBondContact O-N 3.21Å; I1067-Q1069 HydrophobicContact CG2-CG 3.97Å; I1067-Q1069 PolarHBondContact O-N 3.46Å | ||
| 1068 | K | 22.9 | Very low | 25.8 | Very low | 212 Ų | 212 | 161.1 Ų | 161.1 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 101.4 | 156.6 | -82 | -173.7 | 175.6 | 180 | 0 | 108.1 | L1066 | L1066-K1068 PolarHBondContact O-N 2.99Š| ||
| 1069 | Q | 27.4 | Very low | 25.9 | Very low | 166 Ų | 166 | 158.1 Ų | 158.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -102 | 130.6 | 148.3 | -83.4 | -178.6 | -88.4 | 0 | 0 | 107.5 | I1067 | I1067-Q1069 HydrophobicContact CG2-CG 3.97Å; I1067-Q1069 PolarHBondContact O-N 3.46Å | ||
| 1070 | S | 24.4 | Very low | 25.7 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | -64 | 149.3 | 150.7 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1071 | D | 30 | Very low | 26 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | -172.4 | 148.5 | 119.4 | -84.4 | -13.7 | 0 | 0 | 0 | 108.3 | |||||
| 1072 | D | 26.2 | Very low | 25.7 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -78.2 | 141.5 | -175.2 | -62.5 | -70.6 | 0 | 0 | 0 | 112.3 | ||||
| 1073 | N | 30.6 | Very low | 25.8 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -175.4 | 124.8 | 123.5 | -99.8 | -62.4 | 0 | 0 | 0 | 115.1 | |||||
| 1074 | T | 29.5 | Very low | 25.9 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | 16.6 | 113.1 | 143.6 | 59.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1075 | T | 23.9 | Very low | 26.2 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | 42.5 | 125.5 | 129.4 | 61.7 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1076 | W | 26.2 | Very low | 26.3 | Very low | 225 Ų | 225 | 149.3 Ų | 149.3 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | -174.6 | 160 | 74.2 | -98.8 | 107.8 | 0 | 0 | 0 | 115.4 | |||||
| 1077 | Q | 27.4 | Very low | 26.5 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | 69.4 | 125.3 | 155.4 | -72.3 | -175.6 | 1 | 0 | 0 | 121.5 | ||||
| 1078 | L | 21.9 | Very low | 26.5 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 139.7 | 155.7 | -76.1 | 69.5 | 0 | 0 | 0 | 110.1 | ||||
| 1079 | A | 26.4 | Very low | 26.5 | Very low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -150.5 | 114.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1080 | S | 23.1 | Very low | 26.4 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 130.8 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1081 | T | 27.8 | Very low | 26.7 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 132.7 | 160.9 | 5.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1082 | L | 23.2 | Very low | 26.6 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -84.7 | 144.4 | 179.6 | -59.2 | 81.1 | 0 | 0 | 0 | 110.2 | ||||
| 1083 | S | 29 | Very low | 26.8 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -154.2 | 134.5 | 138.6 | -165 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1084 | N | 26.6 | Very low | 26.7 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -76.9 | 150.8 | 176.2 | -56.5 | -81.9 | 0 | 0 | 0 | 110.5 | ||||
| 1085 | N | 30.1 | Very low | 27.3 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | -156.3 | 166.8 | 117.4 | -116.1 | -37.7 | 0 | 0 | 0 | 114 | |||||
| 1086 | R | 26.4 | Very low | 27.8 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -109.7 | 165.2 | -166.1 | -68 | -177.1 | 172.9 | -179.9 | -3.3 | 114.1 | ||||
| 1087 | Q | 27.9 | Very low | 27.8 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 72.3 | 86.3 | 140.1 | -81.1 | 164.7 | -57.3 | 0 | 0 | 120.5 | ||||
| 1088 | S | 24.9 | Very low | 27.9 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 64.8 | 121.6 | 102.3 | 73.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1089 | M | 24.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 130 Ų | 130 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | 121.4 | 143.7 | 109.5 | -129.1 | -169.2 | -68.5 | 0 | 0 | 119.6 | |||||
| 1090 | I | 25.6 | Very low | 28.7 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | trans | 67.6 | 116 | 161.2 | -14.9 | -175.8 | 0 | 0 | 0 | 120.1 | ||||
| 1091 | I | 30.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | 172 | 126.4 | 108.7 | -85.8 | 167.7 | 0 | 0 | 0 | 111.1 | |||||
| 1092 | N | 27.1 | Very low | 28.7 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 28.8 | 146.3 | 152.5 | -48.1 | -10.7 | 0 | 0 | 0 | 120.7 | ||||
| 1093 | S | 30 | Very low | 28.9 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | cis | -161.2 | -164.5 | 35.6 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1094 | T | 28.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -107 | 166.9 | -156.9 | 40.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1095 | P | 42.4 | Very low | 28.4 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 58% | 0.584 | 73% | 0.73 | S | S | * | * | trans | -104.8 | -176.7 | -168 | 42.8 | -37.2 | 0 | 0 | 0 | 116.1 | ||||
| 1096 | P | 33.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | -136 | 140.8 | 107.9 | 25.6 | -7.1 | 0 | 0 | 0 | 113.5 | |||||
| 1097 | Q | 27.4 | Very low | 28 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 42% | 0.416 | 72% | 0.721 | S | S | . | * | 97 | 140.4 | 50.8 | -74.9 | 151.8 | -123.5 | 0 | 0 | 113.2 | D1276 P1277 | Q1097-D1276 HydrophobicContact CB-CB 4.1Å; Q1097-D1276 WeakPolarHBondContact O-CB 3.42Å; Q1097-D1276 VanDerWaalsContact O-OD1 3.09Å; Q1097-P1277 PolarHBondContact NE2-O 3.36Å | |||
| 1098 | I | 29.9 | Very low | 27.8 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | trans | -167 | 133.7 | 170.5 | -171.5 | 167.1 | 0 | 0 | 0 | 115.4 | D1276 P1277 | I1098-D1276 WeakPolarHBondContact CA-OD1 3.49Å; I1098-P1277 VanDerWaalsContact C-CG 3.42Å; I1098-P1277 VanDerWaalsContact N-CD 3.26Å | ||
| 1099 | S | 26.4 | Very low | 27.8 | Very low | 59 Ų | 59 | 129.9 Ų | 129.9 | 41% | 0.413 | 72% | 0.724 | S | S | . | * | trans | 158.4 | 164.9 | 175.5 | 95.5 | 0 | 0 | 0 | 0 | 110.1 | P1277 | S1099-P1277 WeakPolarHBondContact OG-CB 3.39Å; S1099-P1277 VanDerWaalsContact OG-CG 3.28Å; S1099-P1277 WeakPolarHBondContact OG-CG 3.16Å | ||
| 1100 | P | 37.6 | Very low | 27.9 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | -146.8 | 178.1 | 52.1 | 43.8 | -24.7 | 0 | 0 | 0 | 118.2 | |||||
| 1101 | F | 25.9 | Very low | 27.9 | Very low | 216 Ų | 216 | 134.6 Ų | 134.6 | 95% | 0.947 | 74% | 0.741 | S | S | * | * | trans | -144.2 | 144.9 | 146.3 | -115.2 | -82 | 0 | 0 | 0 | 109.3 | ||||
| 1102 | T | 25.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -142.7 | 139.1 | -174.2 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1103 | E | 26.7 | Very low | 27.9 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | -155.8 | 164.7 | 148.3 | -132.5 | 167.9 | -145.1 | 0 | 0 | 112.3 | ||||
| 1104 | Q | 25.5 | Very low | 28 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -129.8 | 136.3 | -175.8 | -71 | -176.7 | -35.3 | 0 | 0 | 111.6 | ||||
| 1105 | C | 21.5 | Very low | 28.1 | Very low | 113 Ų | 113 | 130 Ų | 130 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | 34.7 | 109.4 | 143.9 | -51.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1106 | L | 24.1 | Very low | 27.6 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | 176 | 158.1 | 101.9 | -92.9 | 161.2 | 0 | 0 | 0 | 114.7 | |||||
| 1107 | D | 23 | Very low | 27.5 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | 46 | 94.7 | 152 | -64.1 | -11.4 | 0 | 0 | 0 | 123 | ||||
| 1108 | S | 24.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | 77.9 | 139.2 | 116.4 | 78.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 1109 | S | 24.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | 72.2 | 106.4 | 152.1 | 62.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1110 | W | 26.8 | Very low | 28.5 | Very low | 252 Ų | 252 | 136.1 Ų | 136.1 | 96% | 0.955 | 75% | 0.749 | S | S | * | * | 37.8 | 123.7 | 125.1 | -73.9 | 71.3 | 0 | 0 | 0 | 120.4 | |||||
| 1111 | T | 24.9 | Very low | 28.4 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | -139.1 | 151.4 | 151.1 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1112 | G | 27.4 | Very low | 28.8 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | 127.9 | 108.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1113 | T | 29.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | cis | -168.4 | 159.6 | -5.3 | -1.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1114 | V | 32.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | cis | -161.4 | 169.4 | 3.2 | 65.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1115 | N | 30.6 | Very low | 30 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 72.5 | 148.5 | 160.6 | -78.9 | -24.1 | 0 | 0 | 0 | 119.3 | ||||
| 1116 | N | 32.3 | Very low | 30.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | cis | -167.4 | 175 | -28 | -147.5 | -29.1 | 0 | 0 | 0 | 110.1 | ||||
| 1117 | N | 32.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | trans | 73.9 | 114.1 | 169.8 | -62.1 | -33.1 | 0 | 0 | 0 | 115.7 | ||||
| 1118 | N | 34.4 | Very low | 31.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | 81.5 | 138.5 | 71.2 | -68.6 | -15.4 | 0 | 0 | 0 | 112.4 | |||||
| 1119 | N | 34.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | cis | -161.7 | 160.2 | 8.2 | -125 | -3 | 0 | 0 | 0 | 112.9 | ||||
| 1120 | N | 34.9 | Very low | 32 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | 63.8 | 137 | 155.1 | -56.1 | -6.6 | 0 | 0 | 0 | 118 | ||||
| 1121 | N | 34.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | cis | -155.1 | -172.3 | 1.6 | -116.4 | 34.5 | 0 | 0 | 0 | 108 | ||||
| 1122 | N | 35.2 | Very low | 32.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 65% | 0.647 | 70% | 0.698 | S | S | * | * | cis | -158.9 | 170.5 | 23.3 | -150.2 | 14.4 | 0 | 0 | 0 | 113.5 | ||||
| 1123 | N | 34.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | -21.3 | 155 | 154.3 | -59.6 | -15.3 | 0 | 0 | 0 | 119 | ||||
| 1124 | N | 33.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 66% | 0.658 | 69% | 0.691 | S | S | * | * | cis | -169.7 | 147.6 | -13.1 | -104.1 | -21.1 | 0 | 0 | 0 | 112.1 | ||||
| 1125 | N | 34 | Very low | 32.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | trans | 48.9 | 115.4 | 142.1 | -60.3 | -12.1 | 0 | 0 | 0 | 123.8 | ||||
| 1126 | N | 33.5 | Very low | 32.1 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | 76.3 | 115 | 121 | -57.2 | -8.5 | 0 | 0 | 0 | 123.3 | |||||
| 1127 | N | 31.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | 49.4 | 118.1 | 120.7 | -51.6 | -5 | 0 | 0 | 0 | 118.9 | |||||
| 1128 | N | 31.6 | Very low | 31.7 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | -173.5 | 137.5 | 60.8 | -101.4 | -32.5 | 0 | 0 | 0 | 115.1 | |||||
| 1129 | S | 30.6 | Very low | 31.3 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | 21.3 | 133.2 | 145.2 | -52.9 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1130 | H | 31.9 | Very low | 31.1 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | 75 | 151.3 | 155.4 | -53.1 | -43.6 | 0 | 0 | 0 | 117.6 | ||||
| 1131 | R | 28.3 | Very low | 30.7 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | cis | -158 | 133.6 | 25.5 | -166.7 | 176.9 | -177.4 | -166.1 | 0.7 | 113.9 | ||||
| 1132 | I | 28.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 68% | 0.677 | 74% | 0.735 | S | S | * | * | trans | 44.2 | 124.6 | 145.3 | -52.7 | 171.8 | 0 | 0 | 0 | 118.6 | ||||
| 1133 | T | 30.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | -168.1 | 143.1 | 86.8 | 35.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1134 | N | 28.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | 63.5 | 153.1 | 136.7 | -60.5 | 4.5 | 0 | 0 | 0 | 121.7 | ||||
| 1135 | M | 28.2 | Very low | 29.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | cis | -165.4 | 154.5 | -17.2 | -109.5 | 169.7 | -177.9 | 0 | 0 | 111.6 | ||||
| 1136 | T | 30 | Very low | 28.9 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 49.2 | 116.6 | 149.2 | 59.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1137 | D | 24.7 | Very low | 28.6 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | 48.1 | 128.7 | 120.3 | -46.7 | -44.5 | 0 | 0 | 0 | 122.9 | |||||
| 1138 | T | 31 | Very low | 28.3 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | -175.6 | 151.2 | 103.5 | 23.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1139 | N | 26.5 | Very low | 28.1 | Very low | 167 Ų | 167 | 149 Ų | 149 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -109.4 | 119.6 | 172.5 | -95.9 | -36 | 0 | 0 | 0 | 110.6 | ||||
| 1140 | I | 30.6 | Very low | 27.8 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -142.6 | 129.7 | 163 | -65.9 | -172.8 | 0 | 0 | 0 | 110 | ||||
| 1141 | M | 26.4 | Very low | 27.9 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 94% | 0.941 | 79% | 0.786 | S | S | * | * | trans | -80.3 | 146.2 | 167.1 | -67.9 | 162.3 | 73.5 | 0 | 0 | 109.8 | ||||
| 1142 | G | 26.6 | Very low | 27.8 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | cis | 151.4 | 171.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1143 | T | 29.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -164.5 | 161 | 162.7 | -1.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1144 | M | 24.2 | Very low | 27.6 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -88.3 | 149.5 | -169.9 | -58.4 | 172.9 | 178.5 | 0 | 0 | 114.1 | ||||
| 1145 | K | 26.6 | Very low | 27.6 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -153.1 | 150.4 | 135.6 | -121 | 174.5 | -175.3 | 178.1 | 0 | 111.1 | ||||
| 1146 | A | 26.4 | Very low | 27.6 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -129 | 149.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1147 | N | 27.4 | Very low | 27.6 | Very low | 126 Ų | 126 | 147 Ų | 147 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | trans | 69 | 144.6 | 156.9 | -60.5 | 1.2 | 0 | 0 | 0 | 121.9 | ||||
| 1148 | Y | 25.2 | Very low | 27.8 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | 97.4 | 131.5 | 155 | -52.9 | -62.2 | 0 | 0 | 0 | 116.1 | ||||
| 1149 | F | 27.9 | Very low | 27.9 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | -153 | 160.9 | 51.7 | -105.3 | -89.1 | 0 | 0 | 0 | 116.1 | |||||
| 1150 | L | 24.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 156.6 | 157.2 | -83.4 | 159.4 | 0 | 0 | 0 | 109.6 | ||
| 1151 | P | 33.8 | Very low | 28 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 157.4 | 179.4 | 29.7 | -34.3 | 0 | 0 | 0 | 114 | ||
| 1152 | I | 26.6 | Very low | 28.2 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 147.2 | -166.5 | -66.3 | 154.6 | 0 | 0 | 0 | 112.2 | ||
| 1153 | M | 27.8 | Very low | 28.5 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -151.8 | 145.2 | 133.2 | -81.7 | -140.5 | -170.9 | 0 | 0 | 112.1 | ||||
| 1154 | N | 26.3 | Very low | 28.7 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -100.9 | -170.4 | 173.7 | -67.6 | -35.8 | 0 | 0 | 0 | 108.6 | ||||
| 1155 | T | 29.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | cis | -167.9 | 152.8 | 37.7 | 45.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1156 | S | 28.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | 67.8 | 163.3 | 140.7 | 70.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1157 | T | 29.9 | Very low | 29.9 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | cis | -111.3 | -153.2 | -0.5 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1158 | T | 29.9 | Very low | 30 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | cis | -164.4 | 173.6 | 5.9 | -15.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1159 | L | 31.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 66.7 | 90.3 | 162.3 | -77 | 153.5 | 0 | 0 | 0 | 115.1 | ||||
| 1160 | D | 27.4 | Very low | 30.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | cis | 100.5 | 151.5 | 23.5 | -61.8 | -57.6 | 0 | 0 | 0 | 116.3 | ||||
| 1161 | N | 32 | Very low | 31.3 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | 86.1 | 135.3 | 169.7 | -65.5 | -43.7 | 0 | 0 | 0 | 119 | ||||
| 1162 | N | 32.1 | Very low | 31.1 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | cis | -164.2 | -177.6 | -22.7 | -148.3 | -71.1 | 0 | 0 | 0 | 109.2 | ||||
| 1163 | N | 33 | Very low | 31.3 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 72.7 | 148.5 | 175.1 | -66 | -82.5 | 0 | 0 | 0 | 116.3 | ||||
| 1164 | N | 33.2 | Very low | 31.5 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | cis | -165.4 | -170.4 | -33.9 | -123.4 | -36.3 | 0 | 0 | 0 | 106.8 | ||||
| 1165 | N | 32.2 | Very low | 31.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | cis | -153.2 | 166.3 | 13.2 | -144.8 | -3.3 | 0 | 0 | 0 | 111.3 | ||||
| 1166 | N | 33 | Very low | 31.8 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | trans | 81.4 | 119.4 | 158.3 | -60.1 | -12.6 | 0 | 0 | 0 | 121.6 | ||||
| 1167 | N | 36.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | 91.3 | 79.4 | 138.5 | -57.8 | -9.2 | 0 | 0 | 0 | 122.5 | ||||
| 1168 | N | 31.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | 27.3 | 157.3 | 109.6 | -89.4 | -0.2 | 0 | 0 | 0 | 121.9 | |||||
| 1169 | P | 40.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | cis | -152.6 | -174.2 | -29.5 | 43.4 | -24.5 | 0 | 0 | 0 | 117.4 | ||||
| 1170 | K | 30.8 | Very low | 31.1 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | 89.1 | 125.5 | 144.2 | -78.8 | -165.2 | 171.9 | -168.4 | 0 | 123.6 | ||||
| 1171 | H | 31.7 | Very low | 31 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 128.9 | 139 | -85.7 | -89.5 | 0 | 0 | 0 | 123.3 | ||||
| 1172 | D | 29.8 | Very low | 30.8 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | 65.4 | 147 | 141.6 | -54.6 | -16.7 | 0 | 0 | 0 | 119.3 | ||||
| 1173 | E | 30.5 | Very low | 30.6 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -152.4 | 168.3 | 12.8 | -141.7 | -166.3 | 135.7 | 0 | 0 | 113.2 | ||||
| 1174 | Q | 33.4 | Very low | 30.4 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 62% | 0.621 | 74% | 0.744 | S | S | * | * | trans | 70.1 | 121.5 | 155.1 | -67.2 | 178.4 | 25.9 | 0 | 0 | 123.7 | ||||
| 1175 | Q | 30.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | 63.4 | 96.5 | 139.2 | -59.1 | 177.9 | 32.8 | 0 | 0 | 118.2 | ||||
| 1176 | A | 29.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | cis | 90.3 | 149 | 42.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1177 | A | 25 | Very low | 30 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -142.7 | 164.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1178 | Q | 27.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | 54.1 | 117.3 | 163.9 | -62.4 | -176.9 | -2.8 | 0 | 0 | 119.5 | ||||
| 1179 | S | 27.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -165.6 | 122.6 | 134.7 | 4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1180 | Y | 25.3 | Very low | 29.2 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 33.1 | 133.3 | 134.3 | -72.5 | -75.7 | 0 | 0 | 0 | 125.9 | ||||
| 1181 | F | 26.3 | Very low | 29.3 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | trans | 88.3 | 129.7 | 130.9 | -87.3 | -51.1 | 0 | 0 | 0 | 124.5 | ||||
| 1182 | L | 26 | Very low | 29.3 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | 87 | 127.7 | 139.8 | -119.8 | 73 | 0 | 0 | 0 | 123.2 | ||||
| 1183 | A | 28.5 | Very low | 29.3 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | 73.6 | 124.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1184 | N | 29.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 69.5 | 108.6 | 132.9 | -70.2 | -4.2 | 0 | 0 | 0 | 123 | ||||
| 1185 | H | 30.3 | Very low | 28.9 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 79.1 | 121.7 | 122.5 | -98.4 | -36.2 | 0 | 0 | 0 | 123.4 | |||||
| 1186 | Q | 29.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | trans | 94.3 | 112.4 | 134.7 | -64.7 | -142.6 | 17.8 | 0 | 0 | 123 | ||||
| 1187 | Q | 29.9 | Very low | 29.2 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 82 | 136.6 | 137.3 | -64.6 | -168.5 | 41.7 | 0 | 0 | 122.1 | ||||
| 1188 | G | 29.9 | Very low | 29.6 | Very low | 70 Ų | 70 | 155 Ų | 155 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 114.8 | 80.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1189 | K | 30 | Very low | 30 | Very low | 208 Ų | 208 | 151 Ų | 151 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | 52.3 | 123.4 | 94.4 | -69.8 | -174.8 | 176.7 | 179.1 | 0 | 113.5 | |||||
| 1190 | Q | 32.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 151 Ų | 151 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | -140.8 | 149.2 | 20.3 | -61.6 | 175.9 | -105.2 | 0 | 0 | 114.5 | ||||
| 1191 | Q | 32.5 | Very low | 31.3 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | 33.5 | 115.5 | 145.8 | -70.2 | 154.3 | -37 | 0 | 0 | 120 | ||||
| 1192 | Q | 30.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | 74.7 | 144 | 72.4 | -75.5 | -176.9 | -49 | 0 | 0 | 114.2 | |||||
| 1193 | I | 30.6 | Very low | 32.4 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | -129.1 | 154.3 | 25.1 | -63.5 | 169.3 | 0 | 0 | 0 | 112.2 | ||||
| 1194 | T | 28.4 | Very low | 32.4 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -128.6 | 148.2 | 176 | -43 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1195 | Y | 27.4 | Very low | 32.4 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 93% | 0.929 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 137 | 171.6 | -75.8 | -90 | 0 | 0 | 0 | 112.3 | ||||
| 1196 | P | 37.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -112.5 | 151.9 | 173.9 | 38.4 | -30.4 | 0 | 0 | 0 | 114.6 | ||||
| 1197 | S | 29.7 | Very low | 32.3 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 149.8 | 170.1 | -44.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1198 | F | 33.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -106.2 | 139.3 | -177.6 | -98.1 | -86.8 | 0 | 0 | 0 | 114.7 | ||||
| 1199 | P | 35.9 | Very low | 32.5 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -112.7 | 171.1 | 172.1 | 41.3 | -33.5 | 0 | 0 | 0 | 114.2 | ||||
| 1200 | P | 39.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -97.3 | 176 | 162.9 | 39 | -33.7 | 0 | 0 | 0 | 112.1 | ||||
| 1201 | P | 39.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -114.3 | -125.1 | -14.9 | 31.6 | -8.4 | 0 | 0 | 0 | 108.1 | ||||
| 1202 | P | 36 | Very low | 32.5 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | cis | -126.8 | 177.4 | -31.8 | 38.6 | -21 | 0 | 0 | 0 | 115.3 | ||||
| 1203 | P | 40 | Very low | 32.5 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -109.1 | 151.5 | -174.2 | 39 | -32.8 | 0 | 0 | 0 | 116.9 | ||||
| 1204 | R | 29.3 | Very low | 32.6 | Very low | 257 Ų | 257 | 140.2 Ų | 140.2 | 97% | 0.97 | 79% | 0.787 | S | S | * | * | trans | -166.8 | -176.4 | 147 | -110.7 | 170.2 | -162.4 | -110.2 | 0.9 | 112.9 | ||||
| 1205 | I | 28.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 160.9 | -146.2 | -78.6 | 170.9 | 0 | 0 | 0 | 115.3 | ||||
| 1206 | L | 28.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -36.7 | 153.8 | 174.8 | -63.2 | 82 | 0 | 0 | 0 | 118 | ||||
| 1207 | T | 29.3 | Very low | 32.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -152.9 | 145.5 | 142.7 | 39.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1208 | S | 30.9 | Very low | 32.6 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -159.9 | -156.9 | -9.3 | 58.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1209 | I | 32.9 | Very low | 32.9 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | 70.2 | 130.1 | 173.9 | -71.6 | 166.6 | 0 | 0 | 0 | 113.1 | ||||
| 1210 | N | 30.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -158.1 | 176.8 | -1.8 | -125.4 | 2.7 | 0 | 0 | 0 | 109.6 | ||||
| 1211 | S | 33.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | cis | -143.6 | 121.9 | 5.9 | -82.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1212 | G | 30.1 | Very low | 31.7 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 74.7 | 159 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1213 | I | 32.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | cis | -147.3 | 130.7 | -8.4 | -111.2 | 167.5 | 0 | 0 | 0 | 109.6 | ||||
| 1214 | I | 32.1 | Very low | 30.9 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 57.2 | 139.4 | 154.5 | -58.5 | 174.8 | 0 | 0 | 0 | 119.8 | ||||
| 1215 | S | 30 | Very low | 31 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -99.4 | -164.3 | -173.5 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1216 | T | 31.1 | Very low | 31.2 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | cis | -170.1 | 166.2 | 33.9 | -27.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1217 | T | 32.5 | Very low | 31.3 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | 72.7 | 153.1 | 154.4 | 38.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1218 | S | 28.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -128.7 | -175.2 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1219 | P | 40 | Very low | 31.4 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -133.8 | -177.8 | -7 | 36.9 | -16.7 | 0 | 0 | 0 | 115.7 | ||||
| 1220 | S | 28.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | 66.7 | 125.7 | 147.5 | 54.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1221 | T | 31 | Very low | 31.5 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 106.5 | 141.6 | 45.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1222 | T | 29.5 | Very low | 31.4 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 99.6 | 99.6 | 118.8 | -55.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1223 | I | 30.4 | Very low | 31.2 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 84 | 123.4 | 139.2 | -68.8 | 174.7 | 0 | 0 | 0 | 121.8 | ||||
| 1224 | T | 29.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 58.5 | 142.6 | 164.2 | 49.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1225 | S | 31.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | cis | -180 | 156.8 | -14.5 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1226 | Q | 31.9 | Very low | 30.7 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | cis | -128 | -97.5 | -2.7 | -170.8 | -164.9 | 82.1 | 0 | 0 | 111.3 | ||||
| 1227 | T | 30.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | cis | -160.4 | 148.6 | -5.5 | -39.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1228 | S | 31.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 63.7 | 133.7 | 164.2 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1229 | S | 32.3 | Very low | 30.7 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 50.2 | 87.8 | 157.5 | 60 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1230 | N | 35.2 | Very low | 30.2 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | -159.5 | 155.7 | 100.1 | -98.8 | -15.1 | 0 | 0 | 0 | 111.3 | |||||
| 1231 | E | 29.5 | Very low | 30.1 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -74.3 | 147.3 | -179.4 | -60.3 | 175.5 | 142.8 | 0 | 0 | 109.7 | ||||
| 1232 | L | 31 | Very low | 29.9 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | -134.3 | 145.4 | 54.4 | -75.6 | 158.4 | 0 | 0 | 0 | 114.9 | |||||
| 1233 | N | 27.2 | Very low | 29.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -67.1 | 164.7 | 158 | -75.1 | -44.3 | 0 | 0 | 0 | 109.6 | ||||
| 1234 | F | 30.4 | Very low | 29.5 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | -154.4 | 135.9 | 56 | -90.6 | -90.2 | 0 | 0 | 0 | 115.8 | |||||
| 1235 | S | 23.8 | Very low | 29.4 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -71.9 | 142.9 | 145.9 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1236 | C | 29 | Very low | 29.2 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | -175.6 | 122 | 144.8 | -97.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1237 | S | 28.1 | Very low | 29.1 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | 62.2 | 107.1 | 63.7 | 79.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1238 | S | 28.3 | Very low | 29.1 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -54.1 | 151.6 | 147 | -35 | 0 | 0 | 0 | 0 | 109 | ||||
| 1239 | P | 35.3 | Very low | 29 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | -154 | -173.4 | 83.9 | 34.7 | -12.3 | 0 | 0 | 0 | 115.6 | |||||
| 1240 | V | 29.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 108.6 | 167 | -161 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1241 | S | 25.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | cis | 85.8 | 159.9 | 40.9 | -162.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1242 | A | 28.5 | Very low | 28.6 | Very low | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | 82.3 | 92.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1243 | T | 25.8 | Very low | 28.5 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | 48.8 | 112.9 | 100.9 | -53.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1244 | V | 25.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 119 Ų | 119 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | 59.1 | 111.7 | 143.1 | -178.2 | 0 | 0 | 0 | 0 | 120.2 | I1246 | V1244-I1246 HydrophobicContact CG1-CD1 4.18Å; V1244-I1246 HydrophobicContact CG1-CG1 4.4Å | ||
| 1245 | A | 27.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | -164 | 122 | 126.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1246 | I | 27.6 | Very low | 28.9 | Very low | 139 Ų | 139 | 114.9 Ų | 114.9 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | 71.2 | 138.1 | 75.9 | -57.3 | 160.7 | 0 | 0 | 0 | 113.3 | V1244 | V1244-I1246 HydrophobicContact CG1-CD1 4.18Å; V1244-I1246 HydrophobicContact CG1-CG1 4.4Å | |||
| 1247 | T | 29.4 | Very low | 29 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 72.2 | 95.8 | 164.4 | 35.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1248 | T | 29.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 115.7 Ų | 115.7 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | 56.2 | 139 | 111.7 | 58.6 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1249 | M | 29.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 118.1 Ų | 118.1 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | 70.1 | 152 | 143.3 | -70.1 | 170.3 | -177.2 | 0 | 0 | 116.8 | ||||
| 1250 | S | 27.5 | Very low | 29.3 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -167.6 | -177.9 | -16 | -101.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1251 | T | 33.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | 60.1 | 107.5 | 161.1 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1252 | E | 28.4 | Very low | 29.7 | Very low | 174 Ų | 174 | 112.8 Ų | 112.8 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | 88.7 | 138.5 | 59.9 | -80.1 | -174.6 | 139.9 | 0 | 0 | 115.2 | |||||
| 1253 | S | 28.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 113 Ų | 113 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | trans | 77.2 | 150.5 | 153.3 | 78.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1254 | G | 30.5 | Very low | 30.1 | Very low | 68 Ų | 68 | 111.1 Ų | 111.1 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 95.7 | 103.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1255 | A | 30 | Very low | 30.3 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | 62.4 | 129.8 | 10.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1256 | T | 30.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | -163.7 | 158 | -2.6 | 4.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1257 | N | 30.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 64.8 | 139.5 | 149.5 | -57.7 | -6.3 | 0 | 0 | 0 | 122 | ||||
| 1258 | G | 33.8 | Very low | 30.3 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | 127 | 139.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1259 | D | 30.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 117 Ų | 117 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | cis | -166.7 | 168.1 | -19.4 | -141.8 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 1260 | G | 33.5 | Very low | 30.2 | Very low | 71 Ų | 71 | 115.3 Ų | 115.3 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 103.7 | 135.6 | 155 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1261 | G | 31.6 | Very low | 30.3 | Very low | 85 Ų | 85 | 118.5 Ų | 118.5 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | cis | 163 | 159.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1262 | G | 32.7 | Very low | 30.2 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 113 | 133 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1263 | G | 31.2 | Very low | 30.3 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | cis | 166.9 | 140.7 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1264 | G | 30.9 | Very low | 30.5 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | trans | 86.3 | 153.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1265 | G | 30.1 | Very low | 30.5 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | cis | 167 | 126.2 | -12.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1266 | Y | 28.8 | Very low | 30.3 | Very low | 222 Ų | 222 | 116.9 Ų | 116.9 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | trans | 69 | 143.7 | 155.6 | -67.2 | -80.3 | 0 | 0 | 0 | 123.3 | ||||
| 1267 | T | 27.6 | Very low | 31.2 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | 69.4 | 145.4 | 149.6 | 42.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1268 | I | 27.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 110.3 Ų | 110.3 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | cis | -167.1 | 152.8 | -11.8 | -160.7 | 166.1 | 0 | 0 | 0 | 111.7 | ||||
| 1269 | I | 29.6 | Very low | 31 | Very low | 138 Ų | 138 | 112.6 Ų | 112.6 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | 56.2 | 132.8 | 168.2 | 41.3 | 174.5 | 0 | 0 | 0 | 124.7 | ||||
| 1270 | D | 27.1 | Very low | 31.6 | Very low | 138 Ų | 138 | 109.7 Ų | 109.7 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | 69.7 | 132.2 | 131.8 | -61.7 | -11.9 | 0 | 0 | 0 | 127.3 | ||||
| 1271 | E | 30 | Very low | 31.3 | Very low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | trans | 69 | 122.6 | 139.9 | -76.3 | -157.8 | -178.9 | 0 | 0 | 124.2 | ||||
| 1272 | N | 29.7 | Very low | 31.2 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | 67.8 | 143.2 | 128 | -63.5 | -23.1 | 0 | 0 | 0 | 120.3 | |||||
| 1273 | T | 31.5 | Very low | 30.9 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | cis | -169.3 | 156.9 | -1 | 17.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1274 | I | 32.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 123 Ų | 123 | 70% | 0.697 | 69% | 0.694 | S | S | * | * | trans | 47.5 | 124.4 | 136.6 | -57.9 | 163.3 | 0 | 0 | 0 | 117.5 | ||||
| 1275 | S | 30.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | -167.4 | 160.8 | 81.2 | -48 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1276 | D | 26.5 | Very low | 30.6 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 42% | 0.422 | 69% | 0.687 | S | S | . | * | trans | -120.7 | 174.1 | -166.3 | -52.4 | -62.7 | 0 | 0 | 0 | 113.4 | Q1097 I1098 | Q1097-D1276 HydrophobicContact CB-CB 4.1Å; Q1097-D1276 WeakPolarHBondContact O-CB 3.42Å; Q1097-D1276 VanDerWaalsContact O-OD1 3.09Å; I1098-D1276 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 1277 | P | 48.7 | Very low | 30.6 | Very low | 23 Ų | 23 | 122.7 Ų | 122.7 | 15% | 0.149 | 68% | 0.678 | C | S | . | * | trans | -106.5 | -161.6 | -173.9 | 45.4 | -36.5 | 0 | 0 | 0 | 109.9 | Q1097 I1098 S1099 | Q1097-P1277 PolarHBondContact NE2-O 3.36Å; I1098-P1277 VanDerWaalsContact C-CG 3.42Å; I1098-P1277 VanDerWaalsContact N-CD 3.26Å; S1099-P1277 WeakPolarHBondContact OG-CB 3.39Å; S1099-P1277 VanDerWaalsContact OG-CG 3.28Å; S1099-P1277 WeakPolarHBondContact OG-CG 3.16Å | ||
| 1278 | P | 30.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 69% | 0.688 | 67% | 0.673 | S | S | * | * | trans | -137.7 | 146.5 | 137 | 28.8 | -12.1 | 0 | 0 | 0 | 115.2 | ||||
| 1279 | V | 29.2 | Very low | 31 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -117.8 | 174 | 154.4 | -149.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1280 | P | 44.1 | Very low | 31 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | -92.9 | -170.5 | -91.4 | 40 | -27.9 | 0 | 0 | 0 | 112.4 | |||||
| 1281 | F | 26.6 | Very low | 31.3 | Very low | 172 Ų | 172 | 119.3 Ų | 119.3 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | -159 | 154.1 | 143 | -113 | -66.9 | 0 | 0 | 0 | 114.1 | ||||
| 1282 | Y | 30.9 | Very low | 31.4 | Very low | 198 Ų | 198 | 116.6 Ų | 116.6 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | trans | 60.7 | 111.3 | 163.3 | -69.2 | -65 | 0 | 0 | 0 | 121.5 | ||||
| 1283 | S | 25.6 | Very low | 31.5 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | trans | -61.1 | 147 | 142.4 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1284 | V | 26.5 | Very low | 31.5 | Very low | 133 Ų | 133 | 117.2 Ų | 117.2 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | trans | -171 | 140.6 | 135.9 | 134.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1285 | C | 23.5 | Very low | 31.4 | Very low | 97 Ų | 97 | 115.7 Ų | 115.7 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | trans | 18.8 | 114.2 | 165.5 | -58.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1286 | L | 35.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 117.3 Ų | 117.3 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | -134 | 0 | 76 | -103.5 | 162.7 | 0 | 0 | 0 | 109.5 | Y1055 | Y1055-L1286 WeakPolarHBondContact CE1-OXT 3.46Å; Y1055-L1286 PolarHBondContact OH-OXT 2.65Å |
Retrieved 1,286 of 1,286 residues in 388.2 ms
(Link to these results)