| 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 | 31.5 | Very low | 32.4 | Very low | 221 Ų | 221 | 152 Ų | 152 | 100% | 1.089 | 75% | 0.746 | S | S | * | * | 0 | 85.4 | 0 | -57.2 | 174.7 | -172.9 | 0 | 0 | 112.9 | |||||
| 2 | A | 27.2 | Very low | 32.9 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -113.3 | -7.9 | -161.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 3 | I | 29.6 | Very low | 33.5 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -105.3 | -26.5 | -163.2 | -67.2 | 178 | 0 | 0 | 0 | 115.1 | T5 | I3-T5 PolarHBondContact O-N 3.28Š|
| 4 | N | 29.7 | Very low | 34.8 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -5.7 | -175.2 | -91.3 | -16.3 | 0 | 0 | 0 | 115.6 | ||
| 5 | T | 34.2 | Very low | 36.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -9.7 | -178.4 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | I3 | I3-T5 PolarHBondContact O-N 3.28Š|
| 6 | R | 31.9 | Very low | 37.6 | Very low | 223 Ų | 223 | 127.4 Ų | 127.4 | 84% | 0.842 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -28.7 | -177.6 | -76 | -171.8 | 175.8 | -173.7 | -0.3 | 115.9 | N8 K9 | R6-N8 PolarHBondContact O-N 3.44Å; R6-K9 PolarHBondContact O-N 3.12Å |
| 7 | R | 32.2 | Very low | 38.6 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -67.2 | -34 | 178.6 | -86.2 | -178.4 | 169.3 | 137.8 | -3.2 | 112.6 | K9 M1573 | R7-K9 PolarHBondContact O-N 3.47Å; R7-M1573 PolarHBondContact NH2-SD 2.88Å |
| 8 | N | 32.6 | Very low | 39.8 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -73.8 | 25.1 | 176.3 | -81.2 | -20.5 | 0 | 0 | 0 | 115.4 | R6 K12 | R6-N8 PolarHBondContact O-N 3.44Å; N8-K12 WeakPolarHBondContact O-CD 3.43Å; N8-K12 WeakPolarHBondContact O-CE 3.3Å |
| 9 | K | 35.3 | Very low | 41 | Very low | 165 Ų | 165 | 118.5 Ų | 118.5 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -110.4 | -27.1 | 173.2 | -118.5 | -167.6 | 176.9 | -162.4 | 0 | 114.8 | R6 R7 | R6-K9 PolarHBondContact O-N 3.12Å; R7-K9 PolarHBondContact O-N 3.47Å |
| 10 | K | 35.2 | Very low | 42.3 | Very low | 156 Ų | 156 | 114.8 Ų | 114.8 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -37.9 | 177.6 | -82.6 | -162.8 | 169.5 | -166.2 | 0 | 113.1 | K12 | K10-K12 PolarHBondContact O-N 3.28Š|
| 11 | N | 37.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 114 Ų | 114 | 62% | 0.62 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 34.5 | 178.5 | -58.6 | 23.8 | 0 | 0 | 0 | 113.3 | ||
| 12 | K | 37.9 | Very low | 45.2 | Very low | 79 Ų | 79 | 108.8 Ų | 108.8 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.4 | -0.3 | -177.2 | -70.6 | -165.5 | 171.5 | -173.5 | 0 | 114.8 | N8 K10 K36 | N8-K12 WeakPolarHBondContact O-CD 3.43Å; N8-K12 WeakPolarHBondContact O-CE 3.3Å; K10-K12 PolarHBondContact O-N 3.28Å; K12-K36 WeakPolarHBondContact O-CE 3.48Å |
| 13 | E | 41.5 | Very low | 47.3 | Very low | 114 Ų | 114 | 107.9 Ų | 107.9 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -35.3 | 170.1 | -85.3 | 131.5 | -168.6 | 0 | 0 | 111.3 | L15 M16 K36 | E13-L15 PolarHBondContact O-N 3.31Å; E13-M16 PolarHBondContact O-N 3.49Å; E13-K36 IonicContact OE1-NZ 2.68Å |
| 14 | T | 51.2 | Low | 49.5 | Very low | 87 Ų | 87 | 103.8 Ų | 103.8 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 31.1 | -179.9 | 68.6 | 0 | 0 | 0 | 0 | 117 | D17 | T14-D17 PolarHBondContact N-OD2 3.25Š|
| 15 | L | 56.4 | Low | 51.5 | Low | 53 Ų | 53 | 102.1 Ų | 102.1 | 28% | 0.277 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -12.1 | 174.6 | -127.4 | 158.4 | 0 | 0 | 0 | 112.1 | E13 L43 | E13-L15 PolarHBondContact O-N 3.31Å; L15-L43 HydrophobicContact CD2-CG 4.28Å |
| 16 | M | 57.4 | Low | 53.6 | Low | 34 Ų | 34 | 100.6 Ų | 100.6 | 17% | 0.167 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -27.7 | 165.4 | -52.9 | -60.3 | -88.5 | 0 | 0 | 111.7 | E13 G18 L19 L24 L27 P34 L43 | E13-M16 PolarHBondContact O-N 3.49Å; M16-G18 PolarHBondContact O-N 3.2Å; M16-G18 VanDerWaalsContact O-N 3.12Å; M16-L19 HydrophobicContact CE-CD1 4.34Å; M16-L19 PolarHBondContact O-N 2.7Å; M16-L19 VanDerWaalsContact O-N 3.13Å; M16-L19 HydrophobicContact SD-CD1 4.03Å; M16-L24 HydrophobicContact CB-CD1 4.27Å; M16-L24 HydrophobicContact CE-CD1 3.78Å; M16-L24 HydrophobicContact CE-CG 3.9Å; M16-L27 HydrophobicContact CE-CD1 4.47Å; M16-P34 HydrophobicContact CE-CG 4.39Å; M16-P34 HydrophobicContact CG-CB 4.09Å; M16-P34 HydrophobicContact CG-CG 4.16Å; M16-P34 HydrophobicContact SD-CB 4.21Å; M16-P34 HydrophobicContact SD-CG 4.38Å; M16-L43 HydrophobicContact CE-CD2 4.37Å; M16-L43 HydrophobicContact SD-CD2 3.65Å |
| 17 | D | 54.4 | Low | 56 | Low | 111 Ų | 111 | 90 Ų | 90 | 59% | 0.594 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 113.3 | 177.9 | -50.3 | -33.7 | 0 | 0 | 0 | 110.7 | T14 | T14-D17 PolarHBondContact N-OD2 3.25Š|
| 18 | G | 60.8 | Low | 58.2 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 63% | 0.629 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.8 | -4.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M16 | M16-G18 PolarHBondContact O-N 3.2Å; M16-G18 VanDerWaalsContact O-N 3.12Å |
| 19 | L | 61.9 | Low | 60.2 | Low | 40 Ų | 40 | 85.4 Ų | 85.4 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | trans | -74.1 | 148.9 | 169.9 | -67.3 | 177.6 | 0 | 0 | 0 | 112.1 | M16 E23 L27 V55 | M16-L19 HydrophobicContact CE-CD1 4.34Å; M16-L19 PolarHBondContact O-N 2.7Å; M16-L19 VanDerWaalsContact O-N 3.13Å; M16-L19 HydrophobicContact SD-CD1 4.03Å; L19-E23 WeakPolarHBondContact CA-OE2 3.42Å; L19-E23 HydrophobicContact CB-CB 4.26Å; L19-E23 HydrophobicContact CD2-CB 4.2Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.44Å; L19-L27 HydrophobicContact CD1-CD1 4.07Å; L19-V55 HydrophobicContact CD1-CG2 3.77Å; L19-V55 HydrophobicContact CD2-CB 4.11Å; L19-V55 HydrophobicContact CD2-CG1 3.78Å; L19-V55 HydrophobicContact CD2-CG2 3.81Å; L19-V55 HydrophobicContact CG-CG2 4.28Å | ||
| 20 | S | 68.8 | Low | 62.3 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | trans | -68.9 | 158.5 | 167.1 | 97.1 | 0 | 0 | 0 | 0 | 110.7 | E22 E23 L24 | S20-E22 PolarHBondContact O-N 3.36Å; S20-E22 WeakPolarHBondContact OG-CB 3.36Å; S20-E22 PolarHBondContact OG-N 3.08Å; S20-E22 VanDerWaalsContact OG-N 3.15Å; S20-E23 PolarHBondContact N-OE2 3.31Å; S20-E23 PolarHBondContact O-N 3.36Å; S20-E23 PolarHBondContact OG-N 3.14Å; S20-E23 VanDerWaalsContact OG-N 3.09Å; S20-L24 PolarHBondContact O-N 3.13Å | ||
| 21 | S | 68.7 | Low | 64.5 | Low | 99 Ų | 99 | 75.2 Ų | 75.2 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.2 | -34.9 | 173.2 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | L24 E25 | S21-L24 PolarHBondContact O-N 2.58Å; S21-E25 VanDerWaalsContact O-CB 3.23Å; S21-E25 WeakPolarHBondContact O-CB 3.4Å; S21-E25 PolarHBondContact O-N 3.43Å |
| 22 | E | 65.6 | Low | 66.8 | Low | 111 Ų | 111 | 69.7 Ų | 69.7 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 178.9 | -52.6 | 162.9 | 133.2 | 0 | 0 | 111.2 | S20 Y26 | S20-E22 PolarHBondContact O-N 3.36Å; S20-E22 WeakPolarHBondContact OG-CB 3.36Å; S20-E22 PolarHBondContact OG-N 3.08Å; S20-E22 VanDerWaalsContact OG-N 3.15Å; E22-Y26 WeakPolarHBondContact O-CB 3.3Å; E22-Y26 PolarHBondContact O-N 3.24Å |
| 23 | E | 71.3 | Confident | 69 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.1 | -71.1 | -179.4 | 109.6 | 0 | 0 | 111.8 | L19 S20 Y26 L27 | L19-E23 WeakPolarHBondContact CA-OE2 3.42Å; L19-E23 HydrophobicContact CB-CB 4.26Å; L19-E23 HydrophobicContact CD2-CB 4.2Å; L19-E23 WeakPolarHBondContact CD2-OE2 3.44Å; S20-E23 PolarHBondContact N-OE2 3.31Å; S20-E23 PolarHBondContact O-N 3.36Å; S20-E23 PolarHBondContact OG-N 3.14Å; S20-E23 VanDerWaalsContact OG-N 3.09Å; E23-Y26 PolarHBondContact O-N 2.88Å; E23-L27 WeakPolarHBondContact O-CG 3.38Å; E23-L27 PolarHBondContact O-N 2.72Å |
| 24 | L | 74.5 | Confident | 70.9 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | -178.3 | -162.6 | 137 | 0 | 0 | 0 | 111.4 | M16 S20 S21 N28 | M16-L24 HydrophobicContact CB-CD1 4.27Å; M16-L24 HydrophobicContact CE-CD1 3.78Å; M16-L24 HydrophobicContact CE-CG 3.9Å; S20-L24 PolarHBondContact O-N 3.13Å; S21-L24 PolarHBondContact O-N 2.58Å; L24-N28 VanDerWaalsContact O-CG 3.25Å; L24-N28 PolarHBondContact O-N 3.33Å; L24-N28 VanDerWaalsContact O-N 3.09Å; L24-N28 PolarHBondContact O-ND2 3.4Å |
| 25 | E | 71.7 | Confident | 72.1 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 171.7 | -173.1 | 171.9 | -180 | 0 | 0 | 111.8 | S21 L27 N28 K29 | S21-E25 VanDerWaalsContact O-CB 3.23Å; S21-E25 WeakPolarHBondContact O-CB 3.4Å; S21-E25 PolarHBondContact O-N 3.43Å; E25-L27 PolarHBondContact O-N 3.3Å; E25-N28 PolarHBondContact O-N 2.94Å; E25-K29 WeakPolarHBondContact O-CB 3.3Å; E25-K29 PolarHBondContact O-N 3.14Å |
| 26 | Y | 80.2 | Confident | 72.2 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175.5 | 178.2 | -95.4 | 0 | 0 | 0 | 112.4 | E22 E23 K29 N30 I59 T62 | E22-Y26 WeakPolarHBondContact O-CB 3.3Å; E22-Y26 PolarHBondContact O-N 3.24Å; E23-Y26 PolarHBondContact O-N 2.88Å; Y26-K29 PolarHBondContact O-N 2.88Å; Y26-N30 PolarHBondContact O-N 3.22Å; Y26-N30 PolarHBondContact O-ND2 2.86Å; Y26-I59 HydrophobicContact CD1-CG1 4.25Å; Y26-I59 HydrophobicContact CE1-CB 4.42Å; Y26-I59 HydrophobicContact CE1-CG1 4.03Å; Y26-I59 HydrophobicContact CE1-CG2 4.16Å; Y26-T62 HydrophobicContact CE1-CG2 4.1Å; Y26-T62 PolarHBondContact OH-OG1 3.32Å |
| 27 | L | 81.5 | Confident | 72.2 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.4 | -71.1 | 175.7 | 0 | 0 | 0 | 111.9 | M16 L19 E23 E25 K29 N30 Y31 I32 L43 V55 A58 | M16-L27 HydrophobicContact CE-CD1 4.47Å; L19-L27 HydrophobicContact CD1-CD1 4.07Å; E23-L27 WeakPolarHBondContact O-CG 3.38Å; E23-L27 PolarHBondContact O-N 2.72Å; E25-L27 PolarHBondContact O-N 3.3Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.2Å; L27-N30 CarbonylContact O-C 3.53Å; L27-N30 PolarHBondContact O-N 3.11Å; L27-Y31 PolarHBondContact O-N 3.19Å; L27-I32 HydrophobicContact CB-CB 4.29Å; L27-I32 HydrophobicContact CD2-CB 4.18Å; L27-I32 HydrophobicContact CD2-CD1 4.15Å; L27-I32 HydrophobicContact CD2-CG2 4.07Å; L27-I32 WeakPolarHBondContact O-CB 3.38Å; L27-I32 PolarHBondContact O-N 3.21Å; L27-L43 HydrophobicContact CD1-CD1 4.05Å; L27-V55 HydrophobicContact CD1-CG1 4.09Å; L27-V55 HydrophobicContact CD1-CG2 4.26Å; L27-A58 HydrophobicContact CD2-CB 3.55Å |
| 28 | N | 78.4 | Confident | 72 | Confident | 80 Ų | 80 | 76.8 Ų | 76.8 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.3 | -72.4 | -20.8 | 0 | 0 | 0 | 112 | L24 E25 N30 Y31 | L24-N28 VanDerWaalsContact O-CG 3.25Å; L24-N28 PolarHBondContact O-N 3.33Å; L24-N28 VanDerWaalsContact O-N 3.09Å; L24-N28 PolarHBondContact O-ND2 3.4Å; E25-N28 PolarHBondContact O-N 2.94Å; N28-N30 PolarHBondContact O-N 2.88Å; N28-Y31 WeakPolarHBondContact O-CA 3.4Å; N28-Y31 PolarHBondContact O-N 2.96Å |
| 29 | K | 74.8 | Confident | 71.6 | Confident | 116 Ų | 116 | 85.6 Ų | 85.6 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -20.7 | 178.8 | -158.5 | 166.2 | -167 | 160.1 | 0 | 113.6 | E25 Y26 L27 E655 | E25-K29 WeakPolarHBondContact O-CB 3.3Å; E25-K29 PolarHBondContact O-N 3.14Å; Y26-K29 PolarHBondContact O-N 2.88Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.2Å; K29-E655 IonicContact NZ-OE1 2.79Å; K29-E655 PolarHBondContact NZ-OE1 3.23Å |
| 30 | N | 78.9 | Confident | 71.3 | Confident | 17 Ų | 17 | 92 Ų | 92 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 14.7 | 172 | -70.5 | -97.6 | 0 | 0 | 0 | 112.6 | Y26 L27 N28 I32 V47 T62 H67 | Y26-N30 PolarHBondContact O-N 3.22Å; Y26-N30 PolarHBondContact O-ND2 2.86Å; L27-N30 CarbonylContact O-C 3.53Å; L27-N30 PolarHBondContact O-N 3.11Å; N28-N30 PolarHBondContact O-N 2.88Å; N30-I32 HydrophobicContact CB-CD1 4.19Å; N30-I32 HydrophobicContact CB-CG1 4.32Å; N30-I32 PolarHBondContact O-N 3.26Å; N30-V47 WeakPolarHBondContact O-CG2 3.47Å; N30-T62 HydrophobicContact CB-CG2 3.46Å; N30-T62 VanDerWaalsContact CB-CG2 3.46Å; N30-T62 WeakPolarHBondContact OD1-CB 3.27Å; N30-T62 WeakPolarHBondContact OD1-CG2 3.45Å; N30-H67 PolarHBondContact O-CE1 2.86Å; N30-H67 PolarHBondContact OD1-NE2 3.48Å |
| 31 | Y | 82.1 | Confident | 71 | Confident | 90 Ų | 90 | 93.1 Ų | 93.1 | 35% | 0.353 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 49.5 | -174.6 | -49 | -94.5 | 0 | 0 | 0 | 113.5 | L27 N28 N46 V47 L71 | L27-Y31 PolarHBondContact O-N 3.19Å; N28-Y31 WeakPolarHBondContact O-CA 3.4Å; N28-Y31 PolarHBondContact O-N 2.96Å; Y31-N46 PolarHBondContact O-N 3.43Å; Y31-V47 HydrophobicContact CD2-CG2 3.75Å; Y31-V47 HydrophobicContact CG-CG2 4.11Å; Y31-L71 HydrophobicContact CD2-CD1 3.67Å; Y31-L71 HydrophobicContact CE2-CD1 3.76Å |
| 32 | I | 84.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.4 | 176.4 | -60.3 | 175.4 | 0 | 0 | 0 | 109.9 | L27 N30 L43 L44 C45 M52 A58 T62 | L27-I32 HydrophobicContact CB-CB 4.29Å; L27-I32 HydrophobicContact CD2-CB 4.18Å; L27-I32 HydrophobicContact CD2-CD1 4.15Å; L27-I32 HydrophobicContact CD2-CG2 4.07Å; L27-I32 WeakPolarHBondContact O-CB 3.38Å; L27-I32 PolarHBondContact O-N 3.21Å; N30-I32 HydrophobicContact CB-CD1 4.19Å; N30-I32 HydrophobicContact CB-CG1 4.32Å; N30-I32 PolarHBondContact O-N 3.26Å; I32-L43 HydrophobicContact CG2-CB 3.72Å; I32-L43 HydrophobicContact CG2-CD1 4.34Å; I32-L43 HydrophobicContact CG2-CD2 4.25Å; I32-L43 HydrophobicContact CG2-CG 4.33Å; I32-L44 WeakPolarHBondContact CA-O 3.33Å; I32-C45 HydrophobicContact CG1-CB 3.93Å; I32-M52 HydrophobicContact CD1-CE 4.06Å; I32-M52 HydrophobicContact CG1-CE 4.24Å; I32-M52 HydrophobicContact CG2-CE 3.58Å; I32-A58 HydrophobicContact CD1-CB 4.14Å; I32-A58 HydrophobicContact CG2-CB 4.12Å; I32-T62 HydrophobicContact CD1-CG2 3.45Å; I32-T62 VanDerWaalsContact CD1-CG2 3.45Å |
| 33 | E | 84.3 | Confident | 72.5 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.8 | -169.7 | -70.7 | 166.9 | -137.3 | 0 | 0 | 113 | L35 L43 L44 N46 | E33-L35 PolarHBondContact O-N 3.04Å; E33-L43 CarbonylContact O-C 3.56Å; E33-L44 PolarHBondContact N-O 3.22Å; E33-L44 PolarHBondContact O-N 3.45Å; E33-N46 PolarHBondContact OE1-ND2 3.45Å; E33-N46 PolarHBondContact OE2-ND2 3.13Å |
| 34 | P | 80.4 | Confident | 73.2 | Confident | 63 Ų | 63 | 81.5 Ų | 81.5 | 41% | 0.409 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 104.9 | 179.6 | 29.5 | -34.3 | 0 | 0 | 0 | 112.8 | M16 K36 L43 | M16-P34 HydrophobicContact CE-CG 4.39Å; M16-P34 HydrophobicContact CG-CB 4.09Å; M16-P34 HydrophobicContact CG-CG 4.16Å; M16-P34 HydrophobicContact SD-CB 4.21Å; M16-P34 HydrophobicContact SD-CG 4.38Å; P34-K36 PolarHBondContact O-N 2.91Å; P34-K36 VanDerWaalsContact O-N 3.08Å; P34-L43 HydrophobicContact CB-CD2 4.41Å |
| 35 | L | 76.5 | Confident | 73.8 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | trans | -78.7 | 92.5 | -175.5 | -174.8 | 69.7 | 0 | 0 | 0 | 112.6 | E33 T37 G42 L44 L51 | E33-L35 PolarHBondContact O-N 3.04Å; L35-T37 HydrophobicContact CD1-CG2 4.1Å; L35-T37 HydrophobicContact CD2-CG2 4.4Å; L35-T37 HydrophobicContact CG-CG2 4Å; L35-T37 PolarHBondContact O-N 2.97Å; L35-G42 PolarHBondContact N-O 2.87Å; L35-L44 HydrophobicContact CB-CB 3.92Å; L35-L44 HydrophobicContact CD1-CD2 4.02Å; L35-L44 HydrophobicContact CD2-CB 4.34Å; L35-L44 HydrophobicContact CD2-CD2 4.18Å; L35-L51 HydrophobicContact CB-CD1 4.13Å; L35-L51 HydrophobicContact CD2-CD1 3.87Å | ||
| 36 | K | 59.2 | Low | 74.1 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | trans | -81.5 | 91 | 174 | -71 | -171.1 | 176.2 | -175 | 0 | 112.4 | K12 E13 P34 | K12-K36 WeakPolarHBondContact O-CE 3.48Å; E13-K36 IonicContact OE1-NZ 2.68Å; P34-K36 PolarHBondContact O-N 2.91Å; P34-K36 VanDerWaalsContact O-N 3.08Å | ||
| 37 | T | 56.8 | Low | 73.7 | Confident | 67 Ų | 67 | 74.4 Ų | 74.4 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | trans | -117 | 165.7 | 168.4 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | L35 R39 R40 | L35-T37 HydrophobicContact CD1-CG2 4.1Å; L35-T37 HydrophobicContact CD2-CG2 4.4Å; L35-T37 HydrophobicContact CG-CG2 4Å; L35-T37 PolarHBondContact O-N 2.97Å; T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 PolarHBondContact O-N 3.11Å; T37-R40 PolarHBondContact N-O 3.26Å; T37-R40 PolarHBondContact OG1-N 3.28Å; T37-R40 PolarHBondContact OG1-O 3.45Å | ||
| 38 | K | 51.2 | Low | 73.3 | Confident | 202 Ų | 202 | 75.2 Ų | 75.2 | 88% | 0.878 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -62.9 | -31.8 | 179.1 | -74.7 | -172.4 | 177.4 | -178.7 | 0 | 114 | ||
| 39 | R | 51.9 | Low | 73.2 | Confident | 245 Ų | 245 | 74.3 Ų | 74.3 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -114.8 | -12.8 | -173.2 | -73.9 | -173.5 | 174 | -177 | -2.9 | 115.2 | T37 | T37-R39 VanDerWaalsContact C-N 3.31Å; T37-R39 PolarHBondContact O-N 3.11Å |
| 40 | R | 55 | Low | 73.4 | Confident | 176 Ų | 176 | 70 Ų | 70 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | trans | -140.7 | 142.8 | 175.7 | -60.7 | -175.4 | -170.9 | 170.4 | 4 | 110.7 | T37 L51 | T37-R40 PolarHBondContact N-O 3.26Å; T37-R40 PolarHBondContact OG1-N 3.28Å; T37-R40 PolarHBondContact OG1-O 3.45Å; R40-L51 HydrophobicContact CB-CD2 3.95Å; R40-L51 HydrophobicContact CG-CD2 4.47Å | ||
| 41 | C | 62.7 | Low | 73.6 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 45% | 0.446 | 36% | 0.358 | S | S | . | . | trans | -142.1 | 143.1 | 176.5 | 45.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 42 | G | 80.8 | Confident | 73.8 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 151.3 | 178 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L35 M52 | L35-G42 PolarHBondContact N-O 2.87Å; G42-M52 CarbonylContact C-O 3.36Å; G42-M52 VanDerWaalsContact CA-O 3.32Å; G42-M52 WeakPolarHBondContact CA-O 3.49Å |
| 43 | L | 84.7 | Confident | 73.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.2 | 175.3 | -70.2 | 173.1 | 0 | 0 | 0 | 110.1 | L15 M16 L27 I32 E33 P34 L51 M52 V55 A58 | L15-L43 HydrophobicContact CD2-CG 4.28Å; M16-L43 HydrophobicContact CE-CD2 4.37Å; M16-L43 HydrophobicContact SD-CD2 3.65Å; L27-L43 HydrophobicContact CD1-CD1 4.05Å; I32-L43 HydrophobicContact CG2-CB 3.72Å; I32-L43 HydrophobicContact CG2-CD1 4.34Å; I32-L43 HydrophobicContact CG2-CD2 4.25Å; I32-L43 HydrophobicContact CG2-CG 4.33Å; E33-L43 CarbonylContact O-C 3.56Å; P34-L43 HydrophobicContact CB-CD2 4.41Å; L43-L51 CarbonylContact O-C 2.9Å; L43-L51 WeakPolarHBondContact O-CA 3.44Å; L43-M52 HydrophobicContact CB-CB 4.44Å; L43-M52 HydrophobicContact CB-CE 4.12Å; L43-M52 PolarHBondContact N-O 3.02Å; L43-M52 WeakPolarHBondContact O-CE 3.45Å; L43-M52 PolarHBondContact O-N 3.1Å; L43-V55 HydrophobicContact CD1-CB 4.35Å; L43-V55 HydrophobicContact CD1-CG2 3.67Å; L43-A58 HydrophobicContact CD1-CB 3.7Å |
| 44 | L | 86.3 | Confident | 73.5 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.8 | 173.7 | 176.8 | 64.5 | 0 | 0 | 0 | 109 | I32 E33 L35 N46 L51 | I32-L44 WeakPolarHBondContact CA-O 3.33Å; E33-L44 PolarHBondContact N-O 3.22Å; E33-L44 PolarHBondContact O-N 3.45Å; L35-L44 HydrophobicContact CB-CB 3.92Å; L35-L44 HydrophobicContact CD1-CD2 4.02Å; L35-L44 HydrophobicContact CD2-CB 4.34Å; L35-L44 HydrophobicContact CD2-CD2 4.18Å; L44-N46 VanDerWaalsContact CD2-OD1 3.27Å; L44-N46 WeakPolarHBondContact CD2-OD1 3.44Å; L44-N46 PolarHBondContact O-N 3.07Å; L44-L51 HydrophobicContact CB-CD1 4.22Å |
| 45 | C | 87.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 110.9 | 161.2 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | I32 V47 C48 G49 T50 M52 H61 H67 | I32-C45 HydrophobicContact CG1-CB 3.93Å; C45-V47 VanDerWaalsContact C-N 3.25Å; C45-V47 PolarHBondContact O-N 2.81Å; C45-C48 HydrophobicContact CB-CB 4.32Å; C45-C48 PolarHBondContact O-N 3Å; C45-C48 PolarHBondContact SG-N 3.39Å; C45-C48 VanDerWaalsContact SG-N 3.37Å; C45-G49 WeakPolarHBondContact O-CA 3.29Å; C45-G49 PolarHBondContact O-N 3.08Å; C45-T50 PolarHBondContact N-O 2.96Å; C45-T50 PolarHBondContact O-N 2.86Å; C45-M52 HydrophobicContact CB-CE 3.97Å; C45-H61 VanDerWaalsContact CB-NE2 3.34Å; C45-H61 WeakPolarHBondContact CB-NE2 3.39Å; C45-H61 PolarHBondContact SG-NE2 3.17Å; C45-H61 VanDerWaalsContact SG-NE2 3.36Å; C45-H67 PolarHBondContact SG-CE1 3.36Å; C45-H67 PolarHBondContact SG-ND1 3.4Å; C45-H67 VanDerWaalsContact SG-ND1 3.42Å |
| 46 | N | 78.7 | Confident | 73.4 | Confident | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26 | 178 | -79.7 | -23.3 | 0 | 0 | 0 | 112 | Y31 E33 L44 | Y31-N46 PolarHBondContact O-N 3.43Å; E33-N46 PolarHBondContact OE1-ND2 3.45Å; E33-N46 PolarHBondContact OE2-ND2 3.13Å; L44-N46 VanDerWaalsContact CD2-OD1 3.27Å; L44-N46 WeakPolarHBondContact CD2-OD1 3.44Å; L44-N46 PolarHBondContact O-N 3.07Å |
| 47 | V | 71 | Confident | 74.4 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -42.4 | 173 | -151.4 | 0 | 0 | 0 | 0 | 112.6 | N30 Y31 C45 N70 L71 A74 | N30-V47 WeakPolarHBondContact O-CG2 3.47Å; Y31-V47 HydrophobicContact CD2-CG2 3.75Å; Y31-V47 HydrophobicContact CG-CG2 4.11Å; C45-V47 VanDerWaalsContact C-N 3.25Å; C45-V47 PolarHBondContact O-N 2.81Å; V47-N70 HydrophobicContact CG1-CB 3.64Å; V47-N70 VanDerWaalsContact CG1-O 3.24Å; V47-N70 WeakPolarHBondContact CG1-O 3.39Å; V47-L71 HydrophobicContact CG1-CB 4.38Å; V47-L71 HydrophobicContact CG2-CD1 4.12Å; V47-A74 HydrophobicContact CG1-CB 4Å |
| 48 | C | 72.9 | Confident | 75.6 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.122 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 1.6 | -171.1 | -66.3 | 0 | 0 | 0 | 0 | 114.4 | C45 T50 H61 N70 | C45-C48 HydrophobicContact CB-CB 4.32Å; C45-C48 PolarHBondContact O-N 3Å; C45-C48 PolarHBondContact SG-N 3.39Å; C45-C48 VanDerWaalsContact SG-N 3.37Å; C48-T50 WeakPolarHBondContact CB-OG1 3Å; C48-T50 PolarHBondContact O-N 3.4Å; C48-T50 PolarHBondContact O-OG1 3.42Å; C48-H61 WeakPolarHBondContact CB-NE2 3.48Å; C48-N70 PolarHBondContact SG-ND2 3.35Å |
| 49 | G | 76.5 | Confident | 76.9 | Confident | 61 Ų | 61 | 56 Ų | 56 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 17.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C45 | C45-G49 WeakPolarHBondContact O-CA 3.29Å; C45-G49 PolarHBondContact O-N 3.08Å |
| 50 | T | 78.3 | Confident | 78.1 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.1 | -166.8 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | C45 C48 M52 F1334 | C45-T50 PolarHBondContact N-O 2.96Å; C45-T50 PolarHBondContact O-N 2.86Å; C48-T50 WeakPolarHBondContact CB-OG1 3Å; C48-T50 PolarHBondContact O-N 3.4Å; C48-T50 PolarHBondContact O-OG1 3.42Å; T50-M52 HydrophobicContact CG2-CG 4.04Å; T50-M52 HydrophobicContact CG2-SD 4.43Å; T50-F1334 HydrophobicContact CG2-CE1 4.28Å; T50-F1334 WeakPolarHBondContact OG1-CE1 3.34Å; T50-F1334 WeakPolarHBondContact OG1-CZ 3.27Å |
| 51 | L | 83.7 | Confident | 79.4 | Confident | 66 Ų | 66 | 42.1 Ų | 42.1 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.1 | 177 | -174.3 | 69 | 0 | 0 | 0 | 110.9 | L35 R40 L43 L44 | L35-L51 HydrophobicContact CB-CD1 4.13Å; L35-L51 HydrophobicContact CD2-CD1 3.87Å; R40-L51 HydrophobicContact CB-CD2 3.95Å; R40-L51 HydrophobicContact CG-CD2 4.47Å; L43-L51 CarbonylContact O-C 2.9Å; L43-L51 WeakPolarHBondContact O-CA 3.44Å; L44-L51 HydrophobicContact CB-CD1 4.22Å |
| 52 | M | 86.8 | Confident | 80.1 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.3 | -169.1 | -57.5 | 167 | -65.2 | 0 | 0 | 109.7 | I32 G42 L43 C45 T50 A57 A58 H61 | I32-M52 HydrophobicContact CD1-CE 4.06Å; I32-M52 HydrophobicContact CG1-CE 4.24Å; I32-M52 HydrophobicContact CG2-CE 3.58Å; G42-M52 CarbonylContact C-O 3.36Å; G42-M52 VanDerWaalsContact CA-O 3.32Å; G42-M52 WeakPolarHBondContact CA-O 3.49Å; L43-M52 HydrophobicContact CB-CB 4.44Å; L43-M52 HydrophobicContact CB-CE 4.12Å; L43-M52 PolarHBondContact N-O 3.02Å; L43-M52 WeakPolarHBondContact O-CE 3.45Å; L43-M52 PolarHBondContact O-N 3.1Å; C45-M52 HydrophobicContact CB-CE 3.97Å; T50-M52 HydrophobicContact CG2-CG 4.04Å; T50-M52 HydrophobicContact CG2-SD 4.43Å; M52-A57 HydrophobicContact CB-CB 4.45Å; M52-A58 HydrophobicContact CE-CB 3.83Å; M52-A58 HydrophobicContact SD-CB 4.1Å; M52-H61 HydrophobicContact SD-CB 3.4Å; M52-H61 WeakPolarHBondContact SD-CB 3.49Å; M52-H61 VanDerWaalsContact SD-CD2 3.53Å; M52-H61 VanDerWaalsContact SD-CG 3.59Å |
| 53 | S | 80.9 | Confident | 79.7 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -91.1 | -12.1 | -171.7 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 54 | T | 82 | Confident | 79 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -146.8 | 157.9 | -178.9 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | A57 A58 | T54-A57 WeakPolarHBondContact O-CB 3.29Å; T54-A57 PolarHBondContact O-N 3.38Å; T54-A57 WeakPolarHBondContact OG1-CB 3.41Å; T54-A57 PolarHBondContact OG1-N 2.76Å; T54-A58 PolarHBondContact O-N 3.33Å; T54-A58 VanDerWaalsContact O-N 3.15Å |
| 55 | V | 78.5 | Confident | 77.6 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.8 | L19 L27 L43 A57 A58 I59 | L19-V55 HydrophobicContact CD1-CG2 3.77Å; L19-V55 HydrophobicContact CD2-CB 4.11Å; L19-V55 HydrophobicContact CD2-CG1 3.78Å; L19-V55 HydrophobicContact CD2-CG2 3.81Å; L19-V55 HydrophobicContact CG-CG2 4.28Å; L27-V55 HydrophobicContact CD1-CG1 4.09Å; L27-V55 HydrophobicContact CD1-CG2 4.26Å; L43-V55 HydrophobicContact CD1-CB 4.35Å; L43-V55 HydrophobicContact CD1-CG2 3.67Å; V55-A57 PolarHBondContact O-N 2.89Å; V55-A58 CarbonylContact O-C 3.53Å; V55-A58 WeakPolarHBondContact O-CA 3.35Å; V55-A58 WeakPolarHBondContact O-CB 3.09Å; V55-A58 PolarHBondContact O-N 3.19Å; V55-I59 HydrophobicContact CG1-CD1 3.87Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 PolarHBondContact O-N 3.37Å |
| 56 | A | 76.5 | Confident | 76.1 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.4 | -33.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | H60 | A56-H60 VanDerWaalsContact O-CB 3.29Å; A56-H60 WeakPolarHBondContact O-CB 3.24Å; A56-H60 PolarHBondContact O-N 2.96Å; A56-H60 VanDerWaalsContact O-N 3.12Å |
| 57 | A | 80 | Confident | 75.8 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73 | -28.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M52 T54 V55 H61 | M52-A57 HydrophobicContact CB-CB 4.45Å; T54-A57 WeakPolarHBondContact O-CB 3.29Å; T54-A57 PolarHBondContact O-N 3.38Å; T54-A57 WeakPolarHBondContact OG1-CB 3.41Å; T54-A57 PolarHBondContact OG1-N 2.76Å; V55-A57 PolarHBondContact O-N 2.89Å; A57-H61 WeakPolarHBondContact O-CB 3.37Å; A57-H61 PolarHBondContact O-N 2.66Å |
| 58 | A | 82.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L27 I32 L43 M52 T54 V55 H60 H61 T62 | L27-A58 HydrophobicContact CD2-CB 3.55Å; I32-A58 HydrophobicContact CD1-CB 4.14Å; I32-A58 HydrophobicContact CG2-CB 4.12Å; L43-A58 HydrophobicContact CD1-CB 3.7Å; M52-A58 HydrophobicContact CE-CB 3.83Å; M52-A58 HydrophobicContact SD-CB 4.1Å; T54-A58 PolarHBondContact O-N 3.33Å; T54-A58 VanDerWaalsContact O-N 3.15Å; V55-A58 CarbonylContact O-C 3.53Å; V55-A58 WeakPolarHBondContact O-CA 3.35Å; V55-A58 WeakPolarHBondContact O-CB 3.09Å; V55-A58 PolarHBondContact O-N 3.19Å; A58-H60 VanDerWaalsContact C-N 3.29Å; A58-H60 PolarHBondContact O-N 3.02Å; A58-H61 WeakPolarHBondContact O-CA 3.32Å; A58-H61 WeakPolarHBondContact O-CB 2.98Å; A58-H61 PolarHBondContact O-N 3.44Å; A58-T62 PolarHBondContact O-N 2.98Å |
| 59 | I | 78.1 | Confident | 74.8 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | 176.5 | -60.5 | 169.3 | 0 | 0 | 0 | 111.3 | Y26 V55 H61 T62 S63 | Y26-I59 HydrophobicContact CD1-CG1 4.25Å; Y26-I59 HydrophobicContact CE1-CB 4.42Å; Y26-I59 HydrophobicContact CE1-CG1 4.03Å; Y26-I59 HydrophobicContact CE1-CG2 4.16Å; V55-I59 HydrophobicContact CG1-CD1 3.87Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 PolarHBondContact O-N 3.37Å; I59-H61 VanDerWaalsContact C-N 3.3Å; I59-T62 PolarHBondContact O-OG1 2.95Å; I59-T62 VanDerWaalsContact O-OG1 3.06Å; I59-S63 PolarHBondContact O-OG 2.68Å |
| 60 | H | 77 | Confident | 74.3 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.1 | -18.8 | 169.3 | -168 | -38.2 | 0 | 0 | 0 | 112.8 | A56 A58 S63 K1329 | A56-H60 VanDerWaalsContact O-CB 3.29Å; A56-H60 WeakPolarHBondContact O-CB 3.24Å; A56-H60 PolarHBondContact O-N 2.96Å; A56-H60 VanDerWaalsContact O-N 3.12Å; A58-H60 VanDerWaalsContact C-N 3.29Å; A58-H60 PolarHBondContact O-N 3.02Å; H60-S63 WeakPolarHBondContact CA-OG 3.36Å; H60-S63 PolarHBondContact O-OG 2.94Å; H60-K1329 PolarHBondContact CD2-NZ 2.76Å; H60-K1329 PolarHBondContact NE2-NZ 2.75Å |
| 61 | H | 82.7 | Confident | 73.9 | Confident | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -83.8 | -40 | 175.9 | 172.5 | 55.3 | 0 | 0 | 0 | 112.2 | C45 C48 M52 A57 A58 I59 S63 S64 H67 | C45-H61 VanDerWaalsContact CB-NE2 3.34Å; C45-H61 WeakPolarHBondContact CB-NE2 3.39Å; C45-H61 PolarHBondContact SG-NE2 3.17Å; C45-H61 VanDerWaalsContact SG-NE2 3.36Å; C48-H61 WeakPolarHBondContact CB-NE2 3.48Å; M52-H61 HydrophobicContact SD-CB 3.4Å; M52-H61 WeakPolarHBondContact SD-CB 3.49Å; M52-H61 VanDerWaalsContact SD-CD2 3.53Å; M52-H61 VanDerWaalsContact SD-CG 3.59Å; A57-H61 WeakPolarHBondContact O-CB 3.37Å; A57-H61 PolarHBondContact O-N 2.66Å; A58-H61 WeakPolarHBondContact O-CA 3.32Å; A58-H61 WeakPolarHBondContact O-CB 2.98Å; A58-H61 PolarHBondContact O-N 3.44Å; I59-H61 VanDerWaalsContact C-N 3.3Å; H61-S63 VanDerWaalsContact C-N 3.27Å; H61-S63 PolarHBondContact O-N 2.89Å; H61-S64 VanDerWaalsContact O-CB 3.28Å; H61-S64 WeakPolarHBondContact O-CB 3.22Å; H61-S64 PolarHBondContact O-N 3.36Å; H61-S64 PolarHBondContact O-OG 3.4Å; H61-H67 AromaticContact CD2-ND1 3.43Å; H61-H67 PolarHBondContact CD2-ND1 3.32Å; H61-H67 AromaticContact CE1-ND1 3.79Å; H61-H67 AromaticContact NE2-ND1 3.12Å; H61-H67 PolarHBondContact NE2-ND1 2.74Å; H61-H67 VanDerWaalsContact NE2-ND1 3.12Å; H61-H67 WeakPolarHBondContact O-CB 3.24Å |
| 62 | T | 77.2 | Confident | 73 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | Y26 N30 I32 A58 I59 S64 H67 N68 | Y26-T62 HydrophobicContact CE1-CG2 4.1Å; Y26-T62 PolarHBondContact OH-OG1 3.32Å; N30-T62 HydrophobicContact CB-CG2 3.46Å; N30-T62 VanDerWaalsContact CB-CG2 3.46Å; N30-T62 WeakPolarHBondContact OD1-CB 3.27Å; N30-T62 WeakPolarHBondContact OD1-CG2 3.45Å; I32-T62 HydrophobicContact CD1-CG2 3.45Å; I32-T62 VanDerWaalsContact CD1-CG2 3.45Å; A58-T62 PolarHBondContact O-N 2.98Å; I59-T62 PolarHBondContact O-OG1 2.95Å; I59-T62 VanDerWaalsContact O-OG1 3.06Å; T62-S64 PolarHBondContact O-N 3.03Å; T62-H67 PolarHBondContact O-CD2 2.88Å; T62-N68 PolarHBondContact O-OD1 3.25Å; T62-N68 VanDerWaalsContact O-OD1 3.12Å |
| 63 | S | 72.7 | Confident | 72.1 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 54% | 0.538 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 11.9 | 175.2 | 46.3 | 0 | 0 | 0 | 0 | 115.4 | I59 H60 H61 | I59-S63 PolarHBondContact O-OG 2.68Å; H60-S63 WeakPolarHBondContact CA-OG 3.36Å; H60-S63 PolarHBondContact O-OG 2.94Å; H61-S63 VanDerWaalsContact C-N 3.27Å; H61-S63 PolarHBondContact O-N 2.89Å |
| 64 | S | 69.1 | Low | 71.6 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -95 | 139.1 | 175.1 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | H61 T62 S66 H67 N68 | H61-S64 VanDerWaalsContact O-CB 3.28Å; H61-S64 WeakPolarHBondContact O-CB 3.22Å; H61-S64 PolarHBondContact O-N 3.36Å; H61-S64 PolarHBondContact O-OG 3.4Å; T62-S64 PolarHBondContact O-N 3.03Å; S64-S66 PolarHBondContact O-N 2.84Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S64-S66 PolarHBondContact OG-OG 2.85Å; S64-S66 VanDerWaalsContact OG-OG 3.14Å; S64-H67 WeakPolarHBondContact O-CA 3.47Å; S64-H67 WeakPolarHBondContact O-CB 3.44Å; S64-H67 PolarHBondContact O-N 2.85Å; S64-H67 WeakPolarHBondContact OG-CB 3.43Å; S64-H67 PolarHBondContact OG-N 2.69Å; S64-N68 PolarHBondContact O-N 2.99Å |
| 65 | N | 57.3 | Low | 71.2 | Confident | 142 Ų | 142 | 49.3 Ų | 49.3 | 76% | 0.759 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.1 | -33.5 | 178.6 | -59.8 | 27.4 | 0 | 0 | 0 | 112.8 | A69 | N65-A69 VanDerWaalsContact O-CB 3.32Å; N65-A69 WeakPolarHBondContact O-CB 3.22Å; N65-A69 PolarHBondContact O-N 2.8Å |
| 66 | S | 56 | Low | 71 | Confident | 21 Ų | 21 | 49 Ų | 49 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 173.4 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | S64 N70 | S64-S66 PolarHBondContact O-N 2.84Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S64-S66 PolarHBondContact OG-OG 2.85Å; S64-S66 VanDerWaalsContact OG-OG 3.14Å; S66-N70 WeakPolarHBondContact O-CB 3.38Å; S66-N70 PolarHBondContact O-N 3.29Å; S66-N70 PolarHBondContact O-ND2 2.76Å; S66-N70 VanDerWaalsContact O-ND2 3.09Å |
| 67 | H | 72.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.2 | -52.1 | 174.5 | -174.4 | 101.9 | 0 | 0 | 0 | 110.3 | N30 C45 H61 T62 S64 A69 N70 L71 | N30-H67 PolarHBondContact O-CE1 2.86Å; N30-H67 PolarHBondContact OD1-NE2 3.48Å; C45-H67 PolarHBondContact SG-CE1 3.36Å; C45-H67 PolarHBondContact SG-ND1 3.4Å; C45-H67 VanDerWaalsContact SG-ND1 3.42Å; H61-H67 AromaticContact CD2-ND1 3.43Å; H61-H67 PolarHBondContact CD2-ND1 3.32Å; H61-H67 AromaticContact CE1-ND1 3.79Å; H61-H67 AromaticContact NE2-ND1 3.12Å; H61-H67 PolarHBondContact NE2-ND1 2.74Å; H61-H67 VanDerWaalsContact NE2-ND1 3.12Å; H61-H67 WeakPolarHBondContact O-CB 3.24Å; T62-H67 PolarHBondContact O-CD2 2.88Å; S64-H67 WeakPolarHBondContact O-CA 3.47Å; S64-H67 WeakPolarHBondContact O-CB 3.44Å; S64-H67 PolarHBondContact O-N 2.85Å; S64-H67 WeakPolarHBondContact OG-CB 3.43Å; S64-H67 PolarHBondContact OG-N 2.69Å; H67-A69 VanDerWaalsContact C-N 3.33Å; H67-A69 PolarHBondContact O-N 3.28Å; H67-N70 CarbonylContact O-C 3.22Å; H67-N70 PolarHBondContact O-N 3.49Å; H67-N70 VanDerWaalsContact O-N 3.1Å; H67-L71 VanDerWaalsContact O-CB 3.24Å; H67-L71 WeakPolarHBondContact O-CB 3.16Å; H67-L71 PolarHBondContact O-N 3.31Å |
| 68 | N | 63.5 | Low | 71.2 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56 | -42.7 | 179.1 | -71 | -13.2 | 0 | 0 | 0 | 113 | T62 S64 L71 M72 | T62-N68 PolarHBondContact O-OD1 3.25Å; T62-N68 VanDerWaalsContact O-OD1 3.12Å; S64-N68 PolarHBondContact O-N 2.99Å; N68-L71 PolarHBondContact O-N 3.2Å; N68-M72 WeakPolarHBondContact O-CB 3.35Å; N68-M72 WeakPolarHBondContact O-CG 3.38Å; N68-M72 PolarHBondContact O-N 3.5Å |
| 69 | A | 59.1 | Low | 71.1 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N65 H67 T73 | N65-A69 VanDerWaalsContact O-CB 3.32Å; N65-A69 WeakPolarHBondContact O-CB 3.22Å; N65-A69 PolarHBondContact O-N 2.8Å; H67-A69 VanDerWaalsContact C-N 3.33Å; H67-A69 PolarHBondContact O-N 3.28Å; A69-T73 PolarHBondContact O-N 3.05Å; A69-T73 PolarHBondContact O-OG1 3.05Å |
| 70 | N | 66.5 | Low | 71.6 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.1 | -32.8 | 176.4 | -65.9 | -19.7 | 0 | 0 | 0 | 111.5 | V47 C48 S66 H67 T73 A74 | V47-N70 HydrophobicContact CG1-CB 3.64Å; V47-N70 VanDerWaalsContact CG1-O 3.24Å; V47-N70 WeakPolarHBondContact CG1-O 3.39Å; C48-N70 PolarHBondContact SG-ND2 3.35Å; S66-N70 WeakPolarHBondContact O-CB 3.38Å; S66-N70 PolarHBondContact O-N 3.29Å; S66-N70 PolarHBondContact O-ND2 2.76Å; S66-N70 VanDerWaalsContact O-ND2 3.09Å; H67-N70 CarbonylContact O-C 3.22Å; H67-N70 PolarHBondContact O-N 3.49Å; H67-N70 VanDerWaalsContact O-N 3.1Å; N70-T73 CarbonylContact O-C 3.6Å; N70-T73 WeakPolarHBondContact O-CB 3.41Å; N70-T73 PolarHBondContact O-N 3.28Å; N70-A74 PolarHBondContact O-N 2.97Å |
| 71 | L | 70 | Confident | 72.1 | Confident | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -49.7 | 179.7 | -176 | 69.2 | 0 | 0 | 0 | 110.1 | Y31 V47 H67 N68 T73 A74 E75 | Y31-L71 HydrophobicContact CD2-CD1 3.67Å; Y31-L71 HydrophobicContact CE2-CD1 3.76Å; V47-L71 HydrophobicContact CG1-CB 4.38Å; V47-L71 HydrophobicContact CG2-CD1 4.12Å; H67-L71 VanDerWaalsContact O-CB 3.24Å; H67-L71 WeakPolarHBondContact O-CB 3.16Å; H67-L71 PolarHBondContact O-N 3.31Å; N68-L71 PolarHBondContact O-N 3.2Å; L71-T73 PolarHBondContact O-N 2.81Å; L71-A74 CarbonylContact O-C 3.57Å; L71-A74 WeakPolarHBondContact O-CA 3.44Å; L71-A74 WeakPolarHBondContact O-CB 3.45Å; L71-A74 PolarHBondContact O-N 3.27Å; L71-E75 WeakPolarHBondContact O-CG 3.42Å; L71-E75 PolarHBondContact O-N 2.97Å |
| 72 | M | 65.2 | Low | 72.3 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.6 | -37.7 | 169.8 | -70.4 | -83.8 | 163.9 | 0 | 0 | 111.8 | N68 L76 L1050 | N68-M72 WeakPolarHBondContact O-CB 3.35Å; N68-M72 WeakPolarHBondContact O-CG 3.38Å; N68-M72 PolarHBondContact O-N 3.5Å; M72-L76 WeakPolarHBondContact O-CB 3.27Å; M72-L76 PolarHBondContact O-N 3.21Å; M72-L1050 HydrophobicContact CB-CD1 4.32Å; M72-L1050 HydrophobicContact CB-CD2 4.22Å; M72-L1050 HydrophobicContact SD-CD2 3.74Å |
| 73 | T | 67.8 | Low | 72.8 | Confident | 71 Ų | 71 | 47 Ų | 47 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.6 | -32.5 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | A69 N70 L71 K77 | A69-T73 PolarHBondContact O-N 3.05Å; A69-T73 PolarHBondContact O-OG1 3.05Å; N70-T73 CarbonylContact O-C 3.6Å; N70-T73 WeakPolarHBondContact O-CB 3.41Å; N70-T73 PolarHBondContact O-N 3.28Å; L71-T73 PolarHBondContact O-N 2.81Å; T73-K77 WeakPolarHBondContact O-CB 3.47Å; T73-K77 PolarHBondContact O-N 3.2Å |
| 74 | A | 70.6 | Confident | 73.4 | Confident | 31 Ų | 31 | 44 Ų | 44 | 26% | 0.256 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V47 N70 L71 K77 S78 | V47-A74 HydrophobicContact CG1-CB 4Å; N70-A74 PolarHBondContact O-N 2.97Å; L71-A74 CarbonylContact O-C 3.57Å; L71-A74 WeakPolarHBondContact O-CA 3.44Å; L71-A74 WeakPolarHBondContact O-CB 3.45Å; L71-A74 PolarHBondContact O-N 3.27Å; A74-K77 CarbonylContact O-C 3.3Å; A74-K77 PolarHBondContact O-N 3.35Å; A74-S78 PolarHBondContact O-N 3.07Å |
| 75 | E | 72.1 | Confident | 74.3 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 171.5 | -70.4 | 176.8 | 164.6 | 0 | 0 | 110.5 | L71 K77 S78 T79 | L71-E75 WeakPolarHBondContact O-CG 3.42Å; L71-E75 PolarHBondContact O-N 2.97Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 3.01Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.45Å; E75-S78 VanDerWaalsContact O-CB 3.26Å; E75-S78 WeakPolarHBondContact O-CB 3.3Å; E75-S78 PolarHBondContact O-N 3.06Å; E75-T79 PolarHBondContact O-N 3.03Å; E75-T79 PolarHBondContact O-OG1 2.77Å; E75-T79 VanDerWaalsContact O-OG1 3.08Å |
| 76 | L | 75.7 | Confident | 75.9 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.3 | -46.7 | 171.3 | 172.9 | 70.7 | 0 | 0 | 0 | 112.3 | M72 S78 T79 L80 L503 V1047 L1048 L1050 | M72-L76 WeakPolarHBondContact O-CB 3.27Å; M72-L76 PolarHBondContact O-N 3.21Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.95Å; L76-T79 PolarHBondContact O-N 3.31Å; L76-L80 HydrophobicContact CD1-CD1 3.72Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.94Å; L76-L503 HydrophobicContact CD2-CD2 3.68Å; L76-L503 HydrophobicContact CD2-CG 4.27Å; L76-L503 HydrophobicContact CG-CD2 4.07Å; L76-V1047 HydrophobicContact CD1-CG1 4.09Å; L76-V1047 HydrophobicContact CD2-CB 4.16Å; L76-V1047 HydrophobicContact CD2-CG1 3.65Å; L76-V1047 HydrophobicContact CG-CG1 4.49Å; L76-L1048 HydrophobicContact CD1-CB 3.86Å; L76-L1048 HydrophobicContact CD1-CD1 3.58Å; L76-L1048 HydrophobicContact CD1-CG 3.56Å; L76-L1050 HydrophobicContact CB-CD1 4.01Å; L76-L1050 HydrophobicContact CD1-CD1 4.42Å; L76-L1050 HydrophobicContact CD2-CD1 3.79Å; L76-L1050 HydrophobicContact CG-CD1 4.28Å |
| 77 | K | 79.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -33.3 | 178.6 | -172.1 | 167.8 | -176.9 | 167.9 | 0 | 111.5 | T73 A74 E75 L81 L445 F446 L503 | T73-K77 WeakPolarHBondContact O-CB 3.47Å; T73-K77 PolarHBondContact O-N 3.2Å; A74-K77 CarbonylContact O-C 3.3Å; A74-K77 PolarHBondContact O-N 3.35Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 3.01Å; K77-L81 WeakPolarHBondContact O-CB 3.36Å; K77-L81 PolarHBondContact O-N 3.09Å; K77-L445 WeakPolarHBondContact CE-O 3.49Å; K77-L445 PolarHBondContact NZ-O 3.26Å; K77-F446 HydrophobicContact CD-CE1 4.29Å; K77-F446 HydrophobicContact CG-CE1 3.62Å; K77-F446 HydrophobicContact CG-CZ 4.29Å; K77-F446 WeakPolarHBondContact O-CE1 3.38Å; K77-L503 HydrophobicContact CB-CD2 4.31Å; K77-L503 HydrophobicContact CG-CD1 4.4Å |
| 78 | S | 79.2 | Confident | 78.7 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 32% | 0.315 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -55.8 | 171.4 | -168 | 0 | 0 | 0 | 0 | 110.9 | A74 E75 L76 L80 L81 Y82 | A74-S78 PolarHBondContact O-N 3.07Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.45Å; E75-S78 VanDerWaalsContact O-CB 3.26Å; E75-S78 WeakPolarHBondContact O-CB 3.3Å; E75-S78 PolarHBondContact O-N 3.06Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.95Å; S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact O-N 2.82Å; S78-L81 WeakPolarHBondContact O-CB 3.36Å; S78-L81 PolarHBondContact O-N 2.92Å; S78-Y82 WeakPolarHBondContact O-CD2 3.21Å; S78-Y82 PolarHBondContact O-N 3.5Å |
| 79 | T | 81.3 | Confident | 80.1 | Confident | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.4 | -44.9 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 112 | E75 L76 Y82 L83 I525 | E75-T79 PolarHBondContact O-N 3.03Å; E75-T79 PolarHBondContact O-OG1 2.77Å; E75-T79 VanDerWaalsContact O-OG1 3.08Å; L76-T79 PolarHBondContact O-N 3.31Å; T79-Y82 PolarHBondContact O-N 3.29Å; T79-L83 PolarHBondContact O-N 2.88Å; T79-I525 HydrophobicContact CG2-CB 4.19Å; T79-I525 HydrophobicContact CG2-CD1 4.07Å; T79-I525 HydrophobicContact CG2-CG1 4.12Å; T79-I525 WeakPolarHBondContact O-CD1 3.47Å |
| 80 | L | 87.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.8 | -28.7 | 178.6 | -69.3 | 174 | 0 | 0 | 0 | 113.5 | L76 S78 Y82 L83 F446 L503 Y506 V511 L1048 | L76-L80 HydrophobicContact CD1-CD1 3.72Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 WeakPolarHBondContact O-CB 3.25Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.94Å; S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact O-N 2.82Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 3.01Å; L80-L83 HydrophobicContact CD2-CD1 3.52Å; L80-L83 HydrophobicContact CD2-CG 4.25Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 2.64Å; L80-F446 HydrophobicContact CB-CE2 4.49Å; L80-F446 HydrophobicContact CB-CZ 3.88Å; L80-L503 HydrophobicContact CB-CD1 4.22Å; L80-L503 HydrophobicContact CD1-CD1 3.48Å; L80-L503 VanDerWaalsContact CD1-CD1 3.48Å; L80-L503 HydrophobicContact CD1-CG 3.64Å; L80-L503 HydrophobicContact CG-CD1 4.49Å; L80-Y506 HydrophobicContact CB-CD1 4.13Å; L80-Y506 HydrophobicContact CB-CE1 4.21Å; L80-Y506 HydrophobicContact CD2-CD1 4.19Å; L80-Y506 HydrophobicContact CD2-CE1 4.49Å; L80-Y506 WeakPolarHBondContact O-CE1 2.93Å; L80-V511 HydrophobicContact CD2-CG2 3.96Å; L80-L1048 HydrophobicContact CD2-CD1 3.94Å; L80-L1048 HydrophobicContact CG-CD1 4.19Å |
| 81 | L | 87.8 | Confident | 83.2 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 172 | 173.2 | 63 | 0 | 0 | 0 | 111.4 | K77 S78 R442 F446 | K77-L81 WeakPolarHBondContact O-CB 3.36Å; K77-L81 PolarHBondContact O-N 3.09Å; S78-L81 WeakPolarHBondContact O-CB 3.36Å; S78-L81 PolarHBondContact O-N 2.92Å; L81-R442 PolarHBondContact O-NH1 3.49Å; L81-F446 HydrophobicContact CB-CD1 3.85Å; L81-F446 HydrophobicContact CB-CE1 3.67Å; L81-F446 HydrophobicContact CB-CZ 4.36Å; L81-F446 HydrophobicContact CD1-CB 3.89Å; L81-F446 HydrophobicContact CD1-CD1 3.6Å; L81-F446 HydrophobicContact CD1-CE1 4.33Å; L81-F446 HydrophobicContact CD1-CG 3.88Å; L81-F446 HydrophobicContact CG-CD1 4.27Å |
| 82 | Y | 86.8 | Confident | 84.4 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 11.6 | -177.4 | -62.4 | -67.9 | 0 | 0 | 0 | 114.5 | S78 T79 L80 P84 V527 V1001 | S78-Y82 WeakPolarHBondContact O-CD2 3.21Å; S78-Y82 PolarHBondContact O-N 3.5Å; T79-Y82 PolarHBondContact O-N 3.29Å; L80-Y82 VanDerWaalsContact C-N 3.27Å; L80-Y82 PolarHBondContact O-N 3.01Å; Y82-P84 WeakPolarHBondContact O-CD 3.26Å; Y82-V527 HydrophobicContact CD1-CB 4.42Å; Y82-V527 HydrophobicContact CD1-CG1 3.69Å; Y82-V527 HydrophobicContact CD1-CG2 4.25Å; Y82-V527 HydrophobicContact CD2-CG1 4.47Å; Y82-V527 HydrophobicContact CD2-CG2 4.12Å; Y82-V527 HydrophobicContact CE1-CG1 4.45Å; Y82-V527 HydrophobicContact CE1-CG2 4.35Å; Y82-V527 HydrophobicContact CE2-CG2 4.23Å; Y82-V527 HydrophobicContact CG-CG1 3.74Å; Y82-V527 HydrophobicContact CG-CG2 4.17Å; Y82-V1001 HydrophobicContact CD1-CG1 3.38Å; Y82-V1001 HydrophobicContact CE1-CG1 3.76Å; Y82-V1001 HydrophobicContact CG-CG1 4.45Å |
| 83 | L | 87.6 | Confident | 85.9 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -56 | 121 | 178.8 | -110.2 | 174.6 | 0 | 0 | 0 | 112.4 | T79 L80 Y506 G510 V511 F522 I525 R998 | T79-L83 PolarHBondContact O-N 2.88Å; L80-L83 HydrophobicContact CD2-CD1 3.52Å; L80-L83 HydrophobicContact CD2-CG 4.25Å; L80-L83 WeakPolarHBondContact O-CB 3.33Å; L80-L83 PolarHBondContact O-N 2.64Å; L83-Y506 HydrophobicContact CD1-CD1 4.24Å; L83-Y506 HydrophobicContact CD1-CE1 3.62Å; L83-G510 WeakPolarHBondContact CD2-O 3.4Å; L83-V511 HydrophobicContact CD1-CG2 4.08Å; L83-V511 HydrophobicContact CD2-CG2 4.02Å; L83-V511 HydrophobicContact CG-CG2 4.34Å; L83-F522 HydrophobicContact CD2-CE2 4.21Å; L83-F522 HydrophobicContact CD2-CZ 4.1Å; L83-I525 HydrophobicContact CD2-CD1 4.41Å; L83-I525 HydrophobicContact CG-CD1 4.48Å; L83-R998 PolarHBondContact O-NH2 3.21Å |
| 84 | P | 85.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 10% | 0.097 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 169.1 | 173.2 | 16 | -24.8 | 0 | 0 | 0 | 113.4 | Y82 R998 P1004 Y1013 | Y82-P84 WeakPolarHBondContact O-CD 3.26Å; P84-R998 PolarHBondContact O-NH2 3.09Å; P84-P1004 HydrophobicContact CB-CG 3.97Å; P84-P1004 HydrophobicContact CG-CG 4.02Å; P84-Y1013 HydrophobicContact CB-CE2 4.25Å; P84-Y1013 HydrophobicContact CG-CD2 3.75Å; P84-Y1013 HydrophobicContact CG-CE1 4.45Å; P84-Y1013 HydrophobicContact CG-CE2 3.28Å; P84-Y1013 HydrophobicContact CG-CG 4.5Å |
| 85 | P | 87.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 39.5 Ų | 39.5 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -58.8 | 142.3 | 165.7 | -19.7 | 33.3 | 0 | 0 | 0 | 111.1 | ||
| 86 | I | 92.3 | Very high | 89.5 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.087 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 145.5 | 175.1 | 64.4 | 173.8 | 0 | 0 | 0 | 110.9 | H90 R91 L94 A434 L438 | I86-H90 HydrophobicContact CB-CB 4.23Å; I86-H90 VanDerWaalsContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-ND1 3.28Å; I86-R91 HydrophobicContact CD1-CB 3.91Å; I86-R91 HydrophobicContact CD1-CG 4.2Å; I86-R91 HydrophobicContact CG1-CB 4.27Å; I86-R91 PolarHBondContact O-NH2 3.27Å; I86-L94 HydrophobicContact CD1-CD2 4.43Å; I86-A434 HydrophobicContact CD1-CB 4.31Å; I86-L438 HydrophobicContact CD1-CD1 3.94Å; I86-L438 HydrophobicContact CG2-CD1 3.66Å |
| 87 | T | 93.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -69 | 160.8 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | S89 H90 R91 L1018 | T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.07Å; T87-H90 WeakPolarHBondContact O-CB 3.47Å; T87-H90 PolarHBondContact O-N 3.48Å; T87-R91 WeakPolarHBondContact O-CB 3.31Å; T87-R91 PolarHBondContact O-N 3.01Å; T87-L1018 HydrophobicContact CG2-CB 4Å |
| 88 | D | 93.5 | Very high | 91.1 | Very high | 103 Ų | 103 | 38.1 Ų | 38.1 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.6 | -30.4 | -177.8 | -66.4 | -33.3 | 0 | 0 | 0 | 113.2 | R91 I92 | D88-R91 WeakPolarHBondContact O-CB 3.4Å; D88-R91 PolarHBondContact O-N 3.37Å; D88-R91 IonicContact OD1-CZ 2.86Å; D88-R91 VanDerWaalsContact OD1-CZ 3.24Å; D88-R91 IonicContact OD1-NE 2.74Å; D88-R91 PolarHBondContact OD1-NE 2.65Å; D88-R91 IonicContact OD1-NH2 3.26Å; D88-R91 PolarHBondContact OD1-NH2 3.11Å; D88-I92 WeakPolarHBondContact O-CB 3.41Å; D88-I92 WeakPolarHBondContact O-CD1 3.4Å; D88-I92 WeakPolarHBondContact O-CG1 3.27Å; D88-I92 PolarHBondContact O-N 2.76Å |
| 89 | S | 94.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 171 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | T87 A93 L1021 | T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.07Å; S89-A93 PolarHBondContact O-N 2.76Å; S89-L1021 WeakPolarHBondContact CB-O 3.46Å; S89-L1021 PolarHBondContact OG-O 3.19Å |
| 90 | H | 95.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 174.6 | -179.6 | 174.3 | 0 | 0 | 0 | 110.4 | I86 T87 I92 A93 L94 F509 G510 V511 P512 F1026 F1028 | I86-H90 HydrophobicContact CB-CB 4.23Å; I86-H90 VanDerWaalsContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-CE1 3.44Å; I86-H90 WeakPolarHBondContact CG2-ND1 3.28Å; T87-H90 WeakPolarHBondContact O-CB 3.47Å; T87-H90 PolarHBondContact O-N 3.48Å; H90-I92 PolarHBondContact O-N 3.02Å; H90-A93 PolarHBondContact O-N 3.09Å; H90-L94 WeakPolarHBondContact NE2-CD2 3.27Å; H90-L94 VanDerWaalsContact O-CB 3.31Å; H90-L94 WeakPolarHBondContact O-CB 3.41Å; H90-L94 PolarHBondContact O-N 2.8Å; H90-F509 PolarHBondContact CE1-O 3.34Å; H90-F509 VanDerWaalsContact CE1-O 3.28Å; H90-F509 PolarHBondContact NE2-O 3.3Å; H90-G510 PolarHBondContact CE1-O 3.41Å; H90-V511 VanDerWaalsContact CE1-C 3.46Å; H90-P512 WeakPolarHBondContact CE1-CD 3.3Å; H90-F1026 HydrophobicContact CB-CE2 4.15Å; H90-F1026 HydrophobicContact CB-CZ 4.16Å; H90-F1028 AromaticContact CD2-CE2 3.5Å; H90-F1028 VanDerWaalsContact CD2-CE2 3.5Å; H90-F1028 WeakPolarHBondContact CD2-CE2 3.48Å; H90-F1028 AromaticContact CD2-CZ 3.16Å; H90-F1028 WeakPolarHBondContact CD2-CZ 3.38Å; H90-F1028 AromaticContact NE2-CE1 3.25Å; H90-F1028 VanDerWaalsContact NE2-CE1 3.25Å; H90-F1028 WeakPolarHBondContact NE2-CE1 3.33Å; H90-F1028 AromaticContact NE2-CE2 3.94Å; H90-F1028 AromaticContact NE2-CZ 3.19Å; H90-F1028 WeakPolarHBondContact NE2-CZ 3.38Å |
| 91 | R | 95.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 21% | 0.211 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54 | -49.5 | 176.4 | -165.9 | -169.5 | -44.1 | -58.7 | -15.5 | 112 | I86 T87 D88 D95 C432 D435 | I86-R91 HydrophobicContact CD1-CB 3.91Å; I86-R91 HydrophobicContact CD1-CG 4.2Å; I86-R91 HydrophobicContact CG1-CB 4.27Å; I86-R91 PolarHBondContact O-NH2 3.27Å; T87-R91 WeakPolarHBondContact O-CB 3.31Å; T87-R91 PolarHBondContact O-N 3.01Å; D88-R91 WeakPolarHBondContact O-CB 3.4Å; D88-R91 PolarHBondContact O-N 3.37Å; D88-R91 IonicContact OD1-CZ 2.86Å; D88-R91 VanDerWaalsContact OD1-CZ 3.24Å; D88-R91 IonicContact OD1-NE 2.74Å; D88-R91 PolarHBondContact OD1-NE 2.65Å; D88-R91 IonicContact OD1-NH2 3.26Å; D88-R91 PolarHBondContact OD1-NH2 3.11Å; R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.08Å; R91-C432 WeakPolarHBondContact CG-SG 3.36Å; R91-D435 IonicContact CZ-OD2 3.77Å; R91-D435 IonicContact NE-OD2 2.85Å; R91-D435 IonicContact NH1-OD1 3.97Å; R91-D435 PolarHBondContact NH1-OD1 3.44Å; R91-D435 IonicContact NH1-OD2 2.8Å; R91-D435 PolarHBondContact NH1-OD2 3.45Å |
| 92 | I | 95.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -47.2 | -179.9 | -70.2 | 162.9 | 0 | 0 | 0 | 111.1 | D88 H90 S96 P1023 | D88-I92 WeakPolarHBondContact O-CB 3.41Å; D88-I92 WeakPolarHBondContact O-CD1 3.4Å; D88-I92 WeakPolarHBondContact O-CG1 3.27Å; D88-I92 PolarHBondContact O-N 2.76Å; H90-I92 PolarHBondContact O-N 3.02Å; I92-S96 WeakPolarHBondContact O-CB 3.46Å; I92-S96 PolarHBondContact O-N 2.96Å; I92-S96 VanDerWaalsContact O-N 3.11Å; I92-P1023 HydrophobicContact CB-CG 4.22Å; I92-P1023 HydrophobicContact CG2-CB 4.11Å; I92-P1023 HydrophobicContact CG2-CG 4Å |
| 93 | A | 95.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S89 H90 E97 P1023 F1026 F1028 | S89-A93 PolarHBondContact O-N 2.76Å; H90-A93 PolarHBondContact O-N 3.09Å; A93-E97 PolarHBondContact O-N 3.43Å; A93-P1023 HydrophobicContact CB-CB 4.27Å; A93-P1023 WeakPolarHBondContact CB-O 3.34Å; A93-F1026 HydrophobicContact CB-CB 4.03Å; A93-F1026 HydrophobicContact CB-CD2 4.15Å; A93-F1028 HydrophobicContact CB-CD2 4.25Å; A93-F1028 HydrophobicContact CB-CE2 4.02Å |
| 94 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.1 | -43.6 | -179.5 | -178.9 | 57.4 | 0 | 0 | 0 | 112.2 | I86 H90 S96 E97 L98 A434 L438 F509 F1028 | I86-L94 HydrophobicContact CD1-CD2 4.43Å; H90-L94 WeakPolarHBondContact NE2-CD2 3.27Å; H90-L94 VanDerWaalsContact O-CB 3.31Å; H90-L94 WeakPolarHBondContact O-CB 3.41Å; H90-L94 PolarHBondContact O-N 2.8Å; L94-S96 VanDerWaalsContact C-N 3.3Å; L94-S96 PolarHBondContact O-N 3.4Å; L94-E97 PolarHBondContact O-N 3.36Å; L94-L98 HydrophobicContact CD1-CD1 3.84Å; L94-L98 HydrophobicContact CD1-CD2 4.37Å; L94-L98 HydrophobicContact CD1-CG 3.86Å; L94-L98 HydrophobicContact CG-CD1 3.77Å; L94-L98 HydrophobicContact CG-CG 4.25Å; L94-L98 WeakPolarHBondContact O-CB 3.16Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.16Å; L94-A434 HydrophobicContact CB-CB 3.97Å; L94-A434 HydrophobicContact CD2-CB 3.83Å; L94-A434 HydrophobicContact CG-CB 3.7Å; L94-L438 HydrophobicContact CD2-CD1 3.94Å; L94-L438 HydrophobicContact CD2-CD2 4.37Å; L94-L438 HydrophobicContact CD2-CG 4.12Å; L94-F509 HydrophobicContact CD1-CB 4.1Å; L94-F509 HydrophobicContact CD1-CD1 3.5Å; L94-F509 VanDerWaalsContact CD1-CD1 3.5Å; L94-F509 HydrophobicContact CD1-CE1 4.26Å; L94-F509 HydrophobicContact CD1-CG 4.13Å; L94-F509 HydrophobicContact CD2-CB 4.2Å; L94-F1028 HydrophobicContact CB-CD2 3.86Å; L94-F1028 HydrophobicContact CB-CE2 4.02Å; L94-F1028 HydrophobicContact CB-CG 4.46Å; L94-F1028 HydrophobicContact CD1-CB 3.93Å; L94-F1028 HydrophobicContact CD1-CD1 4.34Å; L94-F1028 HydrophobicContact CD1-CD2 4.12Å; L94-F1028 HydrophobicContact CD1-CG 3.87Å |
| 95 | D | 95.6 | Very high | 90.3 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 178.1 | 176.9 | 77.3 | 0 | 0 | 0 | 111.6 | R91 K99 C432 L433 A434 | R91-D95 WeakPolarHBondContact O-CB 3.32Å; R91-D95 PolarHBondContact O-N 3.08Å; D95-K99 VanDerWaalsContact CG-NZ 3.31Å; D95-K99 WeakPolarHBondContact O-CB 3.3Å; D95-K99 WeakPolarHBondContact O-CD 3.1Å; D95-K99 VanDerWaalsContact O-CG 3.24Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-N 2.96Å; D95-K99 WeakPolarHBondContact OD1-CE 3.44Å; D95-K99 IonicContact OD1-NZ 2.71Å; D95-K99 PolarHBondContact OD1-NZ 3.17Å; D95-K99 VanDerWaalsContact OD2-CE 3.27Å; D95-K99 WeakPolarHBondContact OD2-CE 3.23Å; D95-K99 IonicContact OD2-NZ 2.84Å; D95-K99 PolarHBondContact OD2-NZ 3.32Å; D95-C432 HydrophobicContact CB-CB 4.43Å; D95-C432 WeakPolarHBondContact OD1-CB 3.46Å; D95-L433 WeakPolarHBondContact OD1-CB 2.98Å; D95-L433 PolarHBondContact OD1-N 2.67Å; D95-A434 HydrophobicContact CB-CB 4.04Å |
| 96 | S | 94.2 | Very high | 89.9 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 54% | 0.538 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63 | -50.6 | 173.6 | -177 | 0 | 0 | 0 | 0 | 112.5 | I92 L94 K99 S100 | I92-S96 WeakPolarHBondContact O-CB 3.46Å; I92-S96 PolarHBondContact O-N 2.96Å; I92-S96 VanDerWaalsContact O-N 3.11Å; L94-S96 VanDerWaalsContact C-N 3.3Å; L94-S96 PolarHBondContact O-N 3.4Å; S96-K99 PolarHBondContact O-N 3.48Å; S96-S100 WeakPolarHBondContact O-CB 3.5Å; S96-S100 PolarHBondContact O-N 3.04Å |
| 97 | E | 94 | Very high | 89.3 | Confident | 51 Ų | 51 | 46 Ų | 46 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 179.1 | 175.4 | 57.4 | -163.1 | 0 | 0 | 112 | A93 L94 S100 A101 F1028 K1029 F1030 | A93-E97 PolarHBondContact O-N 3.43Å; L94-E97 PolarHBondContact O-N 3.36Å; E97-S100 WeakPolarHBondContact O-CB 3.12Å; E97-S100 PolarHBondContact O-N 2.74Å; E97-A101 WeakPolarHBondContact O-CB 3.13Å; E97-A101 PolarHBondContact O-N 3.36Å; E97-F1028 HydrophobicContact CB-CB 4.44Å; E97-F1028 HydrophobicContact CG-CB 4.22Å; E97-F1028 WeakPolarHBondContact CG-O 3.42Å; E97-K1029 WeakPolarHBondContact OE1-CA 3.37Å; E97-F1030 PolarHBondContact OE1-N 2.77Å |
| 98 | L | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 175.9 | -69.6 | 173.2 | 0 | 0 | 0 | 112 | L94 A101 S102 L337 L433 A434 W437 F509 F1030 | L94-L98 HydrophobicContact CD1-CD1 3.84Å; L94-L98 HydrophobicContact CD1-CD2 4.37Å; L94-L98 HydrophobicContact CD1-CG 3.86Å; L94-L98 HydrophobicContact CG-CD1 3.77Å; L94-L98 HydrophobicContact CG-CG 4.25Å; L94-L98 WeakPolarHBondContact O-CB 3.16Å; L94-L98 WeakPolarHBondContact O-CG 3.45Å; L94-L98 PolarHBondContact O-N 3.16Å; L98-A101 PolarHBondContact O-N 3.2Å; L98-S102 WeakPolarHBondContact O-CB 3.17Å; L98-S102 PolarHBondContact O-N 3.21Å; L98-L337 HydrophobicContact CB-CD1 4.04Å; L98-L337 HydrophobicContact CB-CD2 4.49Å; L98-L337 HydrophobicContact CD2-CD1 4.04Å; L98-L337 HydrophobicContact CD2-CD2 3.94Å; L98-L337 HydrophobicContact CG-CD1 4.49Å; L98-L433 HydrophobicContact CB-CD2 3.93Å; L98-L433 HydrophobicContact CB-CG 4.2Å; L98-A434 HydrophobicContact CD1-CB 4.23Å; L98-W437 HydrophobicContact CD1-CB 3.7Å; L98-W437 HydrophobicContact CD1-CG 3.84Å; L98-W437 HydrophobicContact CD2-CD2 4.42Å; L98-W437 HydrophobicContact CD2-CG 4.07Å; L98-F509 HydrophobicContact CD2-CE1 4.39Å; L98-F1030 HydrophobicContact CD2-CD2 4.04Å; L98-F1030 HydrophobicContact CD2-CE2 4.07Å |
| 99 | K | 93.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 50 Ų | 50 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.7 | -76.6 | 168.2 | 178.7 | 168.6 | 0 | 111.1 | D95 S96 A101 S102 L103 L433 | D95-K99 VanDerWaalsContact CG-NZ 3.31Å; D95-K99 WeakPolarHBondContact O-CB 3.3Å; D95-K99 WeakPolarHBondContact O-CD 3.1Å; D95-K99 VanDerWaalsContact O-CG 3.24Å; D95-K99 WeakPolarHBondContact O-CG 3.39Å; D95-K99 PolarHBondContact O-N 2.96Å; D95-K99 WeakPolarHBondContact OD1-CE 3.44Å; D95-K99 IonicContact OD1-NZ 2.71Å; D95-K99 PolarHBondContact OD1-NZ 3.17Å; D95-K99 VanDerWaalsContact OD2-CE 3.27Å; D95-K99 WeakPolarHBondContact OD2-CE 3.23Å; D95-K99 IonicContact OD2-NZ 2.84Å; D95-K99 PolarHBondContact OD2-NZ 3.32Å; S96-K99 PolarHBondContact O-N 3.48Å; K99-A101 PolarHBondContact O-N 2.68Å; K99-S102 PolarHBondContact O-N 3.24Å; K99-S102 PolarHBondContact O-OG 3.01Å; K99-L103 WeakPolarHBondContact O-CG 3.24Å; K99-L103 PolarHBondContact O-N 3.38Å; K99-L433 HydrophobicContact CG-CD2 3.82Å |
| 100 | S | 91.4 | Very high | 88 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | S96 E97 S102 L103 S104 | S96-S100 WeakPolarHBondContact O-CB 3.5Å; S96-S100 PolarHBondContact O-N 3.04Å; E97-S100 WeakPolarHBondContact O-CB 3.12Å; E97-S100 PolarHBondContact O-N 2.74Å; S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 3.46Å; S100-L103 PolarHBondContact O-N 2.8Å; S100-S104 PolarHBondContact O-OG 2.79Å |
| 101 | A | 89.6 | Confident | 87.7 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -24.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E97 L98 K99 V105 L337 F1030 | E97-A101 WeakPolarHBondContact O-CB 3.13Å; E97-A101 PolarHBondContact O-N 3.36Å; L98-A101 PolarHBondContact O-N 3.2Å; K99-A101 PolarHBondContact O-N 2.68Å; A101-V105 WeakPolarHBondContact O-CG2 3.43Å; A101-L337 HydrophobicContact CB-CD2 3.85Å; A101-F1030 HydrophobicContact CB-CB 3.76Å; A101-F1030 HydrophobicContact CB-CD2 3.82Å; A101-F1030 HydrophobicContact CB-CG 3.98Å |
| 102 | S | 89.8 | Confident | 87.4 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.9 | -28.4 | 176.7 | 79.3 | 0 | 0 | 0 | 0 | 113.7 | L98 K99 S100 S104 | L98-S102 WeakPolarHBondContact O-CB 3.17Å; L98-S102 PolarHBondContact O-N 3.21Å; K99-S102 PolarHBondContact O-N 3.24Å; K99-S102 PolarHBondContact O-OG 3.01Å; S100-S102 VanDerWaalsContact C-N 3.27Å; S100-S102 PolarHBondContact O-N 3.46Å; S102-S104 PolarHBondContact O-N 2.79Å |
| 103 | L | 84 | Confident | 87.3 | Confident | 151 Ų | 151 | 53.9 Ų | 53.9 | 79% | 0.791 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -78.6 | -12.9 | -171.1 | -72.6 | 168.4 | 0 | 0 | 0 | 115.3 | K99 S100 | K99-L103 WeakPolarHBondContact O-CG 3.24Å; K99-L103 PolarHBondContact O-N 3.38Å; S100-L103 PolarHBondContact O-N 2.8Å |
| 104 | S | 64 | Low | 87.2 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 60% | 0.601 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -127.2 | 9.6 | -153.5 | 48.4 | 0 | 0 | 0 | 0 | 115.6 | S100 S102 | S100-S104 PolarHBondContact O-OG 2.79Å; S102-S104 PolarHBondContact O-N 2.79Å |
| 105 | V | 68.1 | Low | 87.1 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -132.3 | -34.1 | -158 | 179.4 | 0 | 0 | 0 | 0 | 115.9 | A101 L147 P148 K340 | A101-V105 WeakPolarHBondContact O-CG2 3.43Å; V105-L147 HydrophobicContact CG1-CD2 3.93Å; V105-L147 WeakPolarHBondContact O-CD2 3.08Å; V105-P148 WeakPolarHBondContact O-CD 3.39Å; V105-K340 HydrophobicContact CB-CD 4.45Å; V105-K340 HydrophobicContact CG1-CB 4.06Å; V105-K340 HydrophobicContact CG1-CD 4.14Å; V105-K340 HydrophobicContact CG1-CG 3.92Å; V105-K340 HydrophobicContact CG2-CD 3.87Å |
| 106 | V | 79.8 | Confident | 87.1 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.3 | 153.9 | 167.3 | -80.2 | 0 | 0 | 0 | 0 | 110.3 | D108 L145 A146 L147 I336 | V106-D108 PolarHBondContact O-N 2.74Å; V106-L145 HydrophobicContact CG1-CD2 4.45Å; V106-A146 CarbonylContact C-O 3.54Å; V106-A146 WeakPolarHBondContact CA-O 3.25Å; V106-L147 HydrophobicContact CG1-CD2 4.37Å; V106-I336 HydrophobicContact CG1-CG1 4.01Å; V106-I336 HydrophobicContact CG1-CG2 4.3Å; V106-I336 HydrophobicContact CG2-CD1 3.84Å; V106-I336 HydrophobicContact CG2-CG1 4.09Å; V106-I336 HydrophobicContact CG2-CG2 4.42Å |
| 107 | A | 78.9 | Confident | 87.1 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 131.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | E111 M112 A146 | A107-E111 HydrophobicContact CB-CB 4.36Å; A107-E111 HydrophobicContact CB-CG 3.95Å; A107-M112 HydrophobicContact CB-CG 4.2Å; A107-M112 WeakPolarHBondContact O-CG 3.48Å; A107-A146 PolarHBondContact N-O 2.82Å |
| 108 | D | 82.3 | Confident | 87.2 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 164.1 | -176.7 | 71.1 | 66.8 | 0 | 0 | 0 | 112.2 | V106 C110 E111 M112 | V106-D108 PolarHBondContact O-N 2.74Å; D108-C110 PolarHBondContact O-N 3.07Å; D108-C110 VanDerWaalsContact O-N 3.11Å; D108-C110 VanDerWaalsContact OD1-CA 3.28Å; D108-C110 WeakPolarHBondContact OD1-CA 3.38Å; D108-C110 WeakPolarHBondContact OD1-CB 3.45Å; D108-C110 PolarHBondContact OD1-N 2.72Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 3.32Å; D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 PolarHBondContact O-N 3.43Å |
| 109 | T | 83.6 | Confident | 87.2 | Confident | 122 Ų | 122 | 55.9 Ų | 55.9 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.7 | -27.8 | -175.7 | -38.4 | 0 | 0 | 0 | 0 | 113.1 | Q113 | T109-Q113 WeakPolarHBondContact O-CB 3.48Å; T109-Q113 PolarHBondContact O-N 3.17Å |
| 110 | C | 88.1 | Confident | 87.3 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 64% | 0.635 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77 | -44.3 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | D108 Q113 R114 | D108-C110 PolarHBondContact O-N 3.07Å; D108-C110 VanDerWaalsContact O-N 3.11Å; D108-C110 VanDerWaalsContact OD1-CA 3.28Å; D108-C110 WeakPolarHBondContact OD1-CA 3.38Å; D108-C110 WeakPolarHBondContact OD1-CB 3.45Å; D108-C110 PolarHBondContact OD1-N 2.72Å; C110-Q113 PolarHBondContact O-N 2.94Å; C110-R114 VanDerWaalsContact O-CB 3.3Å; C110-R114 WeakPolarHBondContact O-CB 3.36Å; C110-R114 PolarHBondContact O-N 3.38Å |
| 111 | E | 89.5 | Confident | 87.5 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.4 | 174.5 | 58.5 | -167.9 | 0 | 0 | 111.7 | A107 D108 R114 R115 | A107-E111 HydrophobicContact CB-CB 4.36Å; A107-E111 HydrophobicContact CB-CG 3.95Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.13Å; D108-E111 PolarHBondContact OD1-N 3.32Å; E111-R114 PolarHBondContact O-N 3.22Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 2.71Å; E111-R114 IonicContact OE1-NH2 3.68Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.25Å; E111-R114 IonicContact OE2-NE 2.67Å; E111-R114 PolarHBondContact OE2-NE 2.95Å; E111-R114 IonicContact OE2-NH2 3.59Å; E111-R114 PolarHBondContact OE2-NH2 3.13Å; E111-R115 WeakPolarHBondContact O-CB 3.36Å; E111-R115 VanDerWaalsContact O-CG 3.29Å; E111-R115 WeakPolarHBondContact O-CG 3.17Å; E111-R115 PolarHBondContact O-N 2.79Å; E111-R115 IonicContact OE1-CZ 2.59Å; E111-R115 VanDerWaalsContact OE1-CZ 3.25Å; E111-R115 IonicContact OE1-NE 3.83Å; E111-R115 PolarHBondContact OE1-NE 3.14Å; E111-R115 IonicContact OE1-NH2 2.63Å; E111-R115 PolarHBondContact OE1-NH2 2.56Å |
| 112 | M | 88.8 | Confident | 87.7 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.5 | -52 | 169.6 | -82.4 | -72.1 | -61.1 | 0 | 0 | 111.5 | A107 D108 R114 R115 Q116 S141 A146 | A107-M112 HydrophobicContact CB-CG 4.2Å; A107-M112 WeakPolarHBondContact O-CG 3.48Å; D108-M112 WeakPolarHBondContact O-CB 3.29Å; D108-M112 PolarHBondContact O-N 3.43Å; M112-R114 VanDerWaalsContact C-N 3.33Å; M112-R114 PolarHBondContact O-N 2.86Å; M112-R115 WeakPolarHBondContact O-CB 3.31Å; M112-R115 PolarHBondContact O-N 3.15Å; M112-Q116 WeakPolarHBondContact O-CG 3.41Å; M112-Q116 PolarHBondContact O-N 3.19Å; M112-S141 WeakPolarHBondContact CE-O 3.25Å; M112-A146 HydrophobicContact SD-CB 3.76Å |
| 113 | Q | 91.9 | Very high | 87.9 | Confident | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.3 | -33.3 | -179.6 | -167.5 | 170.4 | 35.2 | 0 | 0 | 112.3 | T109 C110 Q116 N117 | T109-Q113 WeakPolarHBondContact O-CB 3.48Å; T109-Q113 PolarHBondContact O-N 3.17Å; C110-Q113 PolarHBondContact O-N 2.94Å; Q113-Q116 PolarHBondContact O-N 3.31Å; Q113-N117 WeakPolarHBondContact O-CB 2.98Å; Q113-N117 PolarHBondContact O-N 2.96Å; Q113-N117 PolarHBondContact O-ND2 3.02Å |
| 114 | R | 93.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 172.4 | -170.7 | -163.1 | 67 | 72.8 | -4.2 | 111.1 | C110 E111 M112 N117 F118 D299 V303 | C110-R114 VanDerWaalsContact O-CB 3.3Å; C110-R114 WeakPolarHBondContact O-CB 3.36Å; C110-R114 PolarHBondContact O-N 3.38Å; E111-R114 PolarHBondContact O-N 3.22Å; E111-R114 IonicContact OE1-CZ 2.88Å; E111-R114 IonicContact OE1-NE 2.71Å; E111-R114 IonicContact OE1-NH2 3.68Å; E111-R114 PolarHBondContact OE1-NH2 3.31Å; E111-R114 IonicContact OE2-CZ 3.25Å; E111-R114 IonicContact OE2-NE 2.67Å; E111-R114 PolarHBondContact OE2-NE 2.95Å; E111-R114 IonicContact OE2-NH2 3.59Å; E111-R114 PolarHBondContact OE2-NH2 3.13Å; M112-R114 VanDerWaalsContact C-N 3.33Å; M112-R114 PolarHBondContact O-N 2.86Å; R114-N117 PolarHBondContact O-N 3.47Å; R114-F118 WeakPolarHBondContact O-CB 3.46Å; R114-F118 PolarHBondContact O-N 2.88Å; R114-D299 IonicContact CZ-OD2 2.73Å; R114-D299 IonicContact NH1-OD2 3.01Å; R114-D299 PolarHBondContact NH1-OD2 3.42Å; R114-D299 IonicContact NH2-OD2 3.24Å; R114-D299 PolarHBondContact NH2-OD2 3.33Å; R114-V303 VanDerWaalsContact NH2-CG2 3.29Å |
| 115 | R | 94.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.8 | -75 | 171.3 | -170.6 | -150.1 | 0.1 | 111.8 | E111 M112 F118 A119 L147 P148 S150 V303 | E111-R115 WeakPolarHBondContact O-CB 3.36Å; E111-R115 VanDerWaalsContact O-CG 3.29Å; E111-R115 WeakPolarHBondContact O-CG 3.17Å; E111-R115 PolarHBondContact O-N 2.79Å; E111-R115 IonicContact OE1-CZ 2.59Å; E111-R115 VanDerWaalsContact OE1-CZ 3.25Å; E111-R115 IonicContact OE1-NE 3.83Å; E111-R115 PolarHBondContact OE1-NE 3.14Å; E111-R115 IonicContact OE1-NH2 2.63Å; E111-R115 PolarHBondContact OE1-NH2 2.56Å; M112-R115 WeakPolarHBondContact O-CB 3.31Å; M112-R115 PolarHBondContact O-N 3.15Å; R115-F118 PolarHBondContact O-N 3.2Å; R115-A119 VanDerWaalsContact O-CB 3.32Å; R115-A119 WeakPolarHBondContact O-CB 3.47Å; R115-A119 PolarHBondContact O-N 3.07Å; R115-L147 PolarHBondContact NH1-O 3.27Å; R115-L147 VanDerWaalsContact NH1-O 3.11Å; R115-P148 PolarHBondContact NH2-O 2.98Å; R115-S150 PolarHBondContact NH1-O 3.39Å; R115-V303 HydrophobicContact CG-CG1 4.21Å |
| 116 | Q | 94.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 46 Ų | 46 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.3 | -69.9 | 179.8 | -3.1 | 0 | 0 | 112.3 | M112 Q113 A119 N120 S141 W142 | M112-Q116 WeakPolarHBondContact O-CG 3.41Å; M112-Q116 PolarHBondContact O-N 3.19Å; Q113-Q116 PolarHBondContact O-N 3.31Å; Q116-A119 WeakPolarHBondContact O-CB 3.16Å; Q116-A119 PolarHBondContact O-N 2.75Å; Q116-N120 WeakPolarHBondContact O-CB 3.47Å; Q116-N120 PolarHBondContact O-N 3.37Å; Q116-N120 PolarHBondContact O-ND2 3.42Å; Q116-S141 PolarHBondContact NE2-O 3.41Å; Q116-W142 HydrophobicContact CB-CE3 4.48Å; Q116-W142 HydrophobicContact CB-CH2 3.52Å; Q116-W142 HydrophobicContact CB-CZ2 4.13Å; Q116-W142 HydrophobicContact CB-CZ3 3.72Å; Q116-W142 HydrophobicContact CG-CD2 4.11Å; Q116-W142 HydrophobicContact CG-CE3 3.73Å; Q116-W142 HydrophobicContact CG-CH2 3.61Å; Q116-W142 HydrophobicContact CG-CZ2 3.98Å; Q116-W142 HydrophobicContact CG-CZ3 3.46Å; Q116-W142 VanDerWaalsContact CG-CZ3 3.46Å |
| 117 | N | 95 | Very high | 91.7 | Very high | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 176.7 | -72.1 | -19 | 0 | 0 | 0 | 111.9 | Q113 R114 A119 N120 D121 | Q113-N117 WeakPolarHBondContact O-CB 2.98Å; Q113-N117 PolarHBondContact O-N 2.96Å; Q113-N117 PolarHBondContact O-ND2 3.02Å; R114-N117 PolarHBondContact O-N 3.47Å; N117-A119 VanDerWaalsContact C-N 3.3Å; N117-A119 PolarHBondContact O-N 3.16Å; N117-N120 PolarHBondContact O-N 3.37Å; N117-N120 VanDerWaalsContact O-N 3.17Å; N117-D121 PolarHBondContact O-N 3.25Å |
| 118 | F | 95.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 175.6 | 177.5 | -76.7 | 0 | 0 | 0 | 111.7 | R114 R115 N120 D121 L122 P280 F282 L297 D299 Y305 | R114-F118 WeakPolarHBondContact O-CB 3.46Å; R114-F118 PolarHBondContact O-N 2.88Å; R115-F118 PolarHBondContact O-N 3.2Å; F118-N120 VanDerWaalsContact C-N 3.35Å; F118-D121 PolarHBondContact O-N 3.32Å; F118-L122 HydrophobicContact CE1-CD2 4.35Å; F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 3.35Å; F118-P280 HydrophobicContact CD2-CB 3.78Å; F118-P280 HydrophobicContact CD2-CG 4.16Å; F118-P280 HydrophobicContact CE1-CG 4.36Å; F118-P280 HydrophobicContact CE2-CB 3.73Å; F118-P280 HydrophobicContact CE2-CG 3.96Å; F118-P280 HydrophobicContact CG-CB 4.43Å; F118-P280 HydrophobicContact CG-CG 4.45Å; F118-P280 HydrophobicContact CZ-CB 4.36Å; F118-P280 HydrophobicContact CZ-CG 4.08Å; F118-F282 HydrophobicContact CZ-CB 4.03Å; F118-L297 HydrophobicContact CE1-CD1 3.99Å; F118-L297 HydrophobicContact CZ-CD1 4.12Å; F118-D299 HydrophobicContact CD2-CB 4.11Å; F118-D299 HydrophobicContact CE1-CB 4.37Å; F118-D299 HydrophobicContact CE2-CB 3.54Å; F118-D299 HydrophobicContact CZ-CB 3.69Å; F118-Y305 HydrophobicContact CB-CE1 4.46Å; F118-Y305 AromaticContact CD1-CD1 3.85Å; F118-Y305 HydrophobicContact CD1-CD1 3.85Å; F118-Y305 HydrophobicContact CD1-CD2 4.11Å; F118-Y305 AromaticContact CD1-CE1 3.34Å; F118-Y305 HydrophobicContact CD1-CE1 3.34Å; F118-Y305 AromaticContact CD1-CE2 3.65Å; F118-Y305 HydrophobicContact CD1-CE2 3.65Å; F118-Y305 HydrophobicContact CD1-CG 4.23Å; F118-Y305 AromaticContact CD1-CZ 3.23Å; F118-Y305 AromaticContact CE1-CD1 3.99Å; F118-Y305 HydrophobicContact CE1-CD1 3.99Å; F118-Y305 AromaticContact CE1-CD2 3.65Å; F118-Y305 HydrophobicContact CE1-CD2 3.65Å; F118-Y305 AromaticContact CE1-CE1 3.87Å; F118-Y305 HydrophobicContact CE1-CE1 3.87Å; F118-Y305 AromaticContact CE1-CE2 3.53Å; F118-Y305 HydrophobicContact CE1-CE2 3.53Å; F118-Y305 AromaticContact CE1-CG 3.9Å; F118-Y305 HydrophobicContact CE1-CG 3.9Å; F118-Y305 AromaticContact CE1-CZ 3.65Å; F118-Y305 HydrophobicContact CG-CE1 4.23Å; F118-Y305 HydrophobicContact CG-CE2 4.38Å; F118-Y305 AromaticContact CG-CZ 3.86Å; F118-Y305 HydrophobicContact CZ-CD2 4.38Å; F118-Y305 HydrophobicContact CZ-CE2 4.17Å |
| 119 | A | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R115 Q116 N117 L122 I123 W142 L154 Y305 | R115-A119 VanDerWaalsContact O-CB 3.32Å; R115-A119 WeakPolarHBondContact O-CB 3.47Å; R115-A119 PolarHBondContact O-N 3.07Å; Q116-A119 WeakPolarHBondContact O-CB 3.16Å; Q116-A119 PolarHBondContact O-N 2.75Å; N117-A119 VanDerWaalsContact C-N 3.3Å; N117-A119 PolarHBondContact O-N 3.16Å; A119-L122 WeakPolarHBondContact O-CB 3.26Å; A119-L122 PolarHBondContact O-N 3.28Å; A119-I123 WeakPolarHBondContact O-CB 3.41Å; A119-I123 WeakPolarHBondContact O-CD1 3.2Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 3.14Å; A119-W142 HydrophobicContact CB-CZ2 3.92Å; A119-L154 HydrophobicContact CB-CD2 4.18Å; A119-Y305 HydrophobicContact CB-CD1 4.47Å; A119-Y305 HydrophobicContact CB-CE1 4.26Å |
| 120 | N | 95.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.8 | -69.1 | -25.7 | 0 | 0 | 0 | 112.4 | Q116 N117 F118 L122 I123 A124 W142 | Q116-N120 WeakPolarHBondContact O-CB 3.47Å; Q116-N120 PolarHBondContact O-N 3.37Å; Q116-N120 PolarHBondContact O-ND2 3.42Å; N117-N120 PolarHBondContact O-N 3.37Å; N117-N120 VanDerWaalsContact O-N 3.17Å; F118-N120 VanDerWaalsContact C-N 3.35Å; N120-L122 VanDerWaalsContact C-N 3.29Å; N120-L122 PolarHBondContact O-N 3.36Å; N120-I123 PolarHBondContact O-N 2.63Å; N120-A124 WeakPolarHBondContact O-CB 3.41Å; N120-A124 PolarHBondContact O-N 2.99Å; N120-W142 WeakPolarHBondContact OD1-CH2 3.48Å |
| 121 | D | 95 | Very high | 92.4 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 173.1 | -74.6 | -21.9 | 0 | 0 | 0 | 111.3 | N117 F118 A125 P280 | N117-D121 PolarHBondContact O-N 3.25Å; F118-D121 PolarHBondContact O-N 3.32Å; D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.31Å; D121-P280 HydrophobicContact CB-CB 4.2Å; D121-P280 HydrophobicContact CB-CG 4.06Å |
| 122 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 177.1 | -178.2 | 65 | 0 | 0 | 0 | 112 | F118 A119 N120 A125 I126 L154 L236 F279 P280 F282 L297 | F118-L122 HydrophobicContact CE1-CD2 4.35Å; F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 3.35Å; A119-L122 WeakPolarHBondContact O-CB 3.26Å; A119-L122 PolarHBondContact O-N 3.28Å; N120-L122 VanDerWaalsContact C-N 3.29Å; N120-L122 PolarHBondContact O-N 3.36Å; L122-A125 PolarHBondContact O-N 2.95Å; L122-I126 HydrophobicContact CD1-CD1 4.21Å; L122-I126 HydrophobicContact CG-CD1 4.07Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.97Å; L122-L154 HydrophobicContact CD2-CD1 3.93Å; L122-L236 HydrophobicContact CD1-CD2 3.74Å; L122-F279 HydrophobicContact CD1-CD1 4.04Å; L122-F279 HydrophobicContact CD1-CE1 4.25Å; L122-P280 HydrophobicContact CB-CG 4.12Å; L122-F282 HydrophobicContact CD1-CE1 4.43Å; L122-L297 HydrophobicContact CD1-CD2 4.05Å; L122-L297 HydrophobicContact CD2-CD1 4.39Å; L122-L297 HydrophobicContact CD2-CD2 3.93Å |
| 123 | I | 94.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -54.7 | 174.8 | -72.6 | 162.1 | 0 | 0 | 0 | 109.9 | A119 N120 A125 I126 E127 V135 L154 | A119-I123 WeakPolarHBondContact O-CB 3.41Å; A119-I123 WeakPolarHBondContact O-CD1 3.2Å; A119-I123 WeakPolarHBondContact O-CG1 3.46Å; A119-I123 PolarHBondContact O-N 3.14Å; N120-I123 PolarHBondContact O-N 2.63Å; I123-A125 PolarHBondContact O-N 2.99Å; I123-I126 PolarHBondContact O-N 3.36Å; I123-E127 HydrophobicContact CG2-CG 4.21Å; I123-E127 PolarHBondContact O-N 2.71Å; I123-V135 HydrophobicContact CG1-CB 4.03Å; I123-V135 HydrophobicContact CG1-CG1 3.92Å; I123-V135 HydrophobicContact CG2-CB 4.26Å; I123-V135 VanDerWaalsContact CG2-O 3.26Å; I123-V135 WeakPolarHBondContact CG2-O 3.31Å; I123-L154 HydrophobicContact CD1-CD2 4.02Å; I123-L154 HydrophobicContact CG1-CD2 4.42Å |
| 124 | A | 94.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -33.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N120 A128 P277 | N120-A124 WeakPolarHBondContact O-CB 3.41Å; N120-A124 PolarHBondContact O-N 2.99Å; A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 2.89Å; A124-P277 HydrophobicContact CB-CB 4.24Å; A124-P277 HydrophobicContact CB-CG 4.25Å |
| 125 | A | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.7 | -29.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D121 L122 I123 R129 F279 | D121-A125 VanDerWaalsContact O-CB 3.3Å; D121-A125 WeakPolarHBondContact O-CB 3.46Å; D121-A125 PolarHBondContact O-N 3.31Å; L122-A125 PolarHBondContact O-N 2.95Å; I123-A125 PolarHBondContact O-N 2.99Å; A125-R129 WeakPolarHBondContact O-CD 3.45Å; A125-R129 WeakPolarHBondContact O-CG 3.36Å; A125-R129 PolarHBondContact O-NH1 2.92Å; A125-F279 HydrophobicContact CB-CB 4.43Å; A125-F279 HydrophobicContact CB-CD1 3.45Å; A125-F279 VanDerWaalsContact CB-CD1 3.45Å; A125-F279 HydrophobicContact CB-CD2 4.09Å; A125-F279 HydrophobicContact CB-CE1 3.53Å; A125-F279 HydrophobicContact CB-CE2 4.17Å; A125-F279 HydrophobicContact CB-CG 3.75Å; A125-F279 HydrophobicContact CB-CZ 3.89Å; A125-F279 WeakPolarHBondContact O-CZ 3.28Å |
| 126 | I | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.7 | -53.4 | 173.9 | -66.5 | 166.4 | 0 | 0 | 0 | 110.6 | L122 I123 A128 R129 I130 I133 V135 I232 L236 F279 I307 | L122-I126 HydrophobicContact CD1-CD1 4.21Å; L122-I126 HydrophobicContact CG-CD1 4.07Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.44Å; L122-I126 PolarHBondContact O-N 2.97Å; I123-I126 PolarHBondContact O-N 3.36Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.41Å; I126-R129 PolarHBondContact O-N 3.36Å; I126-I130 HydrophobicContact CG2-CD1 4.14Å; I126-I130 PolarHBondContact O-N 3.19Å; I126-I133 HydrophobicContact CG2-CG2 4.35Å; I126-V135 HydrophobicContact CG2-CG2 4.03Å; I126-I232 HydrophobicContact CD1-CG2 4.18Å; I126-I232 HydrophobicContact CG2-CG1 4.2Å; I126-L236 HydrophobicContact CD1-CD2 4.42Å; I126-F279 HydrophobicContact CG1-CE1 4.04Å; I126-I307 HydrophobicContact CD1-CD1 4.1Å |
| 127 | E | 92.5 | Very high | 91 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -36.1 | -177.1 | -68.5 | -174.4 | 164.6 | 0 | 0 | 112.3 | I123 R129 I133 K134 V135 | I123-E127 HydrophobicContact CG2-CG 4.21Å; I123-E127 PolarHBondContact O-N 2.71Å; E127-R129 PolarHBondContact O-N 3.24Å; E127-R129 VanDerWaalsContact O-N 3.12Å; E127-I133 HydrophobicContact CG-CG2 4.14Å; E127-K134 WeakPolarHBondContact OE1-CA 3.19Å; E127-V135 PolarHBondContact OE1-N 3.45Å |
| 128 | A | 91.8 | Very high | 90.8 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | A124 I126 K276 P277 | A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 2.89Å; I126-A128 VanDerWaalsContact C-N 3.29Å; I126-A128 PolarHBondContact O-N 3.41Å; A128-K276 WeakPolarHBondContact O-CD 3.45Å; A128-K276 WeakPolarHBondContact O-CE 3.35Å; A128-K276 PolarHBondContact O-NZ 3.43Å; A128-P277 HydrophobicContact CB-CG 4.22Å |
| 129 | R | 91.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 24% | 0.242 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -29.7 | -173.4 | -69.5 | -178 | 179.3 | 74 | 1.5 | 114.4 | A125 I126 E127 L235 K276 P277 | A125-R129 WeakPolarHBondContact O-CD 3.45Å; A125-R129 WeakPolarHBondContact O-CG 3.36Å; A125-R129 PolarHBondContact O-NH1 2.92Å; I126-R129 PolarHBondContact O-N 3.36Å; E127-R129 PolarHBondContact O-N 3.24Å; E127-R129 VanDerWaalsContact O-N 3.12Å; R129-L235 HydrophobicContact CB-CD1 4.34Å; R129-L235 HydrophobicContact CB-CD2 3.86Å; R129-K276 HydrophobicContact CG-CD 4.3Å; R129-P277 VanDerWaalsContact CZ-O 3.25Å; R129-P277 PolarHBondContact NH1-O 3.32Å; R129-P277 PolarHBondContact NH2-O 3.32Å |
| 130 | I | 85.6 | Confident | 90.4 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -105.9 | 112.5 | 173.4 | -57 | -179.1 | 0 | 0 | 0 | 107.9 | I126 I133 N231 I232 L235 | I126-I130 HydrophobicContact CG2-CD1 4.14Å; I126-I130 PolarHBondContact O-N 3.19Å; I130-I133 HydrophobicContact CB-CB 4.42Å; I130-I133 HydrophobicContact CB-CG2 4Å; I130-I133 HydrophobicContact CG2-CB 4.1Å; I130-I133 HydrophobicContact CG2-CD1 4.38Å; I130-I133 HydrophobicContact CG2-CG2 4.24Å; I130-I133 WeakPolarHBondContact O-CG2 2.89Å; I130-N231 HydrophobicContact CD1-CB 4.06Å; I130-I232 HydrophobicContact CD1-CB 4.36Å; I130-I232 HydrophobicContact CD1-CG1 3.61Å; I130-L235 HydrophobicContact CD1-CD2 3.94Å; I130-L235 HydrophobicContact CG1-CD2 3.84Å |
| 131 | P | 77.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 65% | 0.649 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 153 | 178.4 | 29.4 | -34.8 | 0 | 0 | 0 | 111.1 | I133 | P131-I133 PolarHBondContact O-N 3.12Å; P131-I133 VanDerWaalsContact O-N 3.11Å |
| 132 | N | 78.8 | Confident | 90.1 | Very high | 106 Ų | 106 | 35.5 Ų | 35.5 | 57% | 0.567 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 20.9 | 177.4 | -56.4 | -17.4 | 0 | 0 | 0 | 115.4 | P159 | N132-P159 WeakPolarHBondContact O-CD 3.36Š|
| 133 | I | 84.2 | Confident | 90 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 8% | 0.082 | 19% | 0.186 | C | C | . | . | trans | -99.6 | 149.7 | 167.5 | -149.2 | 174.8 | 0 | 0 | 0 | 110.9 | I126 E127 I130 P131 V135 A156 V228 I232 | I126-I133 HydrophobicContact CG2-CG2 4.35Å; E127-I133 HydrophobicContact CG-CG2 4.14Å; I130-I133 HydrophobicContact CB-CB 4.42Å; I130-I133 HydrophobicContact CB-CG2 4Å; I130-I133 HydrophobicContact CG2-CB 4.1Å; I130-I133 HydrophobicContact CG2-CD1 4.38Å; I130-I133 HydrophobicContact CG2-CG2 4.24Å; I130-I133 WeakPolarHBondContact O-CG2 2.89Å; P131-I133 PolarHBondContact O-N 3.12Å; P131-I133 VanDerWaalsContact O-N 3.11Å; I133-V135 HydrophobicContact CD1-CG2 4.19Å; I133-V135 HydrophobicContact CG1-CG2 4.41Å; I133-A156 HydrophobicContact CD1-CB 4.17Å; I133-V228 HydrophobicContact CD1-CG1 3.48Å; I133-V228 VanDerWaalsContact CD1-CG1 3.48Å; I133-V228 HydrophobicContact CG1-CG1 4.12Å; I133-I232 HydrophobicContact CD1-CD1 3.7Å; I133-I232 HydrophobicContact CD1-CG1 4.07Å | ||
| 134 | K | 87.5 | Confident | 89.8 | Confident | 108 Ų | 108 | 35.9 Ų | 35.9 | 47% | 0.47 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.5 | 155 | -72.7 | -175.3 | 175.5 | 177.8 | 0 | 109.4 | E127 I157 | E127-K134 WeakPolarHBondContact OE1-CA 3.19Å; K134-I157 HydrophobicContact CB-CB 4.39Å; K134-I157 PolarHBondContact N-O 2.87Å; K134-I157 PolarHBondContact O-N 3.16Å |
| 135 | V | 90.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.1 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | I123 I126 E127 I133 L154 D155 A156 | I123-V135 HydrophobicContact CG1-CB 4.03Å; I123-V135 HydrophobicContact CG1-CG1 3.92Å; I123-V135 HydrophobicContact CG2-CB 4.26Å; I123-V135 VanDerWaalsContact CG2-O 3.26Å; I123-V135 WeakPolarHBondContact CG2-O 3.31Å; I126-V135 HydrophobicContact CG2-CG2 4.03Å; E127-V135 PolarHBondContact OE1-N 3.45Å; I133-V135 HydrophobicContact CD1-CG2 4.19Å; I133-V135 HydrophobicContact CG1-CG2 4.41Å; V135-L154 HydrophobicContact CG1-CB 4.1Å; V135-D155 WeakPolarHBondContact CA-O 3.47Å; V135-A156 HydrophobicContact CG2-CB 4.28Å |
| 136 | R | 91.1 | Very high | 89.5 | Confident | 99 Ų | 99 | 34 Ų | 34 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.5 | -177.8 | -66.6 | -171.5 | -179.8 | -94.8 | 16.2 | 112.2 | L154 D155 I157 Y315 | R136-L154 CarbonylContact O-C 3.32Å; R136-L154 VanDerWaalsContact O-CA 3.25Å; R136-L154 WeakPolarHBondContact O-CA 2.83Å; R136-D155 PolarHBondContact N-O 3.4Å; R136-D155 PolarHBondContact O-N 3.39Å; R136-I157 HydrophobicContact CG-CD1 4.29Å; R136-Y315 HydrophobicContact CB-CG 4.45Å |
| 137 | G | 91.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 141 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y315 | G137-Y315 VanDerWaalsContact O-CA 3.31Å; G137-Y315 WeakPolarHBondContact O-CA 3.38Å; G137-Y315 WeakPolarHBondContact O-CB 3.45Å |
| 138 | T | 91.8 | Very high | 88.8 | Confident | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 170 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | W142 S153 D155 G314 | T138-W142 VanDerWaalsContact N-CD1 3.26Å; T138-S153 PolarHBondContact N-O 3.21Å; T138-S153 WeakPolarHBondContact O-CB 3.47Å; T138-D155 HydrophobicContact CG2-CB 4.5Å; T138-G314 WeakPolarHBondContact CB-O 3.19Å; T138-G314 WeakPolarHBondContact OG1-CA 3.42Å; T138-G314 PolarHBondContact OG1-O 3.45Å |
| 139 | G | 89.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 76.3 | -169 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S141 W142 F143 | G139-S141 PolarHBondContact O-N 3.04Å; G139-W142 PolarHBondContact O-N 3.36Å; G139-F143 VanDerWaalsContact C-CD1 3.48Å; G139-F143 WeakPolarHBondContact O-CD1 3.36Å; G139-F143 PolarHBondContact O-N 3.23Å |
| 140 | S | 92 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.4 | -165.8 | 54.7 | 0 | 0 | 0 | 0 | 115.5 | W142 G144 L145 A146 E357 | S140-W142 PolarHBondContact O-N 3.44Å; S140-G144 PolarHBondContact O-N 3.04Å; S140-L145 PolarHBondContact O-N 2.64Å; S140-L145 VanDerWaalsContact O-N 3.07Å; S140-A146 PolarHBondContact O-N 2.75Å; S140-E357 WeakPolarHBondContact CB-OE2 3.34Å; S140-E357 PolarHBondContact OG-OE2 3.16Å |
| 141 | S | 92.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 114.7 | M112 Q116 G139 H151 C152 | M112-S141 WeakPolarHBondContact CE-O 3.25Å; Q116-S141 PolarHBondContact NE2-O 3.41Å; G139-S141 PolarHBondContact O-N 3.04Å; S141-H151 PolarHBondContact OG-O 2.93Å; S141-C152 PolarHBondContact OG-SG 3.13Å |
| 142 | W | 92.4 | Very high | 89.3 | Confident | 42 Ų | 42 | 30.3 Ų | 30.3 | 16% | 0.159 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -19.9 | 177.6 | -63.8 | 97.2 | 0 | 0 | 0 | 113.8 | Q116 A119 N120 T138 G139 S140 A318 | Q116-W142 HydrophobicContact CB-CE3 4.48Å; Q116-W142 HydrophobicContact CB-CH2 3.52Å; Q116-W142 HydrophobicContact CB-CZ2 4.13Å; Q116-W142 HydrophobicContact CB-CZ3 3.72Å; Q116-W142 HydrophobicContact CG-CD2 4.11Å; Q116-W142 HydrophobicContact CG-CE3 3.73Å; Q116-W142 HydrophobicContact CG-CH2 3.61Å; Q116-W142 HydrophobicContact CG-CZ2 3.98Å; Q116-W142 HydrophobicContact CG-CZ3 3.46Å; Q116-W142 VanDerWaalsContact CG-CZ3 3.46Å; A119-W142 HydrophobicContact CB-CZ2 3.92Å; N120-W142 WeakPolarHBondContact OD1-CH2 3.48Å; T138-W142 VanDerWaalsContact N-CD1 3.26Å; G139-W142 PolarHBondContact O-N 3.36Å; S140-W142 PolarHBondContact O-N 3.44Å; W142-A318 HydrophobicContact CB-CB 3.9Å |
| 143 | F | 93 | Very high | 89.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 16.3 | 169.5 | 61.3 | -111.6 | 0 | 0 | 0 | 115.1 | G139 L145 A318 I321 N322 E357 T358 P361 | G139-F143 VanDerWaalsContact C-CD1 3.48Å; G139-F143 WeakPolarHBondContact O-CD1 3.36Å; G139-F143 PolarHBondContact O-N 3.23Å; F143-L145 HydrophobicContact CD2-CB 3.93Å; F143-L145 HydrophobicContact CD2-CD1 3.94Å; F143-L145 HydrophobicContact CD2-CG 4.02Å; F143-L145 HydrophobicContact CE2-CB 3.88Å; F143-L145 HydrophobicContact CE2-CD1 3.95Å; F143-L145 HydrophobicContact CE2-CG 4.28Å; F143-L145 PolarHBondContact O-N 3.48Å; F143-A318 HydrophobicContact CB-CB 4.46Å; F143-A318 HydrophobicContact CD1-CB 4.11Å; F143-I321 HydrophobicContact CB-CB 3.92Å; F143-I321 HydrophobicContact CB-CG2 3.72Å; F143-I321 HydrophobicContact CD1-CD1 4.12Å; F143-I321 HydrophobicContact CD2-CG2 4.05Å; F143-I321 HydrophobicContact CE1-CD1 4.3Å; F143-I321 HydrophobicContact CG-CB 4.31Å; F143-I321 HydrophobicContact CG-CD1 4.47Å; F143-I321 HydrophobicContact CG-CG2 3.94Å; F143-N322 HydrophobicContact CB-CB 4.46Å; F143-E357 HydrophobicContact CZ-CB 4.5Å; F143-E357 WeakPolarHBondContact CZ-O 3.3Å; F143-T358 HydrophobicContact CE1-CG2 4.09Å; F143-P361 HydrophobicContact CD2-CG 4.33Å; F143-P361 HydrophobicContact CE2-CG 3.91Å; F143-P361 HydrophobicContact CZ-CG 4.27Å |
| 144 | G | 90.6 | Very high | 90.3 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 26% | 0.258 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 11 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S140 | S140-G144 PolarHBondContact O-N 3.04Š|
| 145 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -119 | 21.2 | -174.7 | -62.1 | 177.6 | 0 | 0 | 0 | 113.9 | V106 S140 F143 L325 L332 A335 I336 P361 | V106-L145 HydrophobicContact CG1-CD2 4.45Å; S140-L145 PolarHBondContact O-N 2.64Å; S140-L145 VanDerWaalsContact O-N 3.07Å; F143-L145 HydrophobicContact CD2-CB 3.93Å; F143-L145 HydrophobicContact CD2-CD1 3.94Å; F143-L145 HydrophobicContact CD2-CG 4.02Å; F143-L145 HydrophobicContact CE2-CB 3.88Å; F143-L145 HydrophobicContact CE2-CD1 3.95Å; F143-L145 HydrophobicContact CE2-CG 4.28Å; F143-L145 PolarHBondContact O-N 3.48Å; L145-L325 HydrophobicContact CD1-CD1 3.77Å; L145-L325 HydrophobicContact CD2-CD1 4.37Å; L145-L325 HydrophobicContact CG-CD1 3.98Å; L145-L332 HydrophobicContact CD2-CD1 4.02Å; L145-A335 HydrophobicContact CD1-CB 3.78Å; L145-A335 HydrophobicContact CD2-CB 4.18Å; L145-I336 HydrophobicContact CD2-CG1 3.62Å; L145-P361 HydrophobicContact CD1-CB 3.94Å; L145-P361 HydrophobicContact CD1-CG 4.24Å | ||
| 146 | A | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -68.8 | 132.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V106 A107 M112 S140 | V106-A146 CarbonylContact C-O 3.54Å; V106-A146 WeakPolarHBondContact CA-O 3.25Å; A107-A146 PolarHBondContact N-O 2.82Å; M112-A146 HydrophobicContact SD-CB 3.76Å; S140-A146 PolarHBondContact O-N 2.75Å | ||
| 147 | L | 87.7 | Confident | 89.7 | Confident | 9 Ų | 9 | 16.4 Ų | 16.4 | 5% | 0.047 | 10% | 0.099 | C | C | . | . | trans | -80.9 | 162 | 167.9 | -57.5 | 180 | 0 | 0 | 0 | 109.8 | V105 V106 R115 D149 S150 R339 R343 | V105-L147 HydrophobicContact CG1-CD2 3.93Å; V105-L147 WeakPolarHBondContact O-CD2 3.08Å; V106-L147 HydrophobicContact CG1-CD2 4.37Å; R115-L147 PolarHBondContact NH1-O 3.27Å; R115-L147 VanDerWaalsContact NH1-O 3.11Å; L147-D149 PolarHBondContact O-N 3.23Å; L147-S150 PolarHBondContact N-OG 3.38Å; L147-S150 WeakPolarHBondContact O-CB 3.26Å; L147-S150 PolarHBondContact O-N 3.15Å; L147-R339 HydrophobicContact CD2-CG 4.11Å; L147-R339 HydrophobicContact CG-CG 4.31Å; L147-R343 HydrophobicContact CD1-CB 3.63Å; L147-R343 HydrophobicContact CD1-CG 3.78Å | ||
| 148 | P | 83.7 | Confident | 88.7 | Confident | 86 Ų | 86 | 16.6 Ų | 16.6 | 56% | 0.558 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -30.6 | 175.9 | -31.3 | 36.5 | 0 | 0 | 0 | 114.3 | V105 R115 | V105-P148 WeakPolarHBondContact O-CD 3.39Å; R115-P148 PolarHBondContact NH2-O 2.98Å |
| 149 | D | 84 | Confident | 87.2 | Confident | 87 Ų | 87 | 18.9 Ų | 18.9 | 47% | 0.465 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -4.1 | 178 | 79.2 | -51.9 | 0 | 0 | 0 | 114.5 | L147 R343 | L147-D149 PolarHBondContact O-N 3.23Å; D149-R343 IonicContact OD1-NH1 2.98Å; D149-R343 PolarHBondContact OD1-NH1 2.89Å; D149-R343 IonicContact OD2-CZ 3.17Å; D149-R343 IonicContact OD2-NH1 3.53Å; D149-R343 PolarHBondContact OD2-NH1 3.27Å |
| 150 | S | 89.2 | Confident | 85.4 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 147.3 | 172.8 | -76.7 | 0 | 0 | 0 | 0 | 111 | R115 L147 | R115-S150 PolarHBondContact NH1-O 3.39Å; L147-S150 PolarHBondContact N-OG 3.38Å; L147-S150 WeakPolarHBondContact O-CB 3.26Å; L147-S150 PolarHBondContact O-N 3.15Å |
| 151 | H | 90.5 | Very high | 83.3 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 11% | 0.111 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 155.9 | 175.6 | 59.7 | -74.4 | 0 | 0 | 0 | 110.8 | S141 S153 R304 R306 E357 | S141-H151 PolarHBondContact OG-O 2.93Å; H151-S153 PolarHBondContact CD2-OG 3.01Å; H151-S153 PolarHBondContact NE2-OG 2.82Å; H151-R304 CarbonylContact C-O 3.42Å; H151-R304 VanDerWaalsContact CA-O 3.27Å; H151-R304 WeakPolarHBondContact CA-O 3.34Å; H151-R304 HydrophobicContact CB-CB 4.18Å; H151-R304 WeakPolarHBondContact CB-O 3.43Å; H151-R306 PolarHBondContact CE1-NH1 3.27Å; H151-R306 VanDerWaalsContact CE1-NH1 3.31Å; H151-R306 PolarHBondContact NE2-NH1 2.99Å; H151-E357 IonicContact CE1-OE1 2.93Å |
| 152 | C | 92.7 | Very high | 81.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.1 | 171.9 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | S141 R304 Y305 R306 | S141-C152 PolarHBondContact OG-SG 3.13Å; C152-R304 PolarHBondContact N-O 3.05Å; C152-Y305 HydrophobicContact CB-CD1 3.46Å; C152-Y305 VanDerWaalsContact CB-CD1 3.46Å; C152-Y305 HydrophobicContact CB-CE1 3.61Å; C152-Y305 HydrophobicContact CB-CG 4.17Å; C152-Y305 CarbonylContact O-C 3.55Å; C152-Y305 WeakPolarHBondContact O-CA 3.43Å; C152-R306 PolarHBondContact O-N 3.11Å |
| 153 | S | 92.2 | Very high | 78.9 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.6 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | T138 H151 R306 | T138-S153 PolarHBondContact N-O 3.21Å; T138-S153 WeakPolarHBondContact O-CB 3.47Å; H151-S153 PolarHBondContact CD2-OG 3.01Å; H151-S153 PolarHBondContact NE2-OG 2.82Å; S153-R306 WeakPolarHBondContact CA-O 3.35Å |
| 154 | L | 93.1 | Very high | 76.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136 | 178.5 | -61.4 | -179.7 | 0 | 0 | 0 | 108.1 | A119 L122 I123 V135 R136 R306 I307 S308 | A119-L154 HydrophobicContact CB-CD2 4.18Å; L122-L154 HydrophobicContact CD2-CD1 3.93Å; I123-L154 HydrophobicContact CD1-CD2 4.02Å; I123-L154 HydrophobicContact CG1-CD2 4.42Å; V135-L154 HydrophobicContact CG1-CB 4.1Å; R136-L154 CarbonylContact O-C 3.32Å; R136-L154 VanDerWaalsContact O-CA 3.25Å; R136-L154 WeakPolarHBondContact O-CA 2.83Å; L154-R306 PolarHBondContact N-O 3.12Å; L154-I307 HydrophobicContact CB-CG1 4.23Å; L154-I307 HydrophobicContact CD1-CG1 4.13Å; L154-I307 CarbonylContact O-C 3.52Å; L154-I307 WeakPolarHBondContact O-CA 3.18Å; L154-S308 PolarHBondContact O-N 2.86Å; L154-S308 PolarHBondContact O-OG 3.33Å |
| 155 | D | 88.9 | Confident | 74.2 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.4 | 171.6 | -151.3 | 68.4 | 0 | 0 | 0 | 111 | V135 R136 T138 S308 T309 G310 N311 | V135-D155 WeakPolarHBondContact CA-O 3.47Å; R136-D155 PolarHBondContact N-O 3.4Å; R136-D155 PolarHBondContact O-N 3.39Å; T138-D155 HydrophobicContact CG2-CB 4.5Å; D155-S308 WeakPolarHBondContact OD1-CB 3.33Å; D155-S308 PolarHBondContact OD1-OG 3.06Å; D155-T309 VanDerWaalsContact OD1-CA 3.3Å; D155-T309 WeakPolarHBondContact OD1-CA 3.34Å; D155-T309 PolarHBondContact OD1-N 3.02Å; D155-G310 PolarHBondContact OD1-N 2.89Å; D155-G310 PolarHBondContact OD2-N 2.93Å; D155-N311 PolarHBondContact OD2-N 3.49Å |
| 156 | A | 86.1 | Confident | 71.7 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | I133 V135 V228 I232 I307 S308 T309 | I133-A156 HydrophobicContact CD1-CB 4.17Å; V135-A156 HydrophobicContact CG2-CB 4.28Å; A156-V228 HydrophobicContact CB-CG1 4.38Å; A156-I232 HydrophobicContact CB-CD1 3.79Å; A156-I307 HydrophobicContact CB-CG2 4.29Å; A156-S308 PolarHBondContact N-O 3.15Å; A156-T309 HydrophobicContact CB-CG2 3.84Å; A156-T309 WeakPolarHBondContact O-CG2 3.23Å |
| 157 | I | 79.6 | Confident | 69.3 | Low | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 120.7 | -163.2 | -64.1 | 174.4 | 0 | 0 | 0 | 107.6 | K134 R136 P159 F162 | K134-I157 HydrophobicContact CB-CB 4.39Å; K134-I157 PolarHBondContact N-O 2.87Å; K134-I157 PolarHBondContact O-N 3.16Å; R136-I157 HydrophobicContact CG-CD1 4.29Å; I157-P159 WeakPolarHBondContact O-CD 3.42Å; I157-F162 HydrophobicContact CG2-CE2 3.51Å; I157-F162 HydrophobicContact CG2-CZ 3.82Å |
| 158 | C | 70.7 | Confident | 66.9 | Low | 10 Ų | 10 | 53.1 Ų | 53.1 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | trans | -103.1 | 100.7 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | N160 D161 F162 V228 | C158-N160 PolarHBondContact O-N 3.35Å; C158-N160 VanDerWaalsContact O-N 3.08Å; C158-D161 PolarHBondContact O-N 3.43Å; C158-F162 WeakPolarHBondContact O-CD2 3.4Å; C158-F162 VanDerWaalsContact O-CE2 3.28Å; C158-F162 WeakPolarHBondContact O-CE2 3.29Å; C158-V228 HydrophobicContact CB-CG2 4.36Å | ||
| 159 | P | 60.6 | Low | 64.6 | Low | 60 Ų | 60 | 52.8 Ų | 52.8 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.2 | -166 | -26.2 | 37.4 | 0 | 0 | 0 | 115.4 | N132 I157 | N132-P159 WeakPolarHBondContact O-CD 3.36Å; I157-P159 WeakPolarHBondContact O-CD 3.42Å |
| 160 | N | 51.2 | Low | 62.3 | Low | 124 Ų | 124 | 55.2 Ų | 55.2 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -87.6 | -12.8 | -173 | -64.2 | 11 | 0 | 0 | 0 | 113.7 | C158 | C158-N160 PolarHBondContact O-N 3.35Å; C158-N160 VanDerWaalsContact O-N 3.08Å |
| 161 | D | 47.9 | Very low | 59.6 | Low | 50 Ų | 50 | 57.6 Ų | 57.6 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -107.5 | 12.3 | -175.6 | -93 | -68.6 | 0 | 0 | 0 | 113.5 | C158 N163 S222 M223 | C158-D161 PolarHBondContact O-N 3.43Å; D161-N163 PolarHBondContact O-N 3.4Å; D161-S222 WeakPolarHBondContact OD1-CB 3.39Å; D161-M223 PolarHBondContact OD2-N 3.12Å |
| 162 | F | 47.2 | Very low | 56.7 | Low | 90 Ų | 90 | 60.3 Ų | 60.3 | 40% | 0.395 | 33% | 0.328 | S | S | . | . | trans | -73.4 | 81.6 | 179.3 | -87.3 | -83.8 | 0 | 0 | 0 | 113.5 | I157 C158 L167 P312 | I157-F162 HydrophobicContact CG2-CE2 3.51Å; I157-F162 HydrophobicContact CG2-CZ 3.82Å; C158-F162 WeakPolarHBondContact O-CD2 3.4Å; C158-F162 VanDerWaalsContact O-CE2 3.28Å; C158-F162 WeakPolarHBondContact O-CE2 3.29Å; F162-L167 HydrophobicContact CD1-CD1 4.43Å; F162-L167 HydrophobicContact CE1-CD1 4.11Å; F162-P312 HydrophobicContact CE1-CB 3.73Å; F162-P312 HydrophobicContact CE1-CG 3.88Å; F162-P312 HydrophobicContact CZ-CB 3.9Å; F162-P312 HydrophobicContact CZ-CG 4.49Å | ||
| 163 | N | 46.5 | Very low | 53.8 | Low | 82 Ų | 82 | 63.6 Ų | 63.6 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | trans | -111.3 | 104.8 | 161.5 | -174.3 | -21.9 | 0 | 0 | 0 | 108.4 | D161 N165 K166 | D161-N163 PolarHBondContact O-N 3.4Å; N163-N165 PolarHBondContact O-N 3.38Å; N163-N165 PolarHBondContact OD1-N 2.85Å; N163-N165 PolarHBondContact OD1-ND2 3.19Å; N163-K166 PolarHBondContact O-N 3.45Å | ||
| 164 | E | 43.4 | Very low | 50.7 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -52 | -33.3 | -174.2 | -63.2 | -172.3 | 140.8 | 0 | 0 | 113.2 | K166 L167 L168 P401 | E164-K166 PolarHBondContact O-N 3.3Å; E164-L167 PolarHBondContact O-N 3.46Å; E164-L168 PolarHBondContact O-N 3.46Å; E164-P401 WeakPolarHBondContact OE1-CD 3.31Å; E164-P401 WeakPolarHBondContact OE1-CG 3.4Å |
| 165 | N | 41.4 | Very low | 47.5 | Very low | 114 Ų | 114 | 75.8 Ų | 75.8 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.2 | -24.3 | 179.9 | -57.5 | -52.4 | 0 | 0 | 0 | 113 | N163 A169 | N163-N165 PolarHBondContact O-N 3.38Å; N163-N165 PolarHBondContact OD1-N 2.85Å; N163-N165 PolarHBondContact OD1-ND2 3.19Å; N165-A169 VanDerWaalsContact O-CB 3.29Å; N165-A169 WeakPolarHBondContact O-CB 3.48Å; N165-A169 PolarHBondContact O-N 3.06Å |
| 166 | K | 40.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 80.1 Ų | 80.1 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.3 | -25.1 | 172.1 | -77.3 | -174.3 | 176.9 | 176.9 | 0 | 113.3 | N163 E164 | N163-K166 PolarHBondContact O-N 3.45Å; E164-K166 PolarHBondContact O-N 3.3Å |
| 167 | L | 38.8 | Very low | 41.9 | Very low | 69 Ų | 69 | 88.2 Ų | 88.2 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -80 | -40.8 | 176.5 | -90.2 | 161.6 | 0 | 0 | 0 | 111.1 | F162 E164 A169 M170 | F162-L167 HydrophobicContact CD1-CD1 4.43Å; F162-L167 HydrophobicContact CE1-CD1 4.11Å; E164-L167 PolarHBondContact O-N 3.46Å; L167-A169 PolarHBondContact O-N 3.19Å; L167-M170 PolarHBondContact O-N 2.75Å |
| 168 | L | 36.7 | Very low | 39.5 | Very low | 86 Ų | 86 | 90.8 Ų | 90.8 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -30.8 | 172.6 | -65.6 | 171.9 | 0 | 0 | 0 | 112.3 | E164 M170 | E164-L168 PolarHBondContact O-N 3.46Å; L168-M170 VanDerWaalsContact C-N 3.27Å; L168-M170 PolarHBondContact O-N 3.11Å |
| 169 | A | 35.1 | Very low | 37.5 | Very low | 80 Ų | 80 | 98.2 Ų | 98.2 | 66% | 0.661 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N165 L167 | N165-A169 VanDerWaalsContact O-CB 3.29Å; N165-A169 WeakPolarHBondContact O-CB 3.48Å; N165-A169 PolarHBondContact O-N 3.06Å; L167-A169 PolarHBondContact O-N 3.19Å |
| 170 | M | 35.6 | Very low | 36.1 | Very low | 137 Ų | 137 | 101.3 Ų | 101.3 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | 17.5 | 174.8 | -76.5 | -167.7 | 173.7 | 0 | 0 | 113.9 | L167 L168 I225 | L167-M170 PolarHBondContact O-N 2.75Å; L168-M170 VanDerWaalsContact C-N 3.27Å; L168-M170 PolarHBondContact O-N 3.11Å; M170-I225 HydrophobicContact SD-CG2 4.21Å |
| 171 | D | 32.4 | Very low | 35 | Very low | 53 Ų | 53 | 101.7 Ų | 101.7 | 28% | 0.283 | 55% | 0.55 | S | S | . | . | trans | -71.6 | 130 | 164 | -101.8 | -24.7 | 0 | 0 | 0 | 110.9 | T173 R488 | D171-T173 PolarHBondContact O-N 3.28Å; D171-R488 IonicContact OD1-CZ 3.5Å; D171-R488 VanDerWaalsContact OD1-CZ 3.31Å; D171-R488 IonicContact OD1-NH1 3.24Å; D171-R488 PolarHBondContact OD1-NH1 3.17Å; D171-R488 IonicContact OD1-NH2 2.86Å; D171-R488 PolarHBondContact OD1-NH2 3.37Å; D171-R488 IonicContact OD2-CZ 3.37Å; D171-R488 IonicContact OD2-NH1 2.74Å; D171-R488 PolarHBondContact OD2-NH1 3.35Å; D171-R488 IonicContact OD2-NH2 2.72Å | ||
| 172 | P | 31.4 | Very low | 34.2 | Very low | 80 Ų | 80 | 105.7 Ų | 105.7 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 27.6 | 178.2 | 34 | -36.3 | 0 | 0 | 0 | 113.5 | Q1080 | P172-Q1080 PolarHBondContact O-NE2 3.21Š|
| 173 | T | 31.2 | Very low | 33.4 | Very low | 70 Ų | 70 | 105 Ų | 105 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -150 | 25.6 | -167.9 | 46.4 | 0 | 0 | 0 | 0 | 116.6 | D171 | D171-T173 PolarHBondContact O-N 3.28Š|
| 174 | T | 27.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 107.5 Ų | 107.5 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | trans | -142.3 | 85.9 | 170.2 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 175 | D | 24.9 | Very low | 32.3 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 89% | 0.888 | 62% | 0.621 | S | S | * | * | trans | -144 | 66.3 | 162.7 | -96.1 | -37.8 | 0 | 0 | 0 | 107.6 | ||||
| 176 | D | 30.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | trans | -159.1 | 44.2 | 172 | -116.8 | -7.5 | 0 | 0 | 0 | 114 | C178 K1089 | D176-C178 PolarHBondContact O-N 3.27Å; D176-K1089 IonicContact OD1-NZ 3.22Å; D176-K1089 PolarHBondContact OD1-NZ 2.94Å; D176-K1089 WeakPolarHBondContact OD2-CE 3.32Å; D176-K1089 IonicContact OD2-NZ 3.81Å; D176-K1089 PolarHBondContact OD2-NZ 3.47Å | ||
| 177 | D | 27.2 | Very low | 31.4 | Very low | 172 Ų | 172 | 111.6 Ų | 111.6 | 92% | 0.92 | 64% | 0.637 | S | S | * | * | trans | -76.4 | 63.7 | 160.5 | -84.1 | -35.5 | 0 | 0 | 0 | 109.9 | E179 | D177-E179 PolarHBondContact O-N 2.97Š| ||
| 178 | C | 30.2 | Very low | 31.2 | Very low | 72 Ų | 72 | 115 Ų | 115 | 49% | 0.486 | 66% | 0.655 | S | S | . | * | trans | -77.1 | 94.2 | 164.9 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | D176 D180 | D176-C178 PolarHBondContact O-N 3.27Å; C178-D180 PolarHBondContact O-N 3.1Å | ||
| 179 | E | 27.9 | Very low | 31.2 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | trans | -69.9 | 71 | 166.4 | -74.2 | -155.6 | 150.5 | 0 | 0 | 110.6 | D177 N181 | D177-E179 PolarHBondContact O-N 2.97Å; E179-N181 PolarHBondContact O-N 3.44Å | ||
| 180 | D | 30.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | trans | -65.7 | 75.3 | 171.8 | -68.9 | -6.4 | 0 | 0 | 0 | 109.7 | C178 D182 | C178-D180 PolarHBondContact O-N 3.1Å; D180-D182 PolarHBondContact O-N 2.9Å; D180-D182 VanDerWaalsContact O-N 3.15Å | ||
| 181 | N | 28.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -82.1 | 39.7 | 173.4 | -81.8 | -70.3 | 0 | 0 | 0 | 111.6 | E179 G183 | E179-N181 PolarHBondContact O-N 3.44Å; N181-G183 VanDerWaalsContact C-N 3.28Å; N181-G183 PolarHBondContact O-N 3.46Å | ||
| 182 | D | 30 | Very low | 31.4 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -72.8 | 83.6 | 176 | -70.4 | -9 | 0 | 0 | 0 | 109.7 | D180 | D180-D182 PolarHBondContact O-N 2.9Å; D180-D182 VanDerWaalsContact O-N 3.15Å | ||
| 183 | G | 31.6 | Very low | 31.7 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | -102.3 | 65 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N181 | N181-G183 VanDerWaalsContact C-N 3.28Å; N181-G183 PolarHBondContact O-N 3.46Å | ||
| 184 | D | 31.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 156.4 | -170.9 | -74.3 | -41.4 | 0 | 0 | 0 | 116 | ||||
| 185 | E | 33.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | 77.3 | 94.2 | 159.5 | -71.7 | 168.3 | -159.2 | 0 | 0 | 120.5 | ||||
| 186 | E | 31.4 | Very low | 33.4 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | 61.3 | 137.8 | 120 | -63.6 | 169.9 | -171.1 | 0 | 0 | 121.7 | |||||
| 187 | G | 31.8 | Very low | 33.9 | Very low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | cis | -117.5 | -126.5 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 188 | D | 35 | Very low | 34.6 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | cis | -169.7 | 144.3 | -5.3 | 29.1 | -88.1 | 0 | 0 | 0 | 108.5 | ||||
| 189 | D | 36.7 | Very low | 35.1 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | cis | -160.1 | 159.3 | -17 | -79.1 | -36.5 | 0 | 0 | 0 | 109.8 | ||||
| 190 | N | 34.7 | Very low | 35.7 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 61 | 154.3 | 166 | -68.3 | 27.3 | 0 | 0 | 0 | 119.7 | ||||
| 191 | D | 34 | Very low | 36.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | cis | -160.6 | 176.6 | -8.5 | -105 | -29.6 | 0 | 0 | 0 | 110.9 | ||||
| 192 | D | 37.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | 75.9 | 97.7 | 158.7 | -68.1 | -19.4 | 0 | 0 | 0 | 123.6 | ||||
| 193 | H | 38.7 | Very low | 36.5 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | 77.4 | 143 | 120.7 | -84.4 | -71.5 | 0 | 0 | 0 | 125.8 | |||||
| 194 | H | 40.4 | Very low | 36.5 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | 77.3 | 136.9 | 160.4 | -55.7 | -59.2 | 0 | 0 | 0 | 119.7 | ||||
| 195 | D | 38 | Very low | 36.4 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | cis | -169.3 | 171.5 | -18.4 | -106.2 | -2.3 | 0 | 0 | 0 | 109.8 | ||||
| 196 | D | 39.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | trans | 68.4 | 108 | 156.3 | -53.8 | -12.4 | 0 | 0 | 0 | 123.3 | ||||
| 197 | D | 41.5 | Very low | 35.9 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | 85.8 | 122.3 | 114.6 | -59.2 | -2.9 | 0 | 0 | 0 | 126.2 | |||||
| 198 | D | 41.7 | Very low | 36.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | 86.8 | 109 | 127.1 | -64.2 | 7.3 | 0 | 0 | 0 | 125.6 | |||||
| 199 | D | 41 | Very low | 35.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | 83.9 | 115.9 | 115.7 | -72.2 | 14.4 | 0 | 0 | 0 | 125.5 | |||||
| 200 | D | 41.8 | Very low | 35.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | 59 | 148.7 | 112.7 | -73 | 18.7 | 0 | 0 | 0 | 123.4 | |||||
| 201 | D | 37.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | cis | -164.1 | 163 | -19.5 | -155.8 | 6.7 | 0 | 0 | 0 | 112.9 | ||||
| 202 | D | 35 | Very low | 35 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 48.3 | 133.5 | 143.3 | -114.7 | 13.5 | 0 | 0 | 0 | 128.7 | ||||
| 203 | N | 32.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | trans | 58 | 161 | 132.2 | -85 | -40.5 | 0 | 0 | 0 | 122.8 | ||||
| 204 | E | 31.3 | Very low | 34.1 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | cis | -152 | -154.2 | 12.5 | -142.8 | 177.3 | -172.6 | 0 | 0 | 113.7 | ||||
| 205 | Q | 29.9 | Very low | 33.6 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -103.4 | 161.6 | -160.7 | -55.9 | 163.4 | 20.2 | 0 | 0 | 116.4 | ||||
| 206 | S | 26.4 | Very low | 33.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 174.2 | 173.1 | 131.5 | 51 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 207 | S | 26.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -163.4 | 169.3 | 174.2 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 208 | P | 38.5 | Very low | 31.9 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -131.5 | -156.3 | -12.8 | 38.4 | -18.5 | 0 | 0 | 0 | 112.8 | ||||
| 209 | Q | 25.6 | Very low | 31.2 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 88.1 | 154 | 166.6 | -69.9 | -77.2 | -73.1 | 0 | 0 | 118.3 | ||||
| 210 | P | 37.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | -124 | 163.3 | -143.4 | 42.6 | -31.2 | 0 | 0 | 0 | 117 | ||||
| 211 | V | 28.8 | Very low | 30.3 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -137.1 | 146.7 | 158.5 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 212 | C | 24.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 136.8 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 213 | G | 30.3 | Very low | 30.6 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -140.6 | 131.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 214 | Q | 27.3 | Very low | 31.2 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -87.6 | 131.3 | -175 | -66.5 | 174.1 | -42.7 | 0 | 0 | 111.5 | ||||
| 215 | S | 29.1 | Very low | 32.1 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -140.3 | 138.1 | 151.4 | 60.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 216 | T | 27.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 118.6 Ų | 118.6 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -82.6 | 128.8 | 174.3 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 217 | N | 29.4 | Very low | 34.8 | Very low | 142 Ų | 142 | 120.3 Ų | 120.3 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | -159.4 | 112.8 | 156.8 | -95.1 | -30.6 | 0 | 0 | 0 | 109.2 | T219 | N217-T219 PolarHBondContact O-N 3.43Å; N217-T219 VanDerWaalsContact O-N 3.12Å; N217-T219 PolarHBondContact O-OG1 3.43Å | ||
| 218 | D | 26.1 | Very low | 36.8 | Very low | 169 Ų | 169 | 115.1 Ų | 115.1 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | -62.5 | 112.1 | 171.7 | -62.1 | -75.5 | 0 | 0 | 0 | 109.4 | ||||
| 219 | T | 28 | Very low | 38.7 | Very low | 127 Ų | 127 | 109.9 Ų | 109.9 | 78% | 0.779 | 63% | 0.629 | S | S | * | * | trans | -107 | 101.4 | 177.1 | 4.5 | 0 | 0 | 0 | 0 | 108.7 | N217 Q221 | N217-T219 PolarHBondContact O-N 3.43Å; N217-T219 VanDerWaalsContact O-N 3.12Å; N217-T219 PolarHBondContact O-OG1 3.43Å; T219-Q221 PolarHBondContact O-N 2.9Å; T219-Q221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | E | 31.2 | Very low | 41 | Very low | 196 Ų | 196 | 102.8 Ų | 102.8 | 92% | 0.916 | 60% | 0.599 | S | S | * | * | trans | -59.2 | 115.7 | 173.7 | -66.1 | -171.7 | 125 | 0 | 0 | 109.8 | S222 | E220-S222 PolarHBondContact O-N 3.06Å; E220-S222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | Q | 33.3 | Very low | 43 | Very low | 177 Ų | 177 | 100.9 Ų | 100.9 | 83% | 0.827 | 58% | 0.583 | S | S | * | * | trans | -74.7 | 100.7 | 175.2 | -70.7 | -174.3 | -15.1 | 0 | 0 | 109.5 | T219 M223 | T219-Q221 PolarHBondContact O-N 2.9Å; T219-Q221 VanDerWaalsContact O-N 3.14Å; Q221-M223 PolarHBondContact O-N 3.41Å | ||
| 222 | S | 35.5 | Very low | 45.9 | Very low | 77 Ų | 77 | 93.8 Ų | 93.8 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | trans | -49.7 | 124 | 171.3 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | D161 E220 G224 | D161-S222 WeakPolarHBondContact OD1-CB 3.39Å; E220-S222 PolarHBondContact O-N 3.06Å; E220-S222 VanDerWaalsContact O-N 3.1Å; S222-G224 VanDerWaalsContact C-N 3.35Å; S222-G224 PolarHBondContact O-N 2.86Å | ||
| 223 | M | 42.3 | Very low | 48.8 | Very low | 60 Ų | 60 | 89.9 Ų | 89.9 | 30% | 0.296 | 51% | 0.51 | S | S | . | . | trans | -83.4 | 78.4 | -168.4 | -83.2 | 179.2 | 46.8 | 0 | 0 | 111.1 | D161 Q221 V228 | D161-M223 PolarHBondContact OD2-N 3.12Å; Q221-M223 PolarHBondContact O-N 3.41Å; M223-V228 HydrophobicContact CE-CG2 4.31Å | ||
| 224 | G | 45.2 | Very low | 51.3 | Low | 40 Ų | 40 | 90.4 Ų | 90.4 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | trans | -51 | 141.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S222 G226 Y227 | S222-G224 VanDerWaalsContact C-N 3.35Å; S222-G224 PolarHBondContact O-N 2.86Å; G224-G226 PolarHBondContact O-N 3.29Å; G224-Y227 WeakPolarHBondContact O-CB 3.28Å; G224-Y227 PolarHBondContact O-N 2.93Å | ||
| 225 | I | 50.3 | Low | 54.3 | Low | 62 Ų | 62 | 82.6 Ų | 82.6 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -50.2 | -35.8 | -164.3 | -148.5 | 80 | 0 | 0 | 0 | 114.6 | M170 Y227 V228 T309 | M170-I225 HydrophobicContact SD-CG2 4.21Å; I225-Y227 VanDerWaalsContact C-N 3.35Å; I225-Y227 PolarHBondContact O-N 3.06Å; I225-V228 WeakPolarHBondContact O-CB 3.48Å; I225-V228 PolarHBondContact O-N 2.89Å; I225-T309 HydrophobicContact CD1-CG2 4.27Å; I225-T309 HydrophobicContact CG1-CG2 3.98Å; I225-T309 WeakPolarHBondContact CG1-OG1 3.41Å |
| 226 | G | 50.8 | Low | 57.2 | Low | 35 Ų | 35 | 77.2 Ų | 77.2 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.6 | -25.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G224 S230 | G224-G226 PolarHBondContact O-N 3.29Å; G226-S230 PolarHBondContact O-N 3.45Å |
| 227 | Y | 62.9 | Low | 60 | Low | 160 Ų | 160 | 75.9 Ų | 75.9 | 63% | 0.627 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -72 | -37.3 | 172 | -98.1 | -83.1 | 0 | 0 | 0 | 111.5 | G224 I225 L229 S230 N231 | G224-Y227 WeakPolarHBondContact O-CB 3.28Å; G224-Y227 PolarHBondContact O-N 2.93Å; I225-Y227 VanDerWaalsContact C-N 3.35Å; I225-Y227 PolarHBondContact O-N 3.06Å; Y227-L229 PolarHBondContact O-N 3.38Å; Y227-S230 PolarHBondContact O-N 3.27Å; Y227-S230 VanDerWaalsContact O-N 3.15Å; Y227-N231 VanDerWaalsContact O-CG 3.31Å; Y227-N231 PolarHBondContact O-N 2.94Å |
| 228 | V | 68.8 | Low | 62.7 | Low | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.012 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -51.7 | 179.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | I133 A156 C158 M223 I225 S230 N231 I232 | I133-V228 HydrophobicContact CD1-CG1 3.48Å; I133-V228 VanDerWaalsContact CD1-CG1 3.48Å; I133-V228 HydrophobicContact CG1-CG1 4.12Å; A156-V228 HydrophobicContact CB-CG1 4.38Å; C158-V228 HydrophobicContact CB-CG2 4.36Å; M223-V228 HydrophobicContact CE-CG2 4.31Å; I225-V228 WeakPolarHBondContact O-CB 3.48Å; I225-V228 PolarHBondContact O-N 2.89Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.9Å; V228-N231 PolarHBondContact O-N 3.47Å; V228-I232 HydrophobicContact CG1-CD1 4.24Å; V228-I232 WeakPolarHBondContact O-CG1 3.49Å; V228-I232 PolarHBondContact O-N 3.14Å |
| 229 | L | 77.9 | Confident | 65.7 | Low | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.9 | -26.4 | 176.7 | -70.3 | 172.1 | 0 | 0 | 0 | 113.4 | Y227 I232 F233 F293 L295 I307 T309 | Y227-L229 PolarHBondContact O-N 3.38Å; L229-I232 HydrophobicContact CD2-CD1 4.29Å; L229-F233 VanDerWaalsContact O-CB 3.27Å; L229-F233 WeakPolarHBondContact O-CB 3.24Å; L229-F233 PolarHBondContact O-N 3.21Å; L229-F293 HydrophobicContact CD1-CD1 3.82Å; L229-L295 HydrophobicContact CD2-CD1 4.25Å; L229-L295 HydrophobicContact CD2-CG 4.12Å; L229-L295 WeakPolarHBondContact O-CD1 3.35Å; L229-I307 HydrophobicContact CD2-CG2 4.13Å; L229-T309 HydrophobicContact CD1-CG2 3.85Å; L229-T309 WeakPolarHBondContact CD1-OG1 3.5Å; L229-T309 HydrophobicContact CD2-CG2 3.89Å; L229-T309 HydrophobicContact CG-CG2 3.59Å |
| 230 | S | 75.4 | Confident | 68.4 | Low | 29 Ų | 29 | 66.8 Ų | 66.8 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.9 | -43.3 | 173.4 | -144.8 | 0 | 0 | 0 | 0 | 111.7 | G226 Y227 V228 I232 F233 D234 R287 | G226-S230 PolarHBondContact O-N 3.45Å; Y227-S230 PolarHBondContact O-N 3.27Å; Y227-S230 VanDerWaalsContact O-N 3.15Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.9Å; S230-I232 VanDerWaalsContact C-N 3.35Å; S230-I232 PolarHBondContact O-N 3.07Å; S230-F233 WeakPolarHBondContact O-CB 3.3Å; S230-F233 PolarHBondContact O-N 3.22Å; S230-F233 VanDerWaalsContact O-N 3.15Å; S230-D234 PolarHBondContact O-N 3.44Å; S230-R287 PolarHBondContact OG-NH1 2.96Å |
| 231 | N | 79.7 | Confident | 70.7 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.9 | -68.4 | -9.2 | 0 | 0 | 0 | 111.8 | I130 Y227 V228 L235 | I130-N231 HydrophobicContact CD1-CB 4.06Å; Y227-N231 VanDerWaalsContact O-CG 3.31Å; Y227-N231 PolarHBondContact O-N 2.94Å; V228-N231 PolarHBondContact O-N 3.47Å; N231-L235 WeakPolarHBondContact O-CB 3.15Å; N231-L235 PolarHBondContact O-N 3.33Å; N231-L235 VanDerWaalsContact O-N 3.11Å |
| 232 | I | 87.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 171.8 | -62.9 | 166.3 | 0 | 0 | 0 | 110.5 | I126 I130 I133 A156 V228 L229 S230 L235 L236 L295 I307 | I126-I232 HydrophobicContact CD1-CG2 4.18Å; I126-I232 HydrophobicContact CG2-CG1 4.2Å; I130-I232 HydrophobicContact CD1-CB 4.36Å; I130-I232 HydrophobicContact CD1-CG1 3.61Å; I133-I232 HydrophobicContact CD1-CD1 3.7Å; I133-I232 HydrophobicContact CD1-CG1 4.07Å; A156-I232 HydrophobicContact CB-CD1 3.79Å; V228-I232 HydrophobicContact CG1-CD1 4.24Å; V228-I232 WeakPolarHBondContact O-CG1 3.49Å; V228-I232 PolarHBondContact O-N 3.14Å; L229-I232 HydrophobicContact CD2-CD1 4.29Å; S230-I232 VanDerWaalsContact C-N 3.35Å; S230-I232 PolarHBondContact O-N 3.07Å; I232-L235 PolarHBondContact O-N 2.88Å; I232-L236 HydrophobicContact CG2-CD1 3.52Å; I232-L236 HydrophobicContact CG2-CG 4Å; I232-L236 WeakPolarHBondContact O-CB 3.3Å; I232-L236 VanDerWaalsContact O-CG 3.24Å; I232-L236 WeakPolarHBondContact O-CG 3.41Å; I232-L236 PolarHBondContact O-N 2.91Å; I232-L295 HydrophobicContact CB-CD1 3.82Å; I232-L295 HydrophobicContact CG2-CD1 3.55Å; I232-I307 HydrophobicContact CD1-CG2 4.29Å; I232-I307 HydrophobicContact CG2-CD1 4Å |
| 233 | F | 86.6 | Confident | 72.3 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 17% | 0.171 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -52.9 | -179.9 | 175.8 | -102.3 | 0 | 0 | 0 | 111.7 | L229 S230 L235 L236 Q237 V285 R287 L295 | L229-F233 VanDerWaalsContact O-CB 3.27Å; L229-F233 WeakPolarHBondContact O-CB 3.24Å; L229-F233 PolarHBondContact O-N 3.21Å; S230-F233 WeakPolarHBondContact O-CB 3.3Å; S230-F233 PolarHBondContact O-N 3.22Å; S230-F233 VanDerWaalsContact O-N 3.15Å; F233-L235 VanDerWaalsContact C-N 3.32Å; F233-L235 PolarHBondContact O-N 2.7Å; F233-L236 PolarHBondContact O-N 2.98Å; F233-Q237 VanDerWaalsContact O-CB 3.31Å; F233-Q237 WeakPolarHBondContact O-CB 3.23Å; F233-Q237 PolarHBondContact O-N 2.89Å; F233-V285 HydrophobicContact CD2-CG1 3.71Å; F233-V285 HydrophobicContact CE2-CB 4.48Å; F233-V285 HydrophobicContact CE2-CG1 3.86Å; F233-R287 HydrophobicContact CD2-CB 4.01Å; F233-R287 HydrophobicContact CE2-CB 3.96Å; F233-L295 HydrophobicContact CB-CD1 3.96Å; F233-L295 HydrophobicContact CB-CD2 3.85Å; F233-L295 HydrophobicContact CD2-CD2 4Å; F233-L295 HydrophobicContact CG-CD2 4.31Å |
| 234 | D | 83.2 | Confident | 72.1 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | -179.4 | -65.6 | -37.3 | 0 | 0 | 0 | 111.5 | S230 Q237 L238 | S230-D234 PolarHBondContact O-N 3.44Å; D234-Q237 PolarHBondContact O-N 3.36Å; D234-L238 VanDerWaalsContact O-CG 3.27Å; D234-L238 WeakPolarHBondContact O-CG 3.25Å; D234-L238 PolarHBondContact O-N 3.15Å; D234-L238 VanDerWaalsContact O-N 3.09Å |
| 235 | L | 89.3 | Confident | 71.5 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.8 | 174.9 | 59.9 | 0 | 0 | 0 | 112.7 | R129 I130 N231 I232 F233 N239 F279 | R129-L235 HydrophobicContact CB-CD1 4.34Å; R129-L235 HydrophobicContact CB-CD2 3.86Å; I130-L235 HydrophobicContact CD1-CD2 3.94Å; I130-L235 HydrophobicContact CG1-CD2 3.84Å; N231-L235 WeakPolarHBondContact O-CB 3.15Å; N231-L235 PolarHBondContact O-N 3.33Å; N231-L235 VanDerWaalsContact O-N 3.11Å; I232-L235 PolarHBondContact O-N 2.88Å; F233-L235 VanDerWaalsContact C-N 3.32Å; F233-L235 PolarHBondContact O-N 2.7Å; L235-N239 PolarHBondContact O-ND2 2.84Å; L235-F279 HydrophobicContact CD1-CE2 4.05Å; L235-F279 HydrophobicContact CD1-CZ 3.96Å; L235-F279 HydrophobicContact CD2-CZ 4Å; L235-F279 HydrophobicContact CG-CE2 4.38Å; L235-F279 HydrophobicContact CG-CZ 3.79Å |
| 236 | L | 90.4 | Very high | 70.5 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.8 | -40 | 177.3 | -67.1 | 171.6 | 0 | 0 | 0 | 111.4 | L122 I126 I232 F233 L238 N239 A240 F279 F282 V285 L295 L297 I307 | L122-L236 HydrophobicContact CD1-CD2 3.74Å; I126-L236 HydrophobicContact CD1-CD2 4.42Å; I232-L236 HydrophobicContact CG2-CD1 3.52Å; I232-L236 HydrophobicContact CG2-CG 4Å; I232-L236 WeakPolarHBondContact O-CB 3.3Å; I232-L236 VanDerWaalsContact O-CG 3.24Å; I232-L236 WeakPolarHBondContact O-CG 3.41Å; I232-L236 PolarHBondContact O-N 2.91Å; F233-L236 PolarHBondContact O-N 2.98Å; L236-L238 PolarHBondContact O-N 3.49Å; L236-N239 CarbonylContact O-C 3.54Å; L236-N239 PolarHBondContact O-N 3.12Å; L236-A240 PolarHBondContact O-N 3.23Å; L236-F279 HydrophobicContact CD2-CD1 4.39Å; L236-F279 HydrophobicContact CD2-CE1 3.93Å; L236-F282 HydrophobicContact CB-CE2 4.32Å; L236-F282 HydrophobicContact CB-CZ 4.15Å; L236-F282 HydrophobicContact CD2-CE1 4.14Å; L236-F282 HydrophobicContact CD2-CE2 4.48Å; L236-F282 HydrophobicContact CD2-CZ 3.77Å; L236-F282 WeakPolarHBondContact O-CE2 3.36Å; L236-F282 WeakPolarHBondContact O-CZ 3.33Å; L236-V285 HydrophobicContact CB-CG1 4.13Å; L236-V285 HydrophobicContact CB-CG2 3.77Å; L236-L295 HydrophobicContact CD1-CD1 4.31Å; L236-L297 HydrophobicContact CD1-CD2 3.91Å; L236-L297 HydrophobicContact CD2-CD2 3.89Å; L236-L297 HydrophobicContact CG-CD2 4.43Å; L236-I307 HydrophobicContact CD1-CD1 3.8Å |
| 237 | Q | 85.8 | Confident | 69.5 | Low | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.6 | -39.7 | 176.5 | -162 | 80.3 | 10.8 | 0 | 0 | 111.2 | F233 D234 N239 | F233-Q237 VanDerWaalsContact O-CB 3.31Å; F233-Q237 WeakPolarHBondContact O-CB 3.23Å; F233-Q237 PolarHBondContact O-N 2.89Å; D234-Q237 PolarHBondContact O-N 3.36Å; Q237-N239 VanDerWaalsContact C-N 3.3Å; Q237-N239 PolarHBondContact O-N 3.23Å |
| 238 | L | 87.1 | Confident | 67.9 | Low | 146 Ų | 146 | 74.5 Ų | 74.5 | 76% | 0.764 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.8 | 176.8 | -72.7 | 168.3 | 0 | 0 | 0 | 114.7 | D234 L236 | D234-L238 VanDerWaalsContact O-CG 3.27Å; D234-L238 WeakPolarHBondContact O-CG 3.25Å; D234-L238 PolarHBondContact O-N 3.15Å; D234-L238 VanDerWaalsContact O-N 3.09Å; L236-L238 PolarHBondContact O-N 3.49Å |
| 239 | N | 88.1 | Confident | 66 | Low | 64 Ų | 64 | 82.6 Ų | 82.6 | 34% | 0.342 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 1.9 | -177.2 | -70.1 | -92.4 | 0 | 0 | 0 | 113.4 | L235 L236 Q237 F279 F282 | L235-N239 PolarHBondContact O-ND2 2.84Å; L236-N239 CarbonylContact O-C 3.54Å; L236-N239 PolarHBondContact O-N 3.12Å; Q237-N239 VanDerWaalsContact C-N 3.3Å; Q237-N239 PolarHBondContact O-N 3.23Å; N239-F279 HydrophobicContact CB-CB 4.33Å; N239-F279 HydrophobicContact CB-CD2 3.65Å; N239-F279 HydrophobicContact CB-CE2 4.08Å; N239-F279 HydrophobicContact CB-CG 3.94Å; N239-F279 VanDerWaalsContact CG-CE2 3.49Å; N239-F279 WeakPolarHBondContact OD1-CD2 3.45Å; N239-F282 HydrophobicContact CB-CE1 4.5Å; N239-F282 HydrophobicContact CB-CZ 4.12Å |
| 240 | A | 85.4 | Confident | 64 | Low | 36 Ų | 36 | 88.8 Ų | 88.8 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 144.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L236 F282 V285 | L236-A240 PolarHBondContact O-N 3.23Å; A240-F282 HydrophobicContact CB-CD2 4.2Å; A240-F282 HydrophobicContact CB-CE2 3.74Å; A240-V285 HydrophobicContact CB-CG2 4.25Å |
| 241 | C | 78.5 | Confident | 61.7 | Low | 49 Ų | 49 | 98.4 Ų | 98.4 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 145.4 | 167.6 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | F282 F300 | C241-F282 WeakPolarHBondContact CB-O 3.42Å; C241-F282 PolarHBondContact N-O 3.08Å; C241-F300 HydrophobicContact CB-CZ 4.21Å |
| 242 | E | 54.2 | Low | 59.4 | Low | 198 Ų | 198 | 100.9 Ų | 100.9 | 93% | 0.925 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 138.1 | 177.6 | -66.2 | -170.5 | 145.8 | 0 | 0 | 111.8 | ||
| 243 | S | 47.9 | Very low | 56.9 | Low | 76 Ų | 76 | 106.6 Ų | 106.6 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -75.3 | 144.4 | -167.1 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | T245 | S243-T245 PolarHBondContact O-N 2.85Š|
| 244 | P | 39.1 | Very low | 54.3 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -68.3 | 124.2 | 173 | 28.3 | -33.6 | 0 | 0 | 0 | 111.9 | ||
| 245 | T | 32.3 | Very low | 51.7 | Low | 129 Ų | 129 | 112.6 Ų | 112.6 | 79% | 0.791 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 76.2 | 153.6 | 173.3 | 75.8 | 0 | 0 | 0 | 0 | 117.7 | S243 | S243-T245 PolarHBondContact O-N 2.85Š|
| 246 | N | 29.6 | Very low | 49 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | trans | -83.9 | 130.2 | -162 | -67.8 | -74.9 | 0 | 0 | 0 | 114.7 | ||||
| 247 | T | 29.4 | Very low | 46.3 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 67% | 0.671 | S | S | * | * | trans | -131.6 | 118.1 | 159.5 | 30.4 | 0 | 0 | 0 | 0 | 111.6 | Q249 | T247-Q249 PolarHBondContact O-N 3.38Š| ||
| 248 | P | 29.5 | Very low | 43.6 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -89.2 | 61.8 | -167.6 | 36.1 | -37.8 | 0 | 0 | 0 | 113.8 | ||||
| 249 | Q | 29.2 | Very low | 40.9 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -134.4 | 24.3 | 178.7 | -72.7 | -156.7 | 8.3 | 0 | 0 | 116.9 | T247 | T247-Q249 PolarHBondContact O-N 3.38Š| ||
| 250 | I | 35.1 | Very low | 38.4 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 68% | 0.677 | 70% | 0.695 | S | S | * | * | trans | -121.8 | 99.3 | 164.4 | -53.2 | -179.3 | 0 | 0 | 0 | 110.4 | I253 | I250-I253 HydrophobicContact CG2-CB 4.28Å; I250-I253 HydrophobicContact CG2-CD1 4.15Å; I250-I253 HydrophobicContact CG2-CG1 4.3Å | ||
| 251 | R | 26.6 | Very low | 35.6 | Very low | 231 Ų | 231 | 131.1 Ų | 131.1 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | -136.4 | 5.2 | 166.7 | -89 | -164 | 175.5 | -161.8 | -1.9 | 114.6 | ||||
| 252 | T | 31.2 | Very low | 33 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -113 | 1.4 | -176 | 30.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 253 | I | 36.4 | Very low | 31.9 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -93.2 | -27.9 | 173.9 | -60.9 | 179.3 | 0 | 0 | 0 | 111.2 | I250 E255 K256 | I250-I253 HydrophobicContact CG2-CB 4.28Å; I250-I253 HydrophobicContact CG2-CD1 4.15Å; I250-I253 HydrophobicContact CG2-CG1 4.3Å; I253-E255 PolarHBondContact O-N 3.26Å; I253-E255 VanDerWaalsContact O-N 3.07Å; I253-K256 PolarHBondContact O-N 3.49Å |
| 254 | S | 31 | Very low | 30.9 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -13.3 | -178.2 | -167.8 | 0 | 0 | 0 | 0 | 115 | ||
| 255 | E | 29.6 | Very low | 30.3 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -17.4 | -176.3 | -65.6 | -179.4 | 154.1 | 0 | 0 | 113.1 | I253 | I253-E255 PolarHBondContact O-N 3.26Å; I253-E255 VanDerWaalsContact O-N 3.07Å |
| 256 | K | 33.5 | Very low | 30.3 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -18.2 | 172.8 | -85.5 | -169.8 | 171.3 | -173.8 | 0 | 114.2 | I253 A258 S259 | I253-K256 PolarHBondContact O-N 3.49Å; K256-A258 PolarHBondContact O-N 3Å; K256-S259 PolarHBondContact O-OG 2.97Å |
| 257 | A | 33.6 | Very low | 30.2 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -15.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 258 | A | 28.1 | Very low | 30.2 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -13.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K256 F260 | K256-A258 PolarHBondContact O-N 3Å; A258-F260 PolarHBondContact O-N 3.38Å |
| 259 | S | 30.4 | Very low | 30.3 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 10.7 | -173.7 | 64 | 0 | 0 | 0 | 0 | 115.1 | K256 | K256-S259 PolarHBondContact O-OG 2.97Š|
| 260 | F | 34.9 | Very low | 30.4 | Very low | 187 Ų | 187 | 137.3 Ų | 137.3 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 20.5 | -177.6 | -103.6 | -76.6 | 0 | 0 | 0 | 114.4 | A258 | A258-F260 PolarHBondContact O-N 3.38Š|
| 261 | N | 26.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -130.5 | 80 | 178 | -89.4 | -50.1 | 0 | 0 | 0 | 112.4 | ||||
| 262 | C | 25.7 | Very low | 31 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 89% | 0.892 | 76% | 0.755 | S | S | * | * | trans | -157.4 | 65.5 | 159.7 | -164.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 263 | S | 30.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -149.7 | 141.4 | 150.1 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 264 | T | 27.8 | Very low | 32.7 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | trans | -97.7 | 122.2 | -166.8 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 265 | G | 26.5 | Very low | 34.8 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 130.6 | 94.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 266 | H | 31.1 | Very low | 37.3 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | -175.4 | 116.3 | 119.9 | -106.5 | -75.2 | 0 | 0 | 0 | 112 | T268 | H266-T268 PolarHBondContact O-N 2.96Š| |||
| 267 | N | 27.9 | Very low | 39.9 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | -84.4 | 72.8 | 173.9 | -84 | -21.7 | 0 | 0 | 0 | 111.9 | ||||
| 268 | T | 28.8 | Very low | 42.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | -165 | 88.1 | 164.9 | 34.5 | 0 | 0 | 0 | 0 | 112.9 | H266 | H266-T268 PolarHBondContact O-N 2.96Š| ||
| 269 | K | 32.1 | Very low | 45.6 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -177.2 | 83.1 | 150.3 | -107.8 | 166.8 | -174.3 | -94.5 | 0 | 111.2 | E272 | K269-E272 IonicContact NZ-OE1 3.33Å; K269-E272 PolarHBondContact NZ-OE1 2.75Å; K269-E272 IonicContact NZ-OE2 3.19Å; K269-E272 PolarHBondContact NZ-OE2 3.45Å | ||
| 270 | M | 31.4 | Very low | 48.5 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 87% | 0.867 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -133.7 | 17.6 | 173.7 | -87.7 | -68.9 | 175.4 | 0 | 0 | 113.1 | ||
| 271 | N | 31.4 | Very low | 51 | Low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -124.4 | 11.9 | -174.6 | -88.7 | 4.9 | 0 | 0 | 0 | 114.6 | ||
| 272 | E | 43 | Very low | 54.1 | Low | 130 Ų | 130 | 117 Ų | 117 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -102.8 | 17.3 | -178.5 | -69.7 | 175.4 | 156.9 | 0 | 0 | 113.7 | K269 | K269-E272 IonicContact NZ-OE1 3.33Å; K269-E272 PolarHBondContact NZ-OE1 2.75Å; K269-E272 IonicContact NZ-OE2 3.19Å; K269-E272 PolarHBondContact NZ-OE2 3.45Å |
| 273 | L | 49.4 | Very low | 56.9 | Low | 132 Ų | 132 | 113 Ų | 113 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -116.1 | 2.2 | -172.3 | -98.5 | 153.5 | 0 | 0 | 0 | 114.7 | ||
| 274 | S | 54.4 | Low | 58.9 | Low | 90 Ų | 90 | 109.8 Ų | 109.8 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -74.7 | -34.6 | -179.2 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 275 | D | 74.2 | Confident | 61.5 | Low | 147 Ų | 147 | 103.1 Ų | 103.1 | 79% | 0.786 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -99.8 | 0.4 | -160.1 | -64.6 | 15.1 | 0 | 0 | 0 | 113.5 | ||
| 276 | K | 81.7 | Confident | 64 | Low | 91 Ų | 91 | 105 Ų | 105 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -88.2 | 141 | 178.5 | -63.9 | -166.8 | 172.6 | -155.2 | 0 | 111.1 | A128 R129 K278 | A128-K276 WeakPolarHBondContact O-CD 3.45Å; A128-K276 WeakPolarHBondContact O-CE 3.35Å; A128-K276 PolarHBondContact O-NZ 3.43Å; R129-K276 HydrophobicContact CG-CD 4.3Å; K276-K278 PolarHBondContact O-N 2.81Å |
| 277 | P | 89.1 | Confident | 66 | Low | 56 Ų | 56 | 100.8 Ų | 100.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 134.1 | 174 | -28.5 | 34.8 | 0 | 0 | 0 | 112 | A124 A128 R129 | A124-P277 HydrophobicContact CB-CB 4.24Å; A124-P277 HydrophobicContact CB-CG 4.25Å; A128-P277 HydrophobicContact CB-CG 4.22Å; R129-P277 VanDerWaalsContact CZ-O 3.25Å; R129-P277 PolarHBondContact NH1-O 3.32Å; R129-P277 PolarHBondContact NH2-O 3.32Å |
| 278 | K | 88.9 | Confident | 67.6 | Low | 183 Ų | 183 | 94.4 Ų | 94.4 | 80% | 0.796 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 142.8 | 176.3 | -67.4 | 179.5 | -179.5 | 175.9 | 0 | 109 | K276 | K276-K278 PolarHBondContact O-N 2.81Š|
| 279 | F | 91.2 | Very high | 68.3 | Low | 27 Ų | 27 | 94.8 Ų | 94.8 | 12% | 0.118 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 141.6 | 169.5 | -78 | -81.8 | 0 | 0 | 0 | 110.3 | L122 A125 I126 L235 L236 N239 F282 | L122-F279 HydrophobicContact CD1-CD1 4.04Å; L122-F279 HydrophobicContact CD1-CE1 4.25Å; A125-F279 HydrophobicContact CB-CB 4.43Å; A125-F279 HydrophobicContact CB-CD1 3.45Å; A125-F279 VanDerWaalsContact CB-CD1 3.45Å; A125-F279 HydrophobicContact CB-CD2 4.09Å; A125-F279 HydrophobicContact CB-CE1 3.53Å; A125-F279 HydrophobicContact CB-CE2 4.17Å; A125-F279 HydrophobicContact CB-CG 3.75Å; A125-F279 HydrophobicContact CB-CZ 3.89Å; A125-F279 WeakPolarHBondContact O-CZ 3.28Å; I126-F279 HydrophobicContact CG1-CE1 4.04Å; L235-F279 HydrophobicContact CD1-CE2 4.05Å; L235-F279 HydrophobicContact CD1-CZ 3.96Å; L235-F279 HydrophobicContact CD2-CZ 4Å; L235-F279 HydrophobicContact CG-CE2 4.38Å; L235-F279 HydrophobicContact CG-CZ 3.79Å; L236-F279 HydrophobicContact CD2-CD1 4.39Å; L236-F279 HydrophobicContact CD2-CE1 3.93Å; N239-F279 HydrophobicContact CB-CB 4.33Å; N239-F279 HydrophobicContact CB-CD2 3.65Å; N239-F279 HydrophobicContact CB-CE2 4.08Å; N239-F279 HydrophobicContact CB-CG 3.94Å; N239-F279 VanDerWaalsContact CG-CE2 3.49Å; N239-F279 WeakPolarHBondContact OD1-CD2 3.45Å; F279-F282 HydrophobicContact CB-CE1 4.16Å; F279-F282 AromaticContact CD1-CE1 3.97Å; F279-F282 HydrophobicContact CD1-CE1 3.97Å; F279-F282 HydrophobicContact CG-CE1 4.31Å |
| 280 | P | 91.7 | Very high | 69.1 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 12% | 0.117 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 159.1 | 165.2 | 30.3 | -34.2 | 0 | 0 | 0 | 109.4 | F118 D121 L122 F282 | F118-P280 HydrophobicContact CD2-CB 3.78Å; F118-P280 HydrophobicContact CD2-CG 4.16Å; F118-P280 HydrophobicContact CE1-CG 4.36Å; F118-P280 HydrophobicContact CE2-CB 3.73Å; F118-P280 HydrophobicContact CE2-CG 3.96Å; F118-P280 HydrophobicContact CG-CB 4.43Å; F118-P280 HydrophobicContact CG-CG 4.45Å; F118-P280 HydrophobicContact CZ-CB 4.36Å; F118-P280 HydrophobicContact CZ-CG 4.08Å; D121-P280 HydrophobicContact CB-CB 4.2Å; D121-P280 HydrophobicContact CB-CG 4.06Å; L122-P280 HydrophobicContact CB-CG 4.12Å; P280-F282 VanDerWaalsContact O-CD1 3.23Å; P280-F282 WeakPolarHBondContact O-CD1 3.36Å; P280-F282 PolarHBondContact O-N 3.29Å |
| 281 | K | 88.8 | Confident | 69.8 | Low | 159 Ų | 159 | 84 Ų | 84 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 120.7 | 178.9 | -65.5 | -173.3 | 177.9 | -176.8 | 0 | 110.3 | F300 | K281-F300 HydrophobicContact CB-CD2 3.89Å; K281-F300 HydrophobicContact CB-CE2 3.61Å; K281-F300 HydrophobicContact CB-CZ 4.42Å; K281-F300 WeakPolarHBondContact O-CD2 3.47Å |
| 282 | F | 91.4 | Very high | 70.8 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 165.5 | 174.9 | 61.8 | -96.9 | 0 | 0 | 0 | 112.3 | F118 L122 L236 N239 A240 C241 F279 P280 V285 L297 T298 | F118-F282 HydrophobicContact CZ-CB 4.03Å; L122-F282 HydrophobicContact CD1-CE1 4.43Å; L236-F282 HydrophobicContact CB-CE2 4.32Å; L236-F282 HydrophobicContact CB-CZ 4.15Å; L236-F282 HydrophobicContact CD2-CE1 4.14Å; L236-F282 HydrophobicContact CD2-CE2 4.48Å; L236-F282 HydrophobicContact CD2-CZ 3.77Å; L236-F282 WeakPolarHBondContact O-CE2 3.36Å; L236-F282 WeakPolarHBondContact O-CZ 3.33Å; N239-F282 HydrophobicContact CB-CE1 4.5Å; N239-F282 HydrophobicContact CB-CZ 4.12Å; A240-F282 HydrophobicContact CB-CD2 4.2Å; A240-F282 HydrophobicContact CB-CE2 3.74Å; C241-F282 WeakPolarHBondContact CB-O 3.42Å; C241-F282 PolarHBondContact N-O 3.08Å; F279-F282 HydrophobicContact CB-CE1 4.16Å; F279-F282 AromaticContact CD1-CE1 3.97Å; F279-F282 HydrophobicContact CD1-CE1 3.97Å; F279-F282 HydrophobicContact CG-CE1 4.31Å; P280-F282 VanDerWaalsContact O-CD1 3.23Å; P280-F282 WeakPolarHBondContact O-CD1 3.36Å; P280-F282 PolarHBondContact O-N 3.29Å; F282-V285 HydrophobicContact CD2-CG2 4.27Å; F282-V285 HydrophobicContact CE2-CG2 3.68Å; F282-L297 HydrophobicContact CB-CD1 4.06Å; F282-L297 HydrophobicContact CD1-CD2 4.4Å; F282-L297 HydrophobicContact CD2-CB 4.24Å; F282-L297 HydrophobicContact CD2-CD2 4.13Å; F282-L297 HydrophobicContact CE2-CD2 4.27Å; F282-L297 HydrophobicContact CG-CD1 4.32Å; F282-L297 HydrophobicContact CG-CD2 4.21Å; F282-L297 HydrophobicContact CZ-CD2 4.49Å; F282-T298 WeakPolarHBondContact CB-O 3.21Å |
| 283 | H | 84.2 | Confident | 71.9 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 22% | 0.218 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 161.8 | 175.2 | 75.4 | 86.4 | 0 | 0 | 0 | 111.6 | T298 D299 | H283-T298 PolarHBondContact CD2-O 3.4Å; H283-T298 PolarHBondContact N-O 3.46Å; H283-T298 WeakPolarHBondContact NE2-CB 3.35Å; H283-T298 WeakPolarHBondContact NE2-CG2 3.43Å; H283-T298 PolarHBondContact O-N 3.16Å; H283-D299 PolarHBondContact CD2-O 3.28Å; H283-D299 PolarHBondContact NE2-O 2.77Å |
| 284 | T | 71.4 | Confident | 73.3 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43 | 89.3 | 168.1 | -43.6 | 0 | 0 | 0 | 0 | 115.6 | L286 | T284-L286 HydrophobicContact CG2-CD2 4.03Å; T284-L286 HydrophobicContact CG2-CG 4.14Å |
| 285 | V | 82.4 | Confident | 74.7 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.5 | 168.4 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | F233 L236 A240 F282 C296 L297 | F233-V285 HydrophobicContact CD2-CG1 3.71Å; F233-V285 HydrophobicContact CE2-CB 4.48Å; F233-V285 HydrophobicContact CE2-CG1 3.86Å; L236-V285 HydrophobicContact CB-CG1 4.13Å; L236-V285 HydrophobicContact CB-CG2 3.77Å; A240-V285 HydrophobicContact CB-CG2 4.25Å; F282-V285 HydrophobicContact CD2-CG2 4.27Å; F282-V285 HydrophobicContact CE2-CG2 3.68Å; V285-C296 CarbonylContact C-O 3.56Å; V285-C296 WeakPolarHBondContact CA-O 3.34Å; V285-L297 HydrophobicContact CG2-CB 4.42Å |
| 286 | L | 79.1 | Confident | 75.4 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.6 | 176.7 | -60.3 | 176.1 | 0 | 0 | 0 | 109.5 | T284 L295 C296 | T284-L286 HydrophobicContact CG2-CD2 4.03Å; T284-L286 HydrophobicContact CG2-CG 4.14Å; L286-L295 CarbonylContact O-C 3.53Å; L286-L295 WeakPolarHBondContact O-CA 3.4Å; L286-C296 PolarHBondContact N-O 2.92Å; L286-C296 PolarHBondContact O-N 3.47Å |
| 287 | R | 74.2 | Confident | 75.9 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.2 | 170.8 | -177.9 | 178.8 | -170.1 | 158.4 | 6.7 | 107.8 | S230 F233 L295 | S230-R287 PolarHBondContact OG-NH1 2.96Å; F233-R287 HydrophobicContact CD2-CB 4.01Å; F233-R287 HydrophobicContact CE2-CB 3.96Å; R287-L295 HydrophobicContact CB-CD2 4.04Å; R287-L295 HydrophobicContact CG-CD2 3.91Å |
| 288 | T | 61.6 | Low | 75.9 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | trans | -74.4 | 155 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | Y292 Y294 | T288-Y292 WeakPolarHBondContact CB-O 3.48Å; T288-Y292 PolarHBondContact OG1-O 3.37Å; T288-Y294 HydrophobicContact CG2-CD1 3.98Å; T288-Y294 HydrophobicContact CG2-CD2 3.83Å; T288-Y294 HydrophobicContact CG2-CE1 3.63Å; T288-Y294 HydrophobicContact CG2-CE2 3.47Å; T288-Y294 VanDerWaalsContact CG2-CE2 3.47Å; T288-Y294 HydrophobicContact CG2-CG 4.07Å; T288-Y294 PolarHBondContact N-O 3.41Å; T288-Y294 VanDerWaalsContact N-O 3.08Å; T288-Y294 PolarHBondContact OG1-N 2.88Å; T288-Y294 PolarHBondContact OG1-O 2.74Å | ||
| 289 | S | 42.9 | Very low | 76 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 86% | 0.86 | 27% | 0.271 | S | S | * | . | trans | -124.9 | 108.9 | 170.8 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 290 | G | 49.7 | Very low | 75.8 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 144.4 | -166 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y292 | G290-Y292 PolarHBondContact O-N 2.83Š|
| 291 | D | 44.4 | Very low | 75.5 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -61.7 | -15.8 | -169 | -46 | -47.1 | 0 | 0 | 0 | 114.9 | S1081 | D291-S1081 VanDerWaalsContact OD1-CB 3.25Å; D291-S1081 WeakPolarHBondContact OD1-CB 3.44Å; D291-S1081 WeakPolarHBondContact OD2-CB 3.37Å; D291-S1081 PolarHBondContact OD2-N 2.84Å; D291-S1081 PolarHBondContact OD2-OG 3.23Å |
| 292 | Y | 53.1 | Low | 75.3 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 45% | 0.451 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -119.2 | 102.6 | 179.5 | -58.2 | -84 | 0 | 0 | 0 | 110.2 | T288 G290 Y294 E351 | T288-Y292 WeakPolarHBondContact CB-O 3.48Å; T288-Y292 PolarHBondContact OG1-O 3.37Å; G290-Y292 PolarHBondContact O-N 2.83Å; Y292-Y294 WeakPolarHBondContact O-CD1 3.46Å; Y292-Y294 PolarHBondContact O-N 2.85Å; Y292-E351 HydrophobicContact CE2-CB 4.25Å |
| 293 | F | 66.9 | Low | 75.2 | Confident | 97 Ų | 97 | 59.7 Ų | 59.7 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | trans | -89.5 | 102.9 | -173.7 | -145.8 | -107.9 | 0 | 0 | 0 | 111.2 | L229 | L229-F293 HydrophobicContact CD1-CD1 3.82Š| ||
| 294 | Y | 78.6 | Confident | 75.6 | Confident | 52 Ų | 52 | 63 Ų | 63 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | trans | -145.7 | 159.7 | 177.8 | 62.5 | -96.7 | 0 | 0 | 0 | 112.3 | T288 Y292 C296 R306 I307 | T288-Y294 HydrophobicContact CG2-CD1 3.98Å; T288-Y294 HydrophobicContact CG2-CD2 3.83Å; T288-Y294 HydrophobicContact CG2-CE1 3.63Å; T288-Y294 HydrophobicContact CG2-CE2 3.47Å; T288-Y294 VanDerWaalsContact CG2-CE2 3.47Å; T288-Y294 HydrophobicContact CG2-CG 4.07Å; T288-Y294 PolarHBondContact N-O 3.41Å; T288-Y294 VanDerWaalsContact N-O 3.08Å; T288-Y294 PolarHBondContact OG1-N 2.88Å; T288-Y294 PolarHBondContact OG1-O 2.74Å; Y292-Y294 WeakPolarHBondContact O-CD1 3.46Å; Y292-Y294 PolarHBondContact O-N 2.85Å; Y294-C296 HydrophobicContact CD2-CB 4.4Å; Y294-C296 HydrophobicContact CE2-CB 4.27Å; Y294-R306 HydrophobicContact CD2-CG 3.66Å; Y294-R306 HydrophobicContact CE2-CG 4.22Å; Y294-R306 HydrophobicContact CG-CG 3.84Å; Y294-R306 PolarHBondContact OH-NH2 2.86Å; Y294-I307 CarbonylContact C-O 3.58Å; Y294-I307 VanDerWaalsContact CA-O 3.31Å; Y294-I307 WeakPolarHBondContact CA-O 3.17Å; Y294-I307 WeakPolarHBondContact CB-O 3.45Å | ||
| 295 | L | 84.2 | Confident | 76.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 146.9 | 166.9 | -48.4 | 179.6 | 0 | 0 | 0 | 109.3 | L229 I232 F233 L236 L286 R287 R306 I307 | L229-L295 HydrophobicContact CD2-CD1 4.25Å; L229-L295 HydrophobicContact CD2-CG 4.12Å; L229-L295 WeakPolarHBondContact O-CD1 3.35Å; I232-L295 HydrophobicContact CB-CD1 3.82Å; I232-L295 HydrophobicContact CG2-CD1 3.55Å; F233-L295 HydrophobicContact CB-CD1 3.96Å; F233-L295 HydrophobicContact CB-CD2 3.85Å; F233-L295 HydrophobicContact CD2-CD2 4Å; F233-L295 HydrophobicContact CG-CD2 4.31Å; L236-L295 HydrophobicContact CD1-CD1 4.31Å; L286-L295 CarbonylContact O-C 3.53Å; L286-L295 WeakPolarHBondContact O-CA 3.4Å; R287-L295 HydrophobicContact CB-CD2 4.04Å; R287-L295 HydrophobicContact CG-CD2 3.91Å; L295-R306 CarbonylContact O-C 3.58Å; L295-R306 WeakPolarHBondContact O-CA 3.38Å; L295-I307 HydrophobicContact CB-CB 4.3Å; L295-I307 PolarHBondContact N-O 3.18Å; L295-I307 PolarHBondContact O-N 2.92Å |
| 296 | C | 87.6 | Confident | 77 | Confident | 21 Ų | 21 | 62 Ų | 62 | 14% | 0.142 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.3 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | V285 L286 Y294 Y305 | V285-C296 CarbonylContact C-O 3.56Å; V285-C296 WeakPolarHBondContact CA-O 3.34Å; L286-C296 PolarHBondContact N-O 2.92Å; L286-C296 PolarHBondContact O-N 3.47Å; Y294-C296 HydrophobicContact CD2-CB 4.4Å; Y294-C296 HydrophobicContact CE2-CB 4.27Å; C296-Y305 VanDerWaalsContact CA-O 3.3Å; C296-Y305 WeakPolarHBondContact CA-O 3.47Å |
| 297 | L | 91.6 | Very high | 77.5 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 165 | 167.2 | 64.3 | 78.1 | 0 | 0 | 0 | 109.6 | F118 L122 L236 F282 V285 R304 Y305 | F118-L297 HydrophobicContact CE1-CD1 3.99Å; F118-L297 HydrophobicContact CZ-CD1 4.12Å; L122-L297 HydrophobicContact CD1-CD2 4.05Å; L122-L297 HydrophobicContact CD2-CD1 4.39Å; L122-L297 HydrophobicContact CD2-CD2 3.93Å; L236-L297 HydrophobicContact CD1-CD2 3.91Å; L236-L297 HydrophobicContact CD2-CD2 3.89Å; L236-L297 HydrophobicContact CG-CD2 4.43Å; F282-L297 HydrophobicContact CB-CD1 4.06Å; F282-L297 HydrophobicContact CD1-CD2 4.4Å; F282-L297 HydrophobicContact CD2-CB 4.24Å; F282-L297 HydrophobicContact CD2-CD2 4.13Å; F282-L297 HydrophobicContact CE2-CD2 4.27Å; F282-L297 HydrophobicContact CG-CD1 4.32Å; F282-L297 HydrophobicContact CG-CD2 4.21Å; F282-L297 HydrophobicContact CZ-CD2 4.49Å; V285-L297 HydrophobicContact CG2-CB 4.42Å; L297-R304 WeakPolarHBondContact O-CA 3.38Å; L297-Y305 HydrophobicContact CD1-CD2 3.86Å; L297-Y305 HydrophobicContact CD1-CG 4.03Å; L297-Y305 PolarHBondContact N-O 3.12Å; L297-Y305 PolarHBondContact O-N 3.1Å |
| 298 | T | 90.3 | Very high | 77.9 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 14% | 0.135 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 139 | -178 | -48.9 | 0 | 0 | 0 | 0 | 111 | F282 H283 G302 V303 | F282-T298 WeakPolarHBondContact CB-O 3.21Å; H283-T298 PolarHBondContact CD2-O 3.4Å; H283-T298 PolarHBondContact N-O 3.46Å; H283-T298 WeakPolarHBondContact NE2-CB 3.35Å; H283-T298 WeakPolarHBondContact NE2-CG2 3.43Å; H283-T298 PolarHBondContact O-N 3.16Å; T298-G302 VanDerWaalsContact CG2-C 3.44Å; T298-V303 WeakPolarHBondContact CA-O 3.25Å; T298-V303 WeakPolarHBondContact CG2-O 3.3Å |
| 299 | D | 90.6 | Very high | 78.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 175.5 | 176.5 | 75.5 | 12.4 | 0 | 0 | 0 | 112.9 | R114 F118 H283 Y301 G302 V303 Y305 | R114-D299 IonicContact CZ-OD2 2.73Å; R114-D299 IonicContact NH1-OD2 3.01Å; R114-D299 PolarHBondContact NH1-OD2 3.42Å; R114-D299 IonicContact NH2-OD2 3.24Å; R114-D299 PolarHBondContact NH2-OD2 3.33Å; F118-D299 HydrophobicContact CD2-CB 4.11Å; F118-D299 HydrophobicContact CE1-CB 4.37Å; F118-D299 HydrophobicContact CE2-CB 3.54Å; F118-D299 HydrophobicContact CZ-CB 3.69Å; H283-D299 PolarHBondContact CD2-O 3.28Å; H283-D299 PolarHBondContact NE2-O 2.77Å; D299-Y301 PolarHBondContact O-N 3.32Å; D299-Y301 VanDerWaalsContact O-N 3.1Å; D299-Y301 WeakPolarHBondContact OD1-CA 3.35Å; D299-Y301 WeakPolarHBondContact OD1-CB 3.43Å; D299-Y301 PolarHBondContact OD1-N 2.94Å; D299-G302 PolarHBondContact O-N 3.19Å; D299-G302 VanDerWaalsContact O-N 3.07Å; D299-G302 PolarHBondContact OD1-N 2.97Å; D299-V303 PolarHBondContact N-O 3.31Å; D299-V303 PolarHBondContact OD1-N 3.06Å; D299-Y305 HydrophobicContact CB-CE2 3.82Å; D299-Y305 PolarHBondContact OD2-OH 2.99Å |
| 300 | F | 86.4 | Confident | 79.8 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1.5 | 180 | -82.7 | -105.8 | 0 | 0 | 0 | 114.7 | C241 K281 | C241-F300 HydrophobicContact CB-CZ 4.21Å; K281-F300 HydrophobicContact CB-CD2 3.89Å; K281-F300 HydrophobicContact CB-CE2 3.61Å; K281-F300 HydrophobicContact CB-CZ 4.42Å; K281-F300 WeakPolarHBondContact O-CD2 3.47Å |
| 301 | Y | 86.6 | Confident | 81 | Confident | 177 Ų | 177 | 49.9 Ų | 49.9 | 69% | 0.694 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 1.2 | 173.5 | -59.2 | -86.3 | 0 | 0 | 0 | 112.2 | D299 | D299-Y301 PolarHBondContact O-N 3.32Å; D299-Y301 VanDerWaalsContact O-N 3.1Å; D299-Y301 WeakPolarHBondContact OD1-CA 3.35Å; D299-Y301 WeakPolarHBondContact OD1-CB 3.43Å; D299-Y301 PolarHBondContact OD1-N 2.94Å |
| 302 | G | 84.9 | Confident | 82.5 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 50% | 0.495 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 85.8 | 5.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T298 D299 | T298-G302 VanDerWaalsContact CG2-C 3.44Å; D299-G302 PolarHBondContact O-N 3.19Å; D299-G302 VanDerWaalsContact O-N 3.07Å; D299-G302 PolarHBondContact OD1-N 2.97Å |
| 303 | V | 89.2 | Confident | 84.1 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | trans | -78.8 | 130 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 110 | R114 R115 T298 D299 Y305 | R114-V303 VanDerWaalsContact NH2-CG2 3.29Å; R115-V303 HydrophobicContact CG-CG1 4.21Å; T298-V303 WeakPolarHBondContact CA-O 3.25Å; T298-V303 WeakPolarHBondContact CG2-O 3.3Å; D299-V303 PolarHBondContact N-O 3.31Å; D299-V303 PolarHBondContact OD1-N 3.06Å; V303-Y305 HydrophobicContact CB-CE2 4.07Å; V303-Y305 HydrophobicContact CG1-CE2 3.99Å; V303-Y305 WeakPolarHBondContact O-CD2 3.32Å; V303-Y305 VanDerWaalsContact O-CE2 3.31Å; V303-Y305 WeakPolarHBondContact O-CE2 3.49Å | ||
| 304 | R | 91 | Very high | 85.1 | Confident | 118 Ų | 118 | 40.5 Ų | 40.5 | 45% | 0.445 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.4 | -179.9 | -66.5 | 179.4 | -66.7 | 161.8 | -0.1 | 110.7 | H151 C152 L297 | H151-R304 CarbonylContact C-O 3.42Å; H151-R304 VanDerWaalsContact CA-O 3.27Å; H151-R304 WeakPolarHBondContact CA-O 3.34Å; H151-R304 HydrophobicContact CB-CB 4.18Å; H151-R304 WeakPolarHBondContact CB-O 3.43Å; C152-R304 PolarHBondContact N-O 3.05Å; L297-R304 WeakPolarHBondContact O-CA 3.38Å |
| 305 | Y | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.4 | 173.4 | -62.4 | -101.8 | 0 | 0 | 0 | 108.2 | F118 A119 C152 C296 L297 D299 V303 | F118-Y305 HydrophobicContact CB-CE1 4.46Å; F118-Y305 AromaticContact CD1-CD1 3.85Å; F118-Y305 HydrophobicContact CD1-CD1 3.85Å; F118-Y305 HydrophobicContact CD1-CD2 4.11Å; F118-Y305 AromaticContact CD1-CE1 3.34Å; F118-Y305 HydrophobicContact CD1-CE1 3.34Å; F118-Y305 AromaticContact CD1-CE2 3.65Å; F118-Y305 HydrophobicContact CD1-CE2 3.65Å; F118-Y305 HydrophobicContact CD1-CG 4.23Å; F118-Y305 AromaticContact CD1-CZ 3.23Å; F118-Y305 AromaticContact CE1-CD1 3.99Å; F118-Y305 HydrophobicContact CE1-CD1 3.99Å; F118-Y305 AromaticContact CE1-CD2 3.65Å; F118-Y305 HydrophobicContact CE1-CD2 3.65Å; F118-Y305 AromaticContact CE1-CE1 3.87Å; F118-Y305 HydrophobicContact CE1-CE1 3.87Å; F118-Y305 AromaticContact CE1-CE2 3.53Å; F118-Y305 HydrophobicContact CE1-CE2 3.53Å; F118-Y305 AromaticContact CE1-CG 3.9Å; F118-Y305 HydrophobicContact CE1-CG 3.9Å; F118-Y305 AromaticContact CE1-CZ 3.65Å; F118-Y305 HydrophobicContact CG-CE1 4.23Å; F118-Y305 HydrophobicContact CG-CE2 4.38Å; F118-Y305 AromaticContact CG-CZ 3.86Å; F118-Y305 HydrophobicContact CZ-CD2 4.38Å; F118-Y305 HydrophobicContact CZ-CE2 4.17Å; A119-Y305 HydrophobicContact CB-CD1 4.47Å; A119-Y305 HydrophobicContact CB-CE1 4.26Å; C152-Y305 HydrophobicContact CB-CD1 3.46Å; C152-Y305 VanDerWaalsContact CB-CD1 3.46Å; C152-Y305 HydrophobicContact CB-CE1 3.61Å; C152-Y305 HydrophobicContact CB-CG 4.17Å; C152-Y305 CarbonylContact O-C 3.55Å; C152-Y305 WeakPolarHBondContact O-CA 3.43Å; C296-Y305 VanDerWaalsContact CA-O 3.3Å; C296-Y305 WeakPolarHBondContact CA-O 3.47Å; L297-Y305 HydrophobicContact CD1-CD2 3.86Å; L297-Y305 HydrophobicContact CD1-CG 4.03Å; L297-Y305 PolarHBondContact N-O 3.12Å; L297-Y305 PolarHBondContact O-N 3.1Å; D299-Y305 HydrophobicContact CB-CE2 3.82Å; D299-Y305 PolarHBondContact OD2-OH 2.99Å; V303-Y305 HydrophobicContact CB-CE2 4.07Å; V303-Y305 HydrophobicContact CG1-CE2 3.99Å; V303-Y305 WeakPolarHBondContact O-CD2 3.32Å; V303-Y305 VanDerWaalsContact O-CE2 3.31Å; V303-Y305 WeakPolarHBondContact O-CE2 3.49Å |
| 306 | R | 90.7 | Very high | 86.1 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 18% | 0.181 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.1 | -177.4 | 175.2 | 179 | -84.2 | 170.2 | -11.6 | 108.6 | H151 C152 S153 L154 Y294 L295 | H151-R306 PolarHBondContact CE1-NH1 3.27Å; H151-R306 VanDerWaalsContact CE1-NH1 3.31Å; H151-R306 PolarHBondContact NE2-NH1 2.99Å; C152-R306 PolarHBondContact O-N 3.11Å; S153-R306 WeakPolarHBondContact CA-O 3.35Å; L154-R306 PolarHBondContact N-O 3.12Å; Y294-R306 HydrophobicContact CD2-CG 3.66Å; Y294-R306 HydrophobicContact CE2-CG 4.22Å; Y294-R306 HydrophobicContact CG-CG 3.84Å; Y294-R306 PolarHBondContact OH-NH2 2.86Å; L295-R306 CarbonylContact O-C 3.58Å; L295-R306 WeakPolarHBondContact O-CA 3.38Å |
| 307 | I | 89.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.6 | 174.9 | -51.3 | 174.2 | 0 | 0 | 0 | 108.7 | I126 L154 A156 L229 I232 L236 Y294 L295 | I126-I307 HydrophobicContact CD1-CD1 4.1Å; L154-I307 HydrophobicContact CB-CG1 4.23Å; L154-I307 HydrophobicContact CD1-CG1 4.13Å; L154-I307 CarbonylContact O-C 3.52Å; L154-I307 WeakPolarHBondContact O-CA 3.18Å; A156-I307 HydrophobicContact CB-CG2 4.29Å; L229-I307 HydrophobicContact CD2-CG2 4.13Å; I232-I307 HydrophobicContact CD1-CG2 4.29Å; I232-I307 HydrophobicContact CG2-CD1 4Å; L236-I307 HydrophobicContact CD1-CD1 3.8Å; Y294-I307 CarbonylContact C-O 3.58Å; Y294-I307 VanDerWaalsContact CA-O 3.31Å; Y294-I307 WeakPolarHBondContact CA-O 3.17Å; Y294-I307 WeakPolarHBondContact CB-O 3.45Å; L295-I307 HydrophobicContact CB-CB 4.3Å; L295-I307 PolarHBondContact N-O 3.18Å; L295-I307 PolarHBondContact O-N 2.92Å |
| 308 | S | 82.9 | Confident | 86.6 | Confident | 31 Ų | 31 | 41.4 Ų | 41.4 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 179.5 | 174 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | L154 D155 A156 | L154-S308 PolarHBondContact O-N 2.86Å; L154-S308 PolarHBondContact O-OG 3.33Å; D155-S308 WeakPolarHBondContact OD1-CB 3.33Å; D155-S308 PolarHBondContact OD1-OG 3.06Å; A156-S308 PolarHBondContact N-O 3.15Å |
| 309 | T | 75.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -139.2 | 134.3 | 164.7 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | D155 A156 I225 L229 | D155-T309 VanDerWaalsContact OD1-CA 3.3Å; D155-T309 WeakPolarHBondContact OD1-CA 3.34Å; D155-T309 PolarHBondContact OD1-N 3.02Å; A156-T309 HydrophobicContact CB-CG2 3.84Å; A156-T309 WeakPolarHBondContact O-CG2 3.23Å; I225-T309 HydrophobicContact CD1-CG2 4.27Å; I225-T309 HydrophobicContact CG1-CG2 3.98Å; I225-T309 WeakPolarHBondContact CG1-OG1 3.41Å; L229-T309 HydrophobicContact CD1-CG2 3.85Å; L229-T309 WeakPolarHBondContact CD1-OG1 3.5Å; L229-T309 HydrophobicContact CD2-CG2 3.89Å; L229-T309 HydrophobicContact CG-CG2 3.59Å |
| 310 | G | 67.8 | Low | 87.1 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 38% | 0.381 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 129.8 | 0.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D155 P312 | D155-G310 PolarHBondContact OD1-N 2.89Å; D155-G310 PolarHBondContact OD2-N 2.93Å; G310-P312 VanDerWaalsContact C-CD 3.46Å; G310-P312 VanDerWaalsContact O-CD 3.26Å; G310-P312 WeakPolarHBondContact O-CD 3.21Å |
| 311 | N | 75.3 | Confident | 87.6 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | trans | -114.2 | 75.8 | 172.5 | -168.6 | -11.5 | 0 | 0 | 0 | 110.8 | D155 Y313 G314 | D155-N311 PolarHBondContact OD2-N 3.49Å; N311-Y313 PolarHBondContact O-N 3.23Å; N311-G314 PolarHBondContact O-N 3.47Å; N311-G314 VanDerWaalsContact O-N 3.11Å; N311-G314 VanDerWaalsContact OD1-CA 3.3Å; N311-G314 WeakPolarHBondContact OD1-CA 3.3Å; N311-G314 PolarHBondContact OD1-N 2.91Å | ||
| 312 | P | 75.6 | Confident | 88 | Confident | 29 Ų | 29 | 31.6 Ų | 31.6 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.8 | -175.4 | 25.8 | -35.7 | 0 | 0 | 0 | 113.4 | F162 G310 | F162-P312 HydrophobicContact CE1-CB 3.73Å; F162-P312 HydrophobicContact CE1-CG 3.88Å; F162-P312 HydrophobicContact CZ-CB 3.9Å; F162-P312 HydrophobicContact CZ-CG 4.49Å; G310-P312 VanDerWaalsContact C-CD 3.46Å; G310-P312 VanDerWaalsContact O-CD 3.26Å; G310-P312 WeakPolarHBondContact O-CD 3.21Å |
| 313 | Y | 87.8 | Confident | 88.5 | Confident | 48 Ų | 48 | 29.8 Ų | 29.8 | 19% | 0.188 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.3 | -179 | -53.1 | -61.3 | 0 | 0 | 0 | 113.2 | N311 Y315 D316 L317 V398 P400 F480 | N311-Y313 PolarHBondContact O-N 3.23Å; Y313-Y315 PolarHBondContact O-N 3.28Å; Y313-Y315 VanDerWaalsContact O-N 3.13Å; Y313-D316 WeakPolarHBondContact O-CA 3.31Å; Y313-D316 PolarHBondContact O-N 3.49Å; Y313-L317 PolarHBondContact O-N 3.48Å; Y313-V398 HydrophobicContact CD1-CG1 4.07Å; Y313-V398 HydrophobicContact CE1-CG1 4.33Å; Y313-P400 HydrophobicContact CE1-CG 4.4Å; Y313-F480 HydrophobicContact CD1-CB 4.24Å; Y313-F480 HydrophobicContact CD2-CB 3.76Å; Y313-F480 HydrophobicContact CG-CB 3.6Å; Y313-F480 HydrophobicContact CG-CG 4.4Å |
| 314 | G | 87.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -24 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | T138 N311 A318 | T138-G314 WeakPolarHBondContact CB-O 3.19Å; T138-G314 WeakPolarHBondContact OG1-CA 3.42Å; T138-G314 PolarHBondContact OG1-O 3.45Å; N311-G314 PolarHBondContact O-N 3.47Å; N311-G314 VanDerWaalsContact O-N 3.11Å; N311-G314 VanDerWaalsContact OD1-CA 3.3Å; N311-G314 WeakPolarHBondContact OD1-CA 3.3Å; N311-G314 PolarHBondContact OD1-N 2.91Å; G314-A318 WeakPolarHBondContact O-CB 3.41Å; G314-A318 PolarHBondContact O-N 2.71Å |
| 315 | Y | 90.8 | Very high | 89 | Confident | 77 Ų | 77 | 23.6 Ų | 23.6 | 30% | 0.302 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -74.3 | -42.2 | 170.1 | 173.4 | -96.6 | 0 | 0 | 0 | 112.1 | R136 G137 Y313 A318 K319 | R136-Y315 HydrophobicContact CB-CG 4.45Å; G137-Y315 VanDerWaalsContact O-CA 3.31Å; G137-Y315 WeakPolarHBondContact O-CA 3.38Å; G137-Y315 WeakPolarHBondContact O-CB 3.45Å; Y313-Y315 PolarHBondContact O-N 3.28Å; Y313-Y315 VanDerWaalsContact O-N 3.13Å; Y315-A318 PolarHBondContact O-N 3.37Å; Y315-K319 WeakPolarHBondContact O-CB 3.3Å; Y315-K319 PolarHBondContact O-N 3.44Å |
| 316 | D | 93.5 | Very high | 88.9 | Confident | 15 Ų | 15 | 27.1 Ų | 27.1 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | -178.3 | -51.3 | -65.3 | 0 | 0 | 0 | 110.6 | Y313 K319 L320 H396 V398 F480 | Y313-D316 WeakPolarHBondContact O-CA 3.31Å; Y313-D316 PolarHBondContact O-N 3.49Å; D316-K319 PolarHBondContact O-N 2.98Å; D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.28Å; D316-H396 IonicContact OD1-CD2 3.25Å; D316-H396 IonicContact OD1-CE1 2.74Å; D316-H396 IonicContact OD1-NE2 3.19Å; D316-H396 PolarHBondContact OD1-NE2 3.26Å; D316-V398 HydrophobicContact CB-CG1 4.41Å; D316-V398 HydrophobicContact CB-CG2 4.09Å; D316-F480 HydrophobicContact CB-CE2 4.3Å; D316-F480 HydrophobicContact CB-CZ 4.34Å |
| 317 | L | 94 | Very high | 89 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 168.6 | -176.9 | 57.4 | 0 | 0 | 0 | 112.7 | Y313 K319 L320 I321 T358 L362 P479 F480 | Y313-L317 PolarHBondContact O-N 3.48Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 2.96Å; L317-L320 PolarHBondContact O-N 3.39Å; L317-I321 HydrophobicContact CD1-CD1 3.94Å; L317-I321 HydrophobicContact CD1-CG1 4.24Å; L317-I321 HydrophobicContact CG-CD1 3.95Å; L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.83Å; L317-T358 HydrophobicContact CD2-CG2 4.09Å; L317-L362 HydrophobicContact CD1-CD2 4.33Å; L317-P479 HydrophobicContact CD1-CG 3.85Å; L317-F480 HydrophobicContact CB-CD2 4.21Å; L317-F480 HydrophobicContact CB-CE2 4.15Å; L317-F480 HydrophobicContact CD1-CE2 4.41Å |
| 318 | A | 94.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W142 F143 G314 Y315 N322 | W142-A318 HydrophobicContact CB-CB 3.9Å; F143-A318 HydrophobicContact CB-CB 4.46Å; F143-A318 HydrophobicContact CD1-CB 4.11Å; G314-A318 WeakPolarHBondContact O-CB 3.41Å; G314-A318 PolarHBondContact O-N 2.71Å; Y315-A318 PolarHBondContact O-N 3.37Å; A318-N322 VanDerWaalsContact O-CB 3.23Å; A318-N322 WeakPolarHBondContact O-CB 3.19Å; A318-N322 PolarHBondContact O-N 3.23Å |
| 319 | K | 94.7 | Very high | 89.2 | Confident | 60 Ų | 60 | 27.9 Ų | 27.9 | 26% | 0.261 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.2 | -40.3 | 175.9 | -168.5 | -178.6 | 177.4 | -166.1 | 0 | 112.3 | Y315 D316 L317 N322 T323 H396 F407 | Y315-K319 WeakPolarHBondContact O-CB 3.3Å; Y315-K319 PolarHBondContact O-N 3.44Å; D316-K319 PolarHBondContact O-N 2.98Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 2.96Å; K319-N322 PolarHBondContact O-N 3.49Å; K319-T323 WeakPolarHBondContact O-CB 3.39Å; K319-T323 PolarHBondContact O-N 3.26Å; K319-T323 PolarHBondContact O-OG1 3.4Å; K319-H396 HydrophobicContact CD-CB 4.34Å; K319-H396 PolarHBondContact NZ-ND1 2.85Å; K319-F407 HydrophobicContact CB-CZ 4.43Å; K319-F407 HydrophobicContact CG-CZ 4.49Å |
| 320 | L | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -53 | 175.6 | 179.7 | 66 | 0 | 0 | 0 | 111 | D316 L317 N322 T323 Y324 L379 H380 F407 I457 P479 F480 | D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.28Å; L317-L320 PolarHBondContact O-N 3.39Å; L320-N322 VanDerWaalsContact C-N 3.34Å; L320-N322 PolarHBondContact O-N 3.25Å; L320-T323 WeakPolarHBondContact O-CB 3.48Å; L320-T323 PolarHBondContact O-N 2.76Å; L320-T323 VanDerWaalsContact O-N 3.14Å; L320-Y324 HydrophobicContact CD1-CD2 4.09Å; L320-Y324 HydrophobicContact CD1-CE2 3.63Å; L320-Y324 HydrophobicContact CG-CD2 4.09Å; L320-Y324 HydrophobicContact CG-CE2 3.9Å; L320-Y324 WeakPolarHBondContact O-CD2 3.4Å; L320-Y324 PolarHBondContact O-N 2.81Å; L320-L379 HydrophobicContact CD1-CD1 4.42Å; L320-H380 WeakPolarHBondContact CD2-NE2 3.33Å; L320-F407 HydrophobicContact CB-CE1 4.12Å; L320-F407 HydrophobicContact CB-CE2 3.98Å; L320-F407 HydrophobicContact CB-CZ 3.73Å; L320-F407 HydrophobicContact CD1-CB 4.1Å; L320-F407 HydrophobicContact CD1-CD1 3.95Å; L320-F407 HydrophobicContact CD1-CD2 3.54Å; L320-F407 HydrophobicContact CD1-CE1 4.19Å; L320-F407 HydrophobicContact CD1-CE2 3.8Å; L320-F407 HydrophobicContact CD1-CG 3.61Å; L320-F407 HydrophobicContact CD1-CZ 4.12Å; L320-I457 HydrophobicContact CD2-CD1 3.86Å; L320-P479 HydrophobicContact CD2-CB 3.92Å; L320-P479 HydrophobicContact CD2-CG 4.1Å; L320-F480 HydrophobicContact CB-CE2 4.35Å; L320-F480 HydrophobicContact CB-CZ 4.29Å; L320-F480 HydrophobicContact CD2-CE2 3.91Å; L320-F480 HydrophobicContact CD2-CZ 3.89Å |
| 321 | I | 97 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 177.5 | -65.2 | 163.1 | 0 | 0 | 0 | 110.2 | F143 L317 T323 Y324 L325 P361 L362 I365 | F143-I321 HydrophobicContact CB-CB 3.92Å; F143-I321 HydrophobicContact CB-CG2 3.72Å; F143-I321 HydrophobicContact CD1-CD1 4.12Å; F143-I321 HydrophobicContact CD2-CG2 4.05Å; F143-I321 HydrophobicContact CE1-CD1 4.3Å; F143-I321 HydrophobicContact CG-CB 4.31Å; F143-I321 HydrophobicContact CG-CD1 4.47Å; F143-I321 HydrophobicContact CG-CG2 3.94Å; L317-I321 HydrophobicContact CD1-CD1 3.94Å; L317-I321 HydrophobicContact CD1-CG1 4.24Å; L317-I321 HydrophobicContact CG-CD1 3.95Å; L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.83Å; I321-T323 VanDerWaalsContact C-N 3.27Å; I321-T323 PolarHBondContact O-N 2.95Å; I321-Y324 PolarHBondContact O-N 2.97Å; I321-Y324 VanDerWaalsContact O-N 3.16Å; I321-L325 HydrophobicContact CG2-CD1 3.76Å; I321-L325 HydrophobicContact CG2-CG 4.14Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 2.98Å; I321-P361 HydrophobicContact CD1-CG 3.99Å; I321-P361 HydrophobicContact CG1-CG 4.46Å; I321-P361 HydrophobicContact CG2-CB 3.6Å; I321-P361 HydrophobicContact CG2-CG 3.77Å; I321-L362 HydrophobicContact CD1-CD2 4.49Å; I321-L362 HydrophobicContact CD1-CG 4.49Å; I321-L362 HydrophobicContact CG1-CD2 4.3Å; I321-I365 HydrophobicContact CG1-CD1 4.29Å; I321-I365 HydrophobicContact CG2-CD1 4.35Å |
| 322 | N | 95.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 25.7 Ų | 25.7 | 31% | 0.31 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -59.8 | -37.3 | 178 | -168 | 66.8 | 0 | 0 | 0 | 112.3 | F143 A318 K319 L320 N326 | F143-N322 HydrophobicContact CB-CB 4.46Å; A318-N322 VanDerWaalsContact O-CB 3.23Å; A318-N322 WeakPolarHBondContact O-CB 3.19Å; A318-N322 PolarHBondContact O-N 3.23Å; K319-N322 PolarHBondContact O-N 3.49Å; L320-N322 VanDerWaalsContact C-N 3.34Å; L320-N322 PolarHBondContact O-N 3.25Å; N322-N326 PolarHBondContact ND2-ND2 3.34Å; N322-N326 WeakPolarHBondContact O-CB 3.39Å; N322-N326 PolarHBondContact O-N 2.94Å; N322-N326 VanDerWaalsContact O-N 3.1Å; N322-N326 PolarHBondContact O-ND2 3.1Å; N322-N326 PolarHBondContact OD1-ND2 3.16Å; N322-N326 VanDerWaalsContact OD1-ND2 3.16Å |
| 323 | T | 96.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | K319 L320 I321 L327 L379 T409 I414 | K319-T323 WeakPolarHBondContact O-CB 3.39Å; K319-T323 PolarHBondContact O-N 3.26Å; K319-T323 PolarHBondContact O-OG1 3.4Å; L320-T323 WeakPolarHBondContact O-CB 3.48Å; L320-T323 PolarHBondContact O-N 2.76Å; L320-T323 VanDerWaalsContact O-N 3.14Å; I321-T323 VanDerWaalsContact C-N 3.27Å; I321-T323 PolarHBondContact O-N 2.95Å; T323-L327 PolarHBondContact O-N 3.32Å; T323-L379 HydrophobicContact CG2-CD1 3.78Å; T323-T409 HydrophobicContact CG2-CG2 4.37Å; T323-I414 HydrophobicContact CG2-CD1 4.34Å |
| 324 | Y | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.5 | -82.8 | -66.6 | 0 | 0 | 0 | 113.1 | L320 I321 N326 L327 I365 Q369 L376 P377 L379 I457 | L320-Y324 HydrophobicContact CD1-CD2 4.09Å; L320-Y324 HydrophobicContact CD1-CE2 3.63Å; L320-Y324 HydrophobicContact CG-CD2 4.09Å; L320-Y324 HydrophobicContact CG-CE2 3.9Å; L320-Y324 WeakPolarHBondContact O-CD2 3.4Å; L320-Y324 PolarHBondContact O-N 2.81Å; I321-Y324 PolarHBondContact O-N 2.97Å; I321-Y324 VanDerWaalsContact O-N 3.16Å; Y324-N326 VanDerWaalsContact C-N 3.31Å; Y324-N326 PolarHBondContact O-N 3.16Å; Y324-L327 WeakPolarHBondContact O-CB 3.44Å; Y324-L327 PolarHBondContact O-N 3.25Å; Y324-I365 HydrophobicContact CD1-CG2 3.98Å; Y324-I365 HydrophobicContact CD2-CD1 3.78Å; Y324-I365 HydrophobicContact CD2-CG1 4.33Å; Y324-I365 HydrophobicContact CD2-CG2 3.98Å; Y324-I365 HydrophobicContact CE1-CG2 3.98Å; Y324-I365 HydrophobicContact CE2-CG2 4.02Å; Y324-I365 HydrophobicContact CG-CD1 3.91Å; Y324-I365 HydrophobicContact CG-CG1 4.05Å; Y324-I365 HydrophobicContact CG-CG2 3.96Å; Y324-Q369 PolarHBondContact OH-NE2 2.89Å; Y324-L376 HydrophobicContact CD1-CB 4.41Å; Y324-L376 HydrophobicContact CD1-CD1 3.97Å; Y324-L376 HydrophobicContact CD1-CD2 4.35Å; Y324-L376 HydrophobicContact CD1-CG 4.49Å; Y324-P377 VanDerWaalsContact CE1-O 3.32Å; Y324-P377 WeakPolarHBondContact CE1-O 3.43Å; Y324-P377 PolarHBondContact OH-O 3.11Å; Y324-L379 HydrophobicContact CD1-CD1 3.93Å; Y324-L379 HydrophobicContact CD1-CG 4.3Å; Y324-L379 HydrophobicContact CD2-CD1 4.03Å; Y324-L379 HydrophobicContact CE1-CD1 3.71Å; Y324-L379 HydrophobicContact CE1-CG 3.64Å; Y324-L379 HydrophobicContact CE2-CD1 3.8Å; Y324-L379 HydrophobicContact CE2-CG 4.24Å; Y324-L379 HydrophobicContact CG-CD1 4.1Å; Y324-L379 PolarHBondContact OH-N 3.03Å; Y324-L379 VanDerWaalsContact OH-N 3.15Å; Y324-I457 HydrophobicContact CE2-CD1 3.99Å |
| 325 | L | 93.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.5 | -27.1 | -176.8 | -61.4 | 178.3 | 0 | 0 | 0 | 113 | L145 I321 A331 L332 A335 | L145-L325 HydrophobicContact CD1-CD1 3.77Å; L145-L325 HydrophobicContact CD2-CD1 4.37Å; L145-L325 HydrophobicContact CG-CD1 3.98Å; I321-L325 HydrophobicContact CG2-CD1 3.76Å; I321-L325 HydrophobicContact CG2-CG 4.14Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 2.98Å; L325-A331 HydrophobicContact CD2-CB 4.27Å; L325-L332 HydrophobicContact CB-CB 4.39Å; L325-L332 HydrophobicContact CB-CD1 4.31Å; L325-L332 HydrophobicContact CD1-CD1 4.44Å; L325-A335 HydrophobicContact CD2-CB 3.8Å |
| 326 | N | 92.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 21.3 Ų | 21.3 | 40% | 0.396 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -88.2 | -5.1 | 174.4 | -71.7 | -88.7 | 0 | 0 | 0 | 113.7 | N322 Y324 I411 | N322-N326 PolarHBondContact ND2-ND2 3.34Å; N322-N326 WeakPolarHBondContact O-CB 3.39Å; N322-N326 PolarHBondContact O-N 2.94Å; N322-N326 VanDerWaalsContact O-N 3.1Å; N322-N326 PolarHBondContact O-ND2 3.1Å; N322-N326 PolarHBondContact OD1-ND2 3.16Å; N322-N326 VanDerWaalsContact OD1-ND2 3.16Å; Y324-N326 VanDerWaalsContact C-N 3.31Å; Y324-N326 PolarHBondContact O-N 3.16Å; N326-I411 HydrophobicContact CB-CD1 3.83Å |
| 327 | L | 91.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -78.1 | -36.5 | 176.4 | 179.9 | 59.1 | 0 | 0 | 0 | 111.9 | T323 Y324 L376 P377 I411 I414 R415 Y423 | T323-L327 PolarHBondContact O-N 3.32Å; Y324-L327 WeakPolarHBondContact O-CB 3.44Å; Y324-L327 PolarHBondContact O-N 3.25Å; L327-L376 HydrophobicContact CB-CD2 4.44Å; L327-L376 HydrophobicContact CD2-CD2 4.15Å; L327-L376 HydrophobicContact CG-CD2 4.44Å; L327-P377 HydrophobicContact CD2-CG 3.85Å; L327-I411 HydrophobicContact CD1-CG2 3.98Å; L327-I414 HydrophobicContact CD1-CB 4.21Å; L327-I414 HydrophobicContact CD1-CG2 3.83Å; L327-I414 HydrophobicContact CD2-CG2 3.76Å; L327-I414 HydrophobicContact CG-CG2 4.48Å; L327-R415 HydrophobicContact CD1-CG 4.18Å; L327-R415 PolarHBondContact O-NH2 3.01Å; L327-Y423 HydrophobicContact CD1-CD1 3.83Å; L327-Y423 HydrophobicContact CD1-CE1 3.8Å; L327-Y423 HydrophobicContact CD1-CG 4.5Å; L327-Y423 HydrophobicContact CD2-CD1 4.41Å; L327-Y423 HydrophobicContact CD2-CE1 3.83Å; L327-Y423 HydrophobicContact CG-CD1 3.81Å; L327-Y423 HydrophobicContact CG-CE1 3.73Å |
| 328 | N | 88.7 | Confident | 93.8 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.032 | 11% | 0.105 | C | C | . | . | trans | -141.2 | 116.4 | -176.9 | -178.7 | -24.3 | 0 | 0 | 0 | 110.5 | Q330 A331 L332 L375 L376 | N328-Q330 PolarHBondContact O-N 2.85Å; N328-Q330 VanDerWaalsContact O-N 3.14Å; N328-Q330 WeakPolarHBondContact OD1-CB 3.43Å; N328-Q330 PolarHBondContact OD1-N 3.03Å; N328-A331 HydrophobicContact CB-CB 4.38Å; N328-A331 VanDerWaalsContact O-CB 3.3Å; N328-A331 WeakPolarHBondContact O-CB 3.12Å; N328-A331 PolarHBondContact O-N 3.49Å; N328-L332 PolarHBondContact O-N 3.36Å; N328-L375 PolarHBondContact ND2-O 2.87Å; N328-L375 VanDerWaalsContact ND2-O 3.13Å; N328-L376 HydrophobicContact CB-CD2 3.9Å | ||
| 329 | D | 88.4 | Confident | 93.7 | Very high | 89 Ų | 89 | 20.4 Ų | 20.4 | 48% | 0.476 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -58.4 | -28.5 | -177.2 | -65.7 | -25.2 | 0 | 0 | 0 | 113.7 | A331 L332 Q333 | D329-A331 VanDerWaalsContact C-N 3.34Å; D329-L332 PolarHBondContact O-N 2.96Å; D329-Q333 VanDerWaalsContact O-CG 3.31Å; D329-Q333 WeakPolarHBondContact O-CG 3.28Å; D329-Q333 PolarHBondContact O-N 3.09Å |
| 330 | Q | 91 | Very high | 93.5 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.4 | -30.5 | 177 | -58.5 | -169.1 | -61 | 0 | 0 | 111.9 | N328 L332 Q333 L334 P431 L436 | N328-Q330 PolarHBondContact O-N 2.85Å; N328-Q330 VanDerWaalsContact O-N 3.14Å; N328-Q330 WeakPolarHBondContact OD1-CB 3.43Å; N328-Q330 PolarHBondContact OD1-N 3.03Å; Q330-L332 VanDerWaalsContact C-N 3.35Å; Q330-Q333 PolarHBondContact O-N 3.48Å; Q330-L334 WeakPolarHBondContact O-CB 3.49Å; Q330-L334 PolarHBondContact O-N 2.9Å; Q330-P431 PolarHBondContact NE2-O 3.08Å; Q330-L436 HydrophobicContact CB-CD1 3.8Å; Q330-L436 HydrophobicContact CG-CD1 4.27Å |
| 331 | A | 93 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L325 N328 D329 A335 L368 L376 | L325-A331 HydrophobicContact CD2-CB 4.27Å; N328-A331 HydrophobicContact CB-CB 4.38Å; N328-A331 VanDerWaalsContact O-CB 3.3Å; N328-A331 WeakPolarHBondContact O-CB 3.12Å; N328-A331 PolarHBondContact O-N 3.49Å; D329-A331 VanDerWaalsContact C-N 3.34Å; A331-A335 VanDerWaalsContact O-CB 3.25Å; A331-A335 WeakPolarHBondContact O-CB 2.94Å; A331-A335 PolarHBondContact O-N 3.01Å; A331-L368 HydrophobicContact CB-CD1 3.52Å; A331-L376 HydrophobicContact CB-CD1 4.15Å; A331-L376 HydrophobicContact CB-CD2 4.45Å |
| 332 | L | 92.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 26% | 0.262 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 173 | 179.7 | 59.5 | 0 | 0 | 0 | 111.8 | L145 L325 N328 D329 Q330 L334 A335 I336 | L145-L332 HydrophobicContact CD2-CD1 4.02Å; L325-L332 HydrophobicContact CB-CB 4.39Å; L325-L332 HydrophobicContact CB-CD1 4.31Å; L325-L332 HydrophobicContact CD1-CD1 4.44Å; N328-L332 PolarHBondContact O-N 3.36Å; D329-L332 PolarHBondContact O-N 2.96Å; Q330-L332 VanDerWaalsContact C-N 3.35Å; L332-L334 PolarHBondContact O-N 3.45Å; L332-A335 PolarHBondContact O-N 3.26Å; L332-I336 HydrophobicContact CD1-CD1 3.89Å; L332-I336 HydrophobicContact CD1-CG1 4.18Å; L332-I336 HydrophobicContact CG-CD1 3.86Å; L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.12Å |
| 333 | Q | 93.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 18.7 Ų | 18.7 | 23% | 0.229 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -46 | 178 | -71.2 | 166 | 21.5 | 0 | 0 | 111.9 | D329 Q330 I336 L337 L433 | D329-Q333 VanDerWaalsContact O-CG 3.31Å; D329-Q333 WeakPolarHBondContact O-CG 3.28Å; D329-Q333 PolarHBondContact O-N 3.09Å; Q330-Q333 PolarHBondContact O-N 3.48Å; Q333-I336 PolarHBondContact O-N 2.91Å; Q333-L337 VanDerWaalsContact O-CG 3.3Å; Q333-L337 WeakPolarHBondContact O-CG 3.42Å; Q333-L337 PolarHBondContact O-N 3.02Å; Q333-L433 HydrophobicContact CB-CD1 3.83Å; Q333-L433 HydrophobicContact CB-CD2 4.05Å |
| 334 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 179 | -163.9 | 69.6 | 0 | 0 | 0 | 111.7 | Q330 L332 L337 F338 V364 Y367 L368 L436 W437 F440 | Q330-L334 WeakPolarHBondContact O-CB 3.49Å; Q330-L334 PolarHBondContact O-N 2.9Å; L332-L334 PolarHBondContact O-N 3.45Å; L334-L337 PolarHBondContact O-N 3.49Å; L334-F338 WeakPolarHBondContact O-CB 3.37Å; L334-F338 PolarHBondContact O-N 3.3Å; L334-V364 HydrophobicContact CB-CG1 4.25Å; L334-V364 HydrophobicContact CD2-CG1 4.12Å; L334-V364 HydrophobicContact CD2-CG2 4.42Å; L334-V364 HydrophobicContact CG-CG1 4.4Å; L334-V364 HydrophobicContact CG-CG2 4.27Å; L334-Y367 HydrophobicContact CD2-CD1 3.97Å; L334-Y367 HydrophobicContact CD2-CE1 4.13Å; L334-L368 HydrophobicContact CD2-CD1 4.31Å; L334-L368 HydrophobicContact CD2-CD2 4.26Å; L334-L368 HydrophobicContact CD2-CG 4.38Å; L334-L436 HydrophobicContact CD1-CB 4.21Å; L334-W437 HydrophobicContact CD1-CB 4.22Å; L334-W437 HydrophobicContact CD1-CE3 3.84Å; L334-F440 HydrophobicContact CD1-CB 4.38Å; L334-F440 HydrophobicContact CD2-CB 4.21Å; L334-F440 HydrophobicContact CD2-CD2 4.38Å; L334-F440 HydrophobicContact CD2-CG 4.41Å |
| 335 | A | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L145 L325 A331 L332 R339 V364 | L145-A335 HydrophobicContact CD1-CB 3.78Å; L145-A335 HydrophobicContact CD2-CB 4.18Å; L325-A335 HydrophobicContact CD2-CB 3.8Å; A331-A335 VanDerWaalsContact O-CB 3.25Å; A331-A335 WeakPolarHBondContact O-CB 2.94Å; A331-A335 PolarHBondContact O-N 3.01Å; L332-A335 PolarHBondContact O-N 3.26Å; A335-R339 WeakPolarHBondContact O-CB 3.27Å; A335-R339 PolarHBondContact O-N 2.7Å; A335-V364 HydrophobicContact CB-CB 4.47Å; A335-V364 HydrophobicContact CB-CG1 4.22Å; A335-V364 HydrophobicContact CB-CG2 4.41Å |
| 336 | I | 93.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 7% | 0.067 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -45.6 | 172.3 | -67.4 | 164 | 0 | 0 | 0 | 110.5 | V106 L145 L332 Q333 F338 R339 K340 | V106-I336 HydrophobicContact CG1-CG1 4.01Å; V106-I336 HydrophobicContact CG1-CG2 4.3Å; V106-I336 HydrophobicContact CG2-CD1 3.84Å; V106-I336 HydrophobicContact CG2-CG1 4.09Å; V106-I336 HydrophobicContact CG2-CG2 4.42Å; L145-I336 HydrophobicContact CD2-CG1 3.62Å; L332-I336 HydrophobicContact CD1-CD1 3.89Å; L332-I336 HydrophobicContact CD1-CG1 4.18Å; L332-I336 HydrophobicContact CG-CD1 3.86Å; L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.5Å; L332-I336 PolarHBondContact O-N 3.12Å; Q333-I336 PolarHBondContact O-N 2.91Å; I336-F338 PolarHBondContact O-N 3.42Å; I336-R339 PolarHBondContact O-N 3.46Å; I336-K340 WeakPolarHBondContact O-CB 3.45Å; I336-K340 PolarHBondContact O-N 2.98Å |
| 337 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 177 | -71.6 | 167.3 | 0 | 0 | 0 | 111.7 | L98 A101 Q333 L334 K340 L341 L433 W437 F1030 | L98-L337 HydrophobicContact CB-CD1 4.04Å; L98-L337 HydrophobicContact CB-CD2 4.49Å; L98-L337 HydrophobicContact CD2-CD1 4.04Å; L98-L337 HydrophobicContact CD2-CD2 3.94Å; L98-L337 HydrophobicContact CG-CD1 4.49Å; A101-L337 HydrophobicContact CB-CD2 3.85Å; Q333-L337 VanDerWaalsContact O-CG 3.3Å; Q333-L337 WeakPolarHBondContact O-CG 3.42Å; Q333-L337 PolarHBondContact O-N 3.02Å; L334-L337 PolarHBondContact O-N 3.49Å; L337-K340 WeakPolarHBondContact O-CB 3.42Å; L337-K340 PolarHBondContact O-N 3.22Å; L337-L341 PolarHBondContact O-N 2.82Å; L337-L433 HydrophobicContact CD1-CD1 4.13Å; L337-L433 HydrophobicContact CD1-CD2 3.8Å; L337-L433 HydrophobicContact CD1-CG 3.95Å; L337-W437 HydrophobicContact CB-CE3 3.92Å; L337-W437 HydrophobicContact CB-CH2 4Å; L337-W437 HydrophobicContact CB-CZ3 3.62Å; L337-W437 HydrophobicContact CD1-CE3 4.46Å; L337-F1030 HydrophobicContact CD2-CD2 3.99Å; L337-F1030 HydrophobicContact CD2-CE2 3.63Å; L337-F1030 HydrophobicContact CD2-CZ 4.44Å |
| 338 | F | 95.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.5 | -34.4 | 177.6 | -169.5 | -134.9 | 0 | 0 | 0 | 112.5 | L334 I336 K340 L341 S342 L347 F355 I360 L363 V364 W437 F440 L502 | L334-F338 WeakPolarHBondContact O-CB 3.37Å; L334-F338 PolarHBondContact O-N 3.3Å; I336-F338 PolarHBondContact O-N 3.42Å; F338-K340 VanDerWaalsContact C-N 3.35Å; F338-L341 HydrophobicContact CD2-CD2 4.35Å; F338-S342 WeakPolarHBondContact O-CB 3.33Å; F338-S342 PolarHBondContact O-N 2.89Å; F338-S342 PolarHBondContact O-OG 3.45Å; F338-L347 HydrophobicContact CE2-CD1 4.39Å; F338-F355 HydrophobicContact CZ-CE2 4.32Å; F338-I360 HydrophobicContact CB-CG2 4.44Å; F338-I360 HydrophobicContact CD1-CB 4.24Å; F338-I360 HydrophobicContact CD1-CG1 4.41Å; F338-I360 HydrophobicContact CD1-CG2 3.66Å; F338-I360 HydrophobicContact CE1-CB 4.35Å; F338-I360 HydrophobicContact CE1-CG1 4.15Å; F338-I360 HydrophobicContact CE1-CG2 4.23Å; F338-I360 HydrophobicContact CG-CG2 4.32Å; F338-L363 HydrophobicContact CE1-CD1 3.93Å; F338-L363 HydrophobicContact CZ-CD1 4.42Å; F338-V364 HydrophobicContact CB-CG2 4.44Å; F338-W437 HydrophobicContact CB-CH2 4.47Å; F338-W437 HydrophobicContact CB-CZ3 3.99Å; F338-F440 HydrophobicContact CB-CE1 4.14Å; F338-F440 HydrophobicContact CB-CZ 4.36Å; F338-F440 AromaticContact CD1-CE1 3.89Å; F338-F440 HydrophobicContact CD1-CE1 3.89Å; F338-F440 AromaticContact CD1-CZ 3.5Å; F338-F440 HydrophobicContact CD1-CZ 3.5Å; F338-F440 AromaticContact CD2-CE1 3.66Å; F338-F440 HydrophobicContact CD2-CE1 3.66Å; F338-F440 HydrophobicContact CD2-CZ 4.14Å; F338-F440 HydrophobicContact CE1-CE1 4.25Å; F338-F440 AromaticContact CE1-CZ 3.77Å; F338-F440 HydrophobicContact CE1-CZ 3.77Å; F338-F440 HydrophobicContact CE2-CE1 4.05Å; F338-F440 HydrophobicContact CE2-CZ 4.38Å; F338-F440 AromaticContact CG-CE1 3.61Å; F338-F440 HydrophobicContact CG-CE1 3.61Å; F338-F440 AromaticContact CG-CZ 3.73Å; F338-F440 HydrophobicContact CG-CZ 3.73Å; F338-F440 HydrophobicContact CZ-CE1 4.34Å; F338-F440 HydrophobicContact CZ-CZ 4.22Å; F338-L502 HydrophobicContact CE2-CD2 3.79Å; F338-L502 HydrophobicContact CZ-CD2 4.4Å |
| 339 | R | 92.7 | Very high | 92 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 170.4 | -176 | 70.8 | -169.9 | 159.4 | 12.4 | 111.7 | L147 A335 I336 S342 R343 D348 E357 I360 | L147-R339 HydrophobicContact CD2-CG 4.11Å; L147-R339 HydrophobicContact CG-CG 4.31Å; A335-R339 WeakPolarHBondContact O-CB 3.27Å; A335-R339 PolarHBondContact O-N 2.7Å; I336-R339 PolarHBondContact O-N 3.46Å; R339-S342 PolarHBondContact O-N 2.79Å; R339-R343 PolarHBondContact O-N 2.63Å; R339-D348 IonicContact CZ-OD2 2.71Å; R339-D348 IonicContact NH1-OD2 3.78Å; R339-D348 PolarHBondContact NH1-OD2 2.88Å; R339-D348 IonicContact NH2-OD2 3.53Å; R339-D348 PolarHBondContact NH2-OD2 3.13Å; R339-E357 IonicContact CZ-OE1 2.77Å; R339-E357 IonicContact NH1-OE1 3.97Å; R339-E357 IonicContact NH2-OE1 3.86Å; R339-E357 PolarHBondContact NH2-OE1 2.68Å; R339-I360 HydrophobicContact CB-CG2 4.23Å |
| 340 | K | 91.2 | Very high | 91.8 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 12% | 0.117 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -52.6 | 175.2 | -176.1 | -177.6 | -171.1 | 178.9 | 0 | 111.5 | V105 I336 L337 F338 S342 R343 L344 F1030 | V105-K340 HydrophobicContact CB-CD 4.45Å; V105-K340 HydrophobicContact CG1-CB 4.06Å; V105-K340 HydrophobicContact CG1-CD 4.14Å; V105-K340 HydrophobicContact CG1-CG 3.92Å; V105-K340 HydrophobicContact CG2-CD 3.87Å; I336-K340 WeakPolarHBondContact O-CB 3.45Å; I336-K340 PolarHBondContact O-N 2.98Å; L337-K340 WeakPolarHBondContact O-CB 3.42Å; L337-K340 PolarHBondContact O-N 3.22Å; F338-K340 VanDerWaalsContact C-N 3.35Å; K340-S342 VanDerWaalsContact C-N 3.27Å; K340-S342 PolarHBondContact O-N 3.2Å; K340-R343 PolarHBondContact O-N 2.9Å; K340-L344 HydrophobicContact CG-CD1 4.34Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 3.15Å; K340-F1030 HydrophobicContact CB-CE1 4.17Å; K340-F1030 HydrophobicContact CB-CZ 4.36Å; K340-F1030 HydrophobicContact CD-CD1 3.5Å; K340-F1030 VanDerWaalsContact CD-CD1 3.5Å; K340-F1030 HydrophobicContact CD-CE1 3.5Å; K340-F1030 HydrophobicContact CD-CG 4.03Å; K340-F1030 HydrophobicContact CD-CZ 4.04Å; K340-F1030 VanDerWaalsContact CE-CD1 3.44Å; K340-F1030 WeakPolarHBondContact CE-O 3.16Å; K340-F1030 HydrophobicContact CG-CD1 4.01Å; K340-F1030 HydrophobicContact CG-CE1 3.6Å; K340-F1030 HydrophobicContact CG-CZ 4.24Å; K340-F1030 PolarHBondContact NZ-O 3.35Å |
| 341 | L | 92.7 | Very high | 91 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.8 | -44.6 | 175.2 | 178.8 | 61.9 | 0 | 0 | 0 | 111 | L337 F338 R343 L344 G345 W437 L441 L502 A505 F1030 L1059 L1060 | L337-L341 PolarHBondContact O-N 2.82Å; F338-L341 HydrophobicContact CD2-CD2 4.35Å; L341-R343 PolarHBondContact O-N 3.41Å; L341-L344 PolarHBondContact O-N 3.08Å; L341-G345 PolarHBondContact O-N 3.32Å; L341-W437 HydrophobicContact CB-CH2 3.96Å; L341-W437 HydrophobicContact CB-CZ2 4.38Å; L341-W437 HydrophobicContact CD2-CH2 3.86Å; L341-W437 HydrophobicContact CD2-CZ2 3.98Å; L341-L441 HydrophobicContact CD2-CD2 4.16Å; L341-L502 HydrophobicContact CD2-CD2 4.42Å; L341-A505 HydrophobicContact CD1-CB 3.96Å; L341-A505 HydrophobicContact CD2-CB 3.65Å; L341-A505 HydrophobicContact CG-CB 4.48Å; L341-F1030 HydrophobicContact CB-CE1 4.47Å; L341-F1030 HydrophobicContact CB-CZ 4.11Å; L341-L1059 HydrophobicContact CD1-CD1 4.08Å; L341-L1059 HydrophobicContact CD1-CD2 4.49Å; L341-L1059 HydrophobicContact CD1-CG 4.08Å; L341-L1060 HydrophobicContact CD1-CD2 3.92Å |
| 342 | S | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 112 | F338 R339 K340 G345 H346 L347 I360 | F338-S342 WeakPolarHBondContact O-CB 3.33Å; F338-S342 PolarHBondContact O-N 2.89Å; F338-S342 PolarHBondContact O-OG 3.45Å; R339-S342 PolarHBondContact O-N 2.79Å; K340-S342 VanDerWaalsContact C-N 3.27Å; K340-S342 PolarHBondContact O-N 3.2Å; S342-G345 CarbonylContact O-C 3.58Å; S342-H346 CarbonylContact O-C 3.37Å; S342-H346 WeakPolarHBondContact O-CA 3.26Å; S342-H346 PolarHBondContact O-N 3.19Å; S342-L347 PolarHBondContact O-N 2.92Å; S342-I360 WeakPolarHBondContact OG-CD1 3.41Å |
| 343 | R | 89.5 | Confident | 89.7 | Confident | 54 Ų | 54 | 20 Ų | 20 | 20% | 0.204 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 177.9 | -179.1 | 54.7 | 69.8 | 84.1 | 20.1 | 113.4 | L147 D149 R339 K340 L341 G345 H346 D348 | L147-R343 HydrophobicContact CD1-CB 3.63Å; L147-R343 HydrophobicContact CD1-CG 3.78Å; D149-R343 IonicContact OD1-NH1 2.98Å; D149-R343 PolarHBondContact OD1-NH1 2.89Å; D149-R343 IonicContact OD2-CZ 3.17Å; D149-R343 IonicContact OD2-NH1 3.53Å; D149-R343 PolarHBondContact OD2-NH1 3.27Å; R339-R343 PolarHBondContact O-N 2.63Å; K340-R343 PolarHBondContact O-N 2.9Å; L341-R343 PolarHBondContact O-N 3.41Å; R343-G345 VanDerWaalsContact C-N 3.33Å; R343-H346 PolarHBondContact O-N 3.02Å; R343-D348 WeakPolarHBondContact CA-OD1 3.34Å; R343-D348 WeakPolarHBondContact CD-OD1 3.26Å; R343-D348 IonicContact CZ-OD2 2.67Å; R343-D348 VanDerWaalsContact NE-CG 3.3Å; R343-D348 IonicContact NE-OD1 2.65Å; R343-D348 PolarHBondContact NE-OD1 3.44Å; R343-D348 IonicContact NE-OD2 3.35Å; R343-D348 PolarHBondContact NE-OD2 3.03Å; R343-D348 IonicContact NH2-OD2 3.4Å; R343-D348 PolarHBondContact NH2-OD2 3.28Å |
| 344 | L | 88.5 | Confident | 89.6 | Confident | 43 Ų | 43 | 17.6 Ų | 17.6 | 23% | 0.225 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.9 | -65.1 | 177.4 | 0 | 0 | 0 | 111.1 | K340 L341 F1030 L1032 L1059 L1060 | K340-L344 HydrophobicContact CG-CD1 4.34Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 3.15Å; L341-L344 PolarHBondContact O-N 3.08Å; L344-F1030 HydrophobicContact CD1-CD1 4.05Å; L344-F1030 HydrophobicContact CD1-CE1 3.96Å; L344-L1032 HydrophobicContact CB-CD1 4.33Å; L344-L1032 HydrophobicContact CD2-CD1 3.82Å; L344-L1032 HydrophobicContact CD2-CG 4.09Å; L344-L1059 HydrophobicContact CD1-CD2 3.8Å; L344-L1060 HydrophobicContact CB-CD1 4.39Å; L344-L1060 VanDerWaalsContact O-CD1 3.23Å; L344-L1060 WeakPolarHBondContact O-CD1 3.38Å |
| 345 | G | 88.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 12.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L341 S342 R343 L347 Y497 Q501 | L341-G345 PolarHBondContact O-N 3.32Å; S342-G345 CarbonylContact O-C 3.58Å; R343-G345 VanDerWaalsContact C-N 3.33Å; G345-L347 WeakPolarHBondContact O-CD2 3.39Å; G345-L347 PolarHBondContact O-N 2.97Å; G345-L347 VanDerWaalsContact O-N 3.13Å; G345-Y497 VanDerWaalsContact O-CE1 3.31Å; G345-Y497 WeakPolarHBondContact O-CE1 3.39Å; G345-Y497 PolarHBondContact O-OH 3.21Å; G345-Y497 VanDerWaalsContact O-OH 3.12Å; G345-Q501 PolarHBondContact O-NE2 2.93Å; G345-Q501 VanDerWaalsContact O-NE2 3.15Å |
| 346 | H | 91.7 | Very high | 89.1 | Confident | 49 Ų | 49 | 20.7 Ų | 20.7 | 23% | 0.227 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 30.2 | -178.2 | -47.5 | -82 | 0 | 0 | 0 | 115.2 | S342 R343 D348 M349 T354 F1063 A1065 | S342-H346 CarbonylContact O-C 3.37Å; S342-H346 WeakPolarHBondContact O-CA 3.26Å; S342-H346 PolarHBondContact O-N 3.19Å; R343-H346 PolarHBondContact O-N 3.02Å; H346-D348 VanDerWaalsContact C-N 3.29Å; H346-M349 HydrophobicContact CB-CG 4.21Å; H346-T354 PolarHBondContact O-OG1 3.02Å; H346-F1063 PolarHBondContact NE2-O 3.37Å; H346-A1065 HydrophobicContact CB-CB 3.78Å; H346-A1065 PolarHBondContact CD2-N 2.84Å |
| 347 | L | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.3 | 177.5 | -47.7 | -178.4 | 0 | 0 | 0 | 113 | F338 S342 G345 T354 F355 Y497 I498 Q501 | F338-L347 HydrophobicContact CE2-CD1 4.39Å; S342-L347 PolarHBondContact O-N 2.92Å; G345-L347 WeakPolarHBondContact O-CD2 3.39Å; G345-L347 PolarHBondContact O-N 2.97Å; G345-L347 VanDerWaalsContact O-N 3.13Å; L347-T354 VanDerWaalsContact C-OG1 3.23Å; L347-T354 VanDerWaalsContact O-CB 3.3Å; L347-T354 WeakPolarHBondContact O-CB 3.34Å; L347-T354 PolarHBondContact O-OG1 3.03Å; L347-T354 VanDerWaalsContact O-OG1 3.11Å; L347-F355 HydrophobicContact CB-CD2 4.29Å; L347-F355 WeakPolarHBondContact O-CB 3.45Å; L347-F355 PolarHBondContact O-N 3.44Å; L347-Y497 HydrophobicContact CD2-CD1 4.16Å; L347-Y497 HydrophobicContact CD2-CE1 3.97Å; L347-I498 HydrophobicContact CD2-CB 4.45Å; L347-I498 HydrophobicContact CD2-CG1 4Å; L347-Q501 HydrophobicContact CD1-CB 4.45Å; L347-Q501 HydrophobicContact CD2-CB 3.99Å; L347-Q501 HydrophobicContact CD2-CG 3.94Å |
| 348 | D | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 23.4 | -179.8 | 76.3 | -40.8 | 0 | 0 | 0 | 113.8 | R339 R343 H346 P350 F355 I360 | R339-D348 IonicContact CZ-OD2 2.71Å; R339-D348 IonicContact NH1-OD2 3.78Å; R339-D348 PolarHBondContact NH1-OD2 2.88Å; R339-D348 IonicContact NH2-OD2 3.53Å; R339-D348 PolarHBondContact NH2-OD2 3.13Å; R343-D348 WeakPolarHBondContact CA-OD1 3.34Å; R343-D348 WeakPolarHBondContact CD-OD1 3.26Å; R343-D348 IonicContact CZ-OD2 2.67Å; R343-D348 VanDerWaalsContact NE-CG 3.3Å; R343-D348 IonicContact NE-OD1 2.65Å; R343-D348 PolarHBondContact NE-OD1 3.44Å; R343-D348 IonicContact NE-OD2 3.35Å; R343-D348 PolarHBondContact NE-OD2 3.03Å; R343-D348 IonicContact NH2-OD2 3.4Å; R343-D348 PolarHBondContact NH2-OD2 3.28Å; H346-D348 VanDerWaalsContact C-N 3.29Å; D348-P350 VanDerWaalsContact C-CD 3.43Å; D348-P350 WeakPolarHBondContact O-CD 3.38Å; D348-F355 CarbonylContact C-O 3.57Å; D348-I360 HydrophobicContact CB-CD1 3.8Å |
| 349 | M | 86.7 | Confident | 88.7 | Confident | 48 Ų | 48 | 21.6 Ų | 21.6 | 24% | 0.236 | 11% | 0.107 | C | C | . | . | trans | -105.4 | 76.4 | 177.7 | -60.5 | -73.4 | 93.1 | 0 | 0 | 109.6 | H346 E351 N352 T354 | H346-M349 HydrophobicContact CB-CG 4.21Å; M349-E351 PolarHBondContact O-N 3.29Å; M349-N352 HydrophobicContact CB-CB 4.18Å; M349-N352 PolarHBondContact O-N 3.21Å; M349-T354 WeakPolarHBondContact CA-OG1 3.3Å; M349-T354 PolarHBondContact N-OG1 3.02Å; M349-T354 PolarHBondContact O-N 3.05Å; M349-T354 PolarHBondContact O-OG1 2.93Å | ||
| 350 | P | 83.4 | Confident | 88.7 | Confident | 27 Ų | 27 | 21.6 Ų | 21.6 | 18% | 0.175 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -61.8 | -28.4 | -176.9 | 26.2 | -35.5 | 0 | 0 | 0 | 112.5 | D348 N352 G353 T354 F355 E356 N489 | D348-P350 VanDerWaalsContact C-CD 3.43Å; D348-P350 WeakPolarHBondContact O-CD 3.38Å; P350-N352 PolarHBondContact O-N 3.44Å; P350-G353 PolarHBondContact O-N 3.24Å; P350-T354 WeakPolarHBondContact CA-O 3.36Å; P350-F355 WeakPolarHBondContact CD-O 3.32Å; P350-E356 HydrophobicContact CB-CB 4.5Å; P350-E356 HydrophobicContact CB-CG 3.88Å; P350-E356 HydrophobicContact CG-CG 4.42Å; P350-N489 WeakPolarHBondContact CA-ND2 3.48Å; P350-N489 PolarHBondContact O-ND2 3.49Å |
| 351 | E | 73.9 | Confident | 88.9 | Confident | 62 Ų | 62 | 20.3 Ų | 20.3 | 29% | 0.29 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -64.6 | -22.5 | 172.9 | 64.8 | -99.7 | -111.8 | 0 | 0 | 112.8 | Y292 M349 R1079 | Y292-E351 HydrophobicContact CE2-CB 4.25Å; M349-E351 PolarHBondContact O-N 3.29Å; E351-R1079 VanDerWaalsContact C-NH2 3.31Å; E351-R1079 PolarHBondContact O-NH1 3.08Å; E351-R1079 PolarHBondContact O-NH2 3.49Å |
| 352 | N | 79.9 | Confident | 89.1 | Confident | 31 Ų | 31 | 20.4 Ų | 20.4 | 17% | 0.166 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -94.8 | 8.5 | 172.9 | -77.1 | 25 | 0 | 0 | 0 | 113.1 | M349 P350 P1066 R1079 | M349-N352 HydrophobicContact CB-CB 4.18Å; M349-N352 PolarHBondContact O-N 3.21Å; P350-N352 PolarHBondContact O-N 3.44Å; N352-P1066 HydrophobicContact CB-CG 4.38Å; N352-P1066 PolarHBondContact ND2-O 3.05Å; N352-R1079 PolarHBondContact OD1-NH2 3.17Å |
| 353 | G | 80.2 | Confident | 89.3 | Confident | 10 Ų | 10 | 20.5 Ų | 20.5 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 16.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | P350 L490 S494 | P350-G353 PolarHBondContact O-N 3.24Å; G353-L490 WeakPolarHBondContact O-CD2 3.46Å; G353-S494 WeakPolarHBondContact O-CB 3.19Å; G353-S494 PolarHBondContact O-OG 2.99Å |
| 354 | T | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -100.7 | -166.7 | 174.5 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | H346 L347 M349 P350 N489 L490 P1066 | H346-T354 PolarHBondContact O-OG1 3.02Å; L347-T354 VanDerWaalsContact C-OG1 3.23Å; L347-T354 VanDerWaalsContact O-CB 3.3Å; L347-T354 WeakPolarHBondContact O-CB 3.34Å; L347-T354 PolarHBondContact O-OG1 3.03Å; L347-T354 VanDerWaalsContact O-OG1 3.11Å; M349-T354 WeakPolarHBondContact CA-OG1 3.3Å; M349-T354 PolarHBondContact N-OG1 3.02Å; M349-T354 PolarHBondContact O-N 3.05Å; M349-T354 PolarHBondContact O-OG1 2.93Å; P350-T354 WeakPolarHBondContact CA-O 3.36Å; T354-N489 PolarHBondContact O-ND2 3.23Å; T354-L490 WeakPolarHBondContact O-CD2 3.37Å; T354-P1066 HydrophobicContact CG2-CG 3.53Å |
| 355 | F | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | trans | -68.5 | 145.7 | -173.1 | -61.7 | -60.1 | 0 | 0 | 0 | 112.9 | F338 L347 D348 P350 V359 L363 F474 L490 I498 | F338-F355 HydrophobicContact CZ-CE2 4.32Å; L347-F355 HydrophobicContact CB-CD2 4.29Å; L347-F355 WeakPolarHBondContact O-CB 3.45Å; L347-F355 PolarHBondContact O-N 3.44Å; D348-F355 CarbonylContact C-O 3.57Å; P350-F355 WeakPolarHBondContact CD-O 3.32Å; F355-V359 HydrophobicContact CB-CB 4.19Å; F355-V359 HydrophobicContact CB-CG1 4.29Å; F355-V359 HydrophobicContact CD1-CB 4.3Å; F355-V359 HydrophobicContact CD1-CG1 3.57Å; F355-V359 HydrophobicContact CE1-CG1 4.07Å; F355-V359 HydrophobicContact CG-CG1 4.1Å; F355-L363 HydrophobicContact CE1-CD1 4.16Å; F355-L363 HydrophobicContact CE2-CD1 4.27Å; F355-L363 HydrophobicContact CZ-CD1 3.93Å; F355-F474 HydrophobicContact CE1-CB 4.33Å; F355-F474 HydrophobicContact CE1-CD1 4.37Å; F355-F474 AromaticContact CE1-CD2 3.99Å; F355-F474 HydrophobicContact CE1-CD2 3.99Å; F355-F474 HydrophobicContact CE1-CE2 4.38Å; F355-F474 HydrophobicContact CE1-CG 4Å; F355-F474 HydrophobicContact CZ-CD1 4.42Å; F355-F474 AromaticContact CZ-CD2 3.97Å; F355-F474 HydrophobicContact CZ-CD2 3.97Å; F355-F474 HydrophobicContact CZ-CE1 4.32Å; F355-F474 AromaticContact CZ-CE2 3.88Å; F355-F474 HydrophobicContact CZ-CE2 3.88Å; F355-F474 HydrophobicContact CZ-CG 4.26Å; F355-F474 HydrophobicContact CZ-CZ 4.07Å; F355-L490 HydrophobicContact CD1-CD1 3.93Å; F355-L490 HydrophobicContact CD1-CD2 4.34Å; F355-L490 HydrophobicContact CE1-CD1 3.71Å; F355-I498 HydrophobicContact CD2-CD1 4.39Å; F355-I498 HydrophobicContact CE1-CD1 4.26Å; F355-I498 HydrophobicContact CE2-CD1 4.05Å; F355-I498 HydrophobicContact CE2-CG1 4.22Å; F355-I498 HydrophobicContact CE2-CG2 3.69Å; F355-I498 HydrophobicContact CZ-CD1 3.99Å; F355-I498 HydrophobicContact CZ-CG2 3.81Å | ||
| 356 | E | 88.5 | Confident | 90.5 | Very high | 63 Ų | 63 | 15.9 Ų | 15.9 | 29% | 0.294 | 8% | 0.082 | S | C | . | . | trans | -67.1 | 154.3 | 161.4 | -64.2 | -167.5 | 162.8 | 0 | 0 | 111.2 | P350 T358 V359 | P350-E356 HydrophobicContact CB-CB 4.5Å; P350-E356 HydrophobicContact CB-CG 3.88Å; P350-E356 HydrophobicContact CG-CG 4.42Å; E356-T358 VanDerWaalsContact CB-OG1 3.32Å; E356-T358 WeakPolarHBondContact CB-OG1 3.44Å; E356-T358 PolarHBondContact O-N 3.2Å; E356-T358 VanDerWaalsContact O-N 3.09Å; E356-T358 PolarHBondContact OE2-OG1 2.93Å; E356-V359 HydrophobicContact CB-CG2 4.32Å; E356-V359 PolarHBondContact O-N 2.9Å | ||
| 357 | E | 87.6 | Confident | 90.7 | Very high | 22 Ų | 22 | 14 Ų | 14 | 10% | 0.103 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.4 | 179.1 | -54.7 | -157.2 | 142.8 | 0 | 0 | 113.4 | S140 F143 H151 R339 P361 | S140-E357 WeakPolarHBondContact CB-OE2 3.34Å; S140-E357 PolarHBondContact OG-OE2 3.16Å; F143-E357 HydrophobicContact CZ-CB 4.5Å; F143-E357 WeakPolarHBondContact CZ-O 3.3Å; H151-E357 IonicContact CE1-OE1 2.93Å; R339-E357 IonicContact CZ-OE1 2.77Å; R339-E357 IonicContact NH1-OE1 3.97Å; R339-E357 IonicContact NH2-OE1 3.86Å; R339-E357 PolarHBondContact NH2-OE1 2.68Å; E357-P361 VanDerWaalsContact O-CD 3.29Å; E357-P361 WeakPolarHBondContact O-CD 3.45Å |
| 358 | T | 91.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 8% | 0.08 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -31.1 | 177.3 | 39.1 | 0 | 0 | 0 | 0 | 113.5 | F143 L317 E356 P361 L362 | F143-T358 HydrophobicContact CE1-CG2 4.09Å; L317-T358 HydrophobicContact CD2-CG2 4.09Å; E356-T358 VanDerWaalsContact CB-OG1 3.32Å; E356-T358 WeakPolarHBondContact CB-OG1 3.44Å; E356-T358 PolarHBondContact O-N 3.2Å; E356-T358 VanDerWaalsContact O-N 3.09Å; E356-T358 PolarHBondContact OE2-OG1 2.93Å; T358-P361 WeakPolarHBondContact O-CD 3.33Å; T358-P361 WeakPolarHBondContact O-CG 3.3Å; T358-L362 WeakPolarHBondContact O-CD1 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.3Å; T358-L362 WeakPolarHBondContact O-CG 3.19Å |
| 359 | V | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72 | -37.6 | -177.2 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | F355 E356 L362 L363 V476 L486 | F355-V359 HydrophobicContact CB-CB 4.19Å; F355-V359 HydrophobicContact CB-CG1 4.29Å; F355-V359 HydrophobicContact CD1-CB 4.3Å; F355-V359 HydrophobicContact CD1-CG1 3.57Å; F355-V359 HydrophobicContact CE1-CG1 4.07Å; F355-V359 HydrophobicContact CG-CG1 4.1Å; E356-V359 HydrophobicContact CB-CG2 4.32Å; E356-V359 PolarHBondContact O-N 2.9Å; V359-L362 PolarHBondContact O-N 3.07Å; V359-L363 HydrophobicContact CG1-CD1 3.82Å; V359-L363 HydrophobicContact CG1-CD2 4.43Å; V359-L363 HydrophobicContact CG1-CG 3.88Å; V359-L363 WeakPolarHBondContact O-CG 3.42Å; V359-L363 PolarHBondContact O-N 3.14Å; V359-V476 HydrophobicContact CG1-CG2 4.02Å; V359-V476 HydrophobicContact CG2-CG1 4.46Å; V359-L486 HydrophobicContact CG2-CB 3.64Å |
| 360 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -49.3 | -54.6 | -179.4 | -71.2 | 167 | 0 | 0 | 0 | 113 | F338 R339 S342 D348 V364 | F338-I360 HydrophobicContact CB-CG2 4.44Å; F338-I360 HydrophobicContact CD1-CB 4.24Å; F338-I360 HydrophobicContact CD1-CG1 4.41Å; F338-I360 HydrophobicContact CD1-CG2 3.66Å; F338-I360 HydrophobicContact CE1-CB 4.35Å; F338-I360 HydrophobicContact CE1-CG1 4.15Å; F338-I360 HydrophobicContact CE1-CG2 4.23Å; F338-I360 HydrophobicContact CG-CG2 4.32Å; R339-I360 HydrophobicContact CB-CG2 4.23Å; S342-I360 WeakPolarHBondContact OG-CD1 3.41Å; D348-I360 HydrophobicContact CB-CD1 3.8Å; I360-V364 PolarHBondContact O-N 3.16Å |
| 361 | P | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -72.4 | -28.3 | 175.6 | 28.4 | -36 | 0 | 0 | 0 | 113.9 | F143 L145 I321 E357 T358 L363 V364 I365 | F143-P361 HydrophobicContact CD2-CG 4.33Å; F143-P361 HydrophobicContact CE2-CG 3.91Å; F143-P361 HydrophobicContact CZ-CG 4.27Å; L145-P361 HydrophobicContact CD1-CB 3.94Å; L145-P361 HydrophobicContact CD1-CG 4.24Å; I321-P361 HydrophobicContact CD1-CG 3.99Å; I321-P361 HydrophobicContact CG1-CG 4.46Å; I321-P361 HydrophobicContact CG2-CB 3.6Å; I321-P361 HydrophobicContact CG2-CG 3.77Å; E357-P361 VanDerWaalsContact O-CD 3.29Å; E357-P361 WeakPolarHBondContact O-CD 3.45Å; T358-P361 WeakPolarHBondContact O-CD 3.33Å; T358-P361 WeakPolarHBondContact O-CG 3.3Å; P361-L363 VanDerWaalsContact C-N 3.34Å; P361-V364 PolarHBondContact O-N 3.1Å; P361-I365 WeakPolarHBondContact O-CD1 3.28Å; P361-I365 VanDerWaalsContact O-CG1 3.25Å; P361-I365 WeakPolarHBondContact O-CG1 3.39Å; P361-I365 PolarHBondContact O-N 3.15Å |
| 362 | L | 97 | Very high | 92.1 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 176.9 | -69.5 | 172.6 | 0 | 0 | 0 | 111.9 | L317 I321 T358 V359 V364 I365 F366 I457 V476 P479 L486 | L317-L362 HydrophobicContact CD1-CD2 4.33Å; I321-L362 HydrophobicContact CD1-CD2 4.49Å; I321-L362 HydrophobicContact CD1-CG 4.49Å; I321-L362 HydrophobicContact CG1-CD2 4.3Å; T358-L362 WeakPolarHBondContact O-CD1 3.31Å; T358-L362 VanDerWaalsContact O-CG 3.3Å; T358-L362 WeakPolarHBondContact O-CG 3.19Å; V359-L362 PolarHBondContact O-N 3.07Å; L362-V364 VanDerWaalsContact C-N 3.34Å; L362-I365 PolarHBondContact O-N 3.43Å; L362-F366 WeakPolarHBondContact O-CB 3.41Å; L362-F366 PolarHBondContact O-N 3.44Å; L362-I457 HydrophobicContact CD2-CD1 3.45Å; L362-I457 VanDerWaalsContact CD2-CD1 3.45Å; L362-I457 HydrophobicContact CD2-CG1 4.14Å; L362-V476 HydrophobicContact CB-CG1 4.38Å; L362-V476 HydrophobicContact CD1-CG1 4.07Å; L362-P479 HydrophobicContact CD2-CG 4.37Å; L362-L486 HydrophobicContact CD1-CD1 3.5Å; L362-L486 VanDerWaalsContact CD1-CD1 3.5Å |
| 363 | L | 97 | Very high | 92.4 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 172 | -64.5 | 176.3 | 0 | 0 | 0 | 111.5 | F338 F355 V359 P361 Y367 F440 Y444 I455 F474 V476 | F338-L363 HydrophobicContact CE1-CD1 3.93Å; F338-L363 HydrophobicContact CZ-CD1 4.42Å; F355-L363 HydrophobicContact CE1-CD1 4.16Å; F355-L363 HydrophobicContact CE2-CD1 4.27Å; F355-L363 HydrophobicContact CZ-CD1 3.93Å; V359-L363 HydrophobicContact CG1-CD1 3.82Å; V359-L363 HydrophobicContact CG1-CD2 4.43Å; V359-L363 HydrophobicContact CG1-CG 3.88Å; V359-L363 WeakPolarHBondContact O-CG 3.42Å; V359-L363 PolarHBondContact O-N 3.14Å; P361-L363 VanDerWaalsContact C-N 3.34Å; L363-Y367 WeakPolarHBondContact O-CB 3.3Å; L363-Y367 PolarHBondContact O-N 3.04Å; L363-F440 HydrophobicContact CB-CE2 4.25Å; L363-F440 HydrophobicContact CB-CZ 4.39Å; L363-Y444 WeakPolarHBondContact CA-OH 3.31Å; L363-Y444 HydrophobicContact CB-CE2 3.89Å; L363-Y444 HydrophobicContact CD2-CE1 3.97Å; L363-Y444 HydrophobicContact CD2-CE2 4.3Å; L363-Y444 PolarHBondContact O-OH 3.07Å; L363-I455 HydrophobicContact CD2-CD1 3.34Å; L363-I455 HydrophobicContact CD2-CG2 4.37Å; L363-F474 HydrophobicContact CD2-CD1 4.35Å; L363-V476 HydrophobicContact CD2-CG2 4.23Å |
| 364 | V | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 175.8 | 163.2 | 0 | 0 | 0 | 0 | 112 | L334 A335 F338 I360 P361 L362 Y367 L368 F440 | L334-V364 HydrophobicContact CB-CG1 4.25Å; L334-V364 HydrophobicContact CD2-CG1 4.12Å; L334-V364 HydrophobicContact CD2-CG2 4.42Å; L334-V364 HydrophobicContact CG-CG1 4.4Å; L334-V364 HydrophobicContact CG-CG2 4.27Å; A335-V364 HydrophobicContact CB-CB 4.47Å; A335-V364 HydrophobicContact CB-CG1 4.22Å; A335-V364 HydrophobicContact CB-CG2 4.41Å; F338-V364 HydrophobicContact CB-CG2 4.44Å; I360-V364 PolarHBondContact O-N 3.16Å; P361-V364 PolarHBondContact O-N 3.1Å; L362-V364 VanDerWaalsContact C-N 3.34Å; V364-Y367 PolarHBondContact O-N 3.48Å; V364-L368 HydrophobicContact CG1-CD1 3.86Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.35Å; V364-L368 PolarHBondContact O-N 2.97Å; V364-F440 HydrophobicContact CB-CE2 4.46Å; V364-F440 HydrophobicContact CG2-CD2 4.19Å; V364-F440 HydrophobicContact CG2-CE2 3.64Å; V364-F440 HydrophobicContact CG2-CZ 4Å |
| 365 | I | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 179.1 | -68.3 | 160.3 | 0 | 0 | 0 | 110.5 | I321 Y324 P361 L362 Y367 L368 Q369 L376 I457 | I321-I365 HydrophobicContact CG1-CD1 4.29Å; I321-I365 HydrophobicContact CG2-CD1 4.35Å; Y324-I365 HydrophobicContact CD1-CG2 3.98Å; Y324-I365 HydrophobicContact CD2-CD1 3.78Å; Y324-I365 HydrophobicContact CD2-CG1 4.33Å; Y324-I365 HydrophobicContact CD2-CG2 3.98Å; Y324-I365 HydrophobicContact CE1-CG2 3.98Å; Y324-I365 HydrophobicContact CE2-CG2 4.02Å; Y324-I365 HydrophobicContact CG-CD1 3.91Å; Y324-I365 HydrophobicContact CG-CG1 4.05Å; Y324-I365 HydrophobicContact CG-CG2 3.96Å; P361-I365 WeakPolarHBondContact O-CD1 3.28Å; P361-I365 VanDerWaalsContact O-CG1 3.25Å; P361-I365 WeakPolarHBondContact O-CG1 3.39Å; P361-I365 PolarHBondContact O-N 3.15Å; L362-I365 PolarHBondContact O-N 3.43Å; I365-Y367 PolarHBondContact O-N 2.9Å; I365-L368 PolarHBondContact O-N 3.05Å; I365-Q369 HydrophobicContact CG2-CG 4.44Å; I365-Q369 WeakPolarHBondContact O-CG 3.32Å; I365-Q369 PolarHBondContact O-N 3.27Å; I365-L376 HydrophobicContact CB-CD1 4.41Å; I365-L376 HydrophobicContact CG1-CD1 4.26Å; I365-L376 HydrophobicContact CG2-CD1 4.26Å; I365-I457 HydrophobicContact CB-CG2 4.38Å; I365-I457 HydrophobicContact CG2-CB 4.28Å; I365-I457 HydrophobicContact CG2-CD1 4.23Å; I365-I457 HydrophobicContact CG2-CG2 3.89Å |
| 366 | F | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.5 | -176.4 | -95.9 | 0 | 0 | 0 | 112.1 | L362 L368 Q369 H370 F443 Y444 F448 I455 N456 I457 W991 | L362-F366 WeakPolarHBondContact O-CB 3.41Å; L362-F366 PolarHBondContact O-N 3.44Å; F366-L368 VanDerWaalsContact C-N 3.33Å; F366-L368 PolarHBondContact O-N 2.71Å; F366-Q369 PolarHBondContact O-N 3.16Å; F366-H370 AromaticContact CD1-CD2 3.88Å; F366-H370 AromaticContact CD2-CD2 3.77Å; F366-H370 AromaticContact CD2-NE2 3.76Å; F366-H370 AromaticContact CE1-CD2 3.73Å; F366-H370 AromaticContact CE2-CD2 3.59Å; F366-H370 AromaticContact CE2-NE2 3.37Å; F366-H370 WeakPolarHBondContact CE2-NE2 3.49Å; F366-H370 AromaticContact CG-CD2 3.93Å; F366-H370 AromaticContact CZ-CD2 3.58Å; F366-H370 AromaticContact CZ-NE2 3.7Å; F366-H370 PolarHBondContact O-CD2 3.32Å; F366-H370 PolarHBondContact O-N 3.28Å; F366-H370 VanDerWaalsContact O-N 3.11Å; F366-F443 HydrophobicContact CD1-CE1 4.09Å; F366-F443 HydrophobicContact CD1-CZ 4.34Å; F366-F443 HydrophobicContact CE1-CE1 4.11Å; F366-F443 HydrophobicContact CE1-CZ 4.07Å; F366-Y444 WeakPolarHBondContact CD1-OH 3.49Å; F366-F448 HydrophobicContact CE1-CD2 4.1Å; F366-F448 AromaticContact CE1-CE2 3.69Å; F366-F448 HydrophobicContact CE1-CE2 3.69Å; F366-F448 HydrophobicContact CE1-CZ 4Å; F366-F448 AromaticContact CZ-CE2 3.84Å; F366-F448 HydrophobicContact CZ-CE2 3.84Å; F366-F448 HydrophobicContact CZ-CZ 4.16Å; F366-I455 HydrophobicContact CB-CG2 3.82Å; F366-I455 HydrophobicContact CD1-CG1 4.46Å; F366-I455 HydrophobicContact CD1-CG2 4.08Å; F366-I455 HydrophobicContact CD2-CG2 3.86Å; F366-I455 HydrophobicContact CE1-CG1 4.3Å; F366-I455 HydrophobicContact CE2-CG2 4.39Å; F366-I455 HydrophobicContact CG-CG2 3.67Å; F366-N456 WeakPolarHBondContact CD2-O 3.19Å; F366-I457 HydrophobicContact CB-CG2 3.99Å; F366-I457 HydrophobicContact CD2-CG2 4.4Å; F366-W991 AromaticContact CE2-CH2 3.97Å; F366-W991 HydrophobicContact CE2-CH2 3.97Å; F366-W991 AromaticContact CZ-CH2 3.76Å; F366-W991 HydrophobicContact CZ-CH2 3.76Å; F366-W991 AromaticContact CZ-CZ3 3.92Å; F366-W991 HydrophobicContact CZ-CZ3 3.92Å |
| 367 | Y | 96.3 | Very high | 93 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 174.2 | 170.5 | -113 | 0 | 0 | 0 | 112.3 | L334 L363 V364 I365 H370 Y371 G439 F440 F443 | L334-Y367 HydrophobicContact CD2-CD1 3.97Å; L334-Y367 HydrophobicContact CD2-CE1 4.13Å; L363-Y367 WeakPolarHBondContact O-CB 3.3Å; L363-Y367 PolarHBondContact O-N 3.04Å; V364-Y367 PolarHBondContact O-N 3.48Å; I365-Y367 PolarHBondContact O-N 2.9Å; Y367-H370 CarbonylContact O-C 3.06Å; Y367-H370 PolarHBondContact O-N 3.05Å; Y367-Y371 HydrophobicContact CE1-CD2 4.2Å; Y367-Y371 HydrophobicContact CE2-CD2 4.3Å; Y367-Y371 AromaticContact CZ-CD2 3.72Å; Y367-Y371 PolarHBondContact O-N 3.31Å; Y367-Y371 WeakPolarHBondContact OH-CD2 3.35Å; Y367-Y371 WeakPolarHBondContact OH-CE2 3.36Å; Y367-G439 VanDerWaalsContact OH-C 3.22Å; Y367-G439 WeakPolarHBondContact OH-CA 3.41Å; Y367-F440 HydrophobicContact CD1-CB 3.81Å; Y367-F440 AromaticContact CD1-CD2 3.78Å; Y367-F440 HydrophobicContact CD1-CD2 3.78Å; Y367-F440 HydrophobicContact CD1-CG 4.29Å; Y367-F440 HydrophobicContact CE1-CB 3.7Å; Y367-F440 HydrophobicContact CG-CB 4.35Å; Y367-F440 AromaticContact CG-CD2 3.89Å; Y367-F440 HydrophobicContact CG-CD2 3.89Å; Y367-F440 VanDerWaalsContact CZ-N 3.32Å; Y367-F440 PolarHBondContact OH-N 3.18Å; Y367-F443 HydrophobicContact CD2-CB 3.75Å; Y367-F443 AromaticContact CD2-CD1 3.84Å; Y367-F443 HydrophobicContact CD2-CD1 3.84Å; Y367-F443 HydrophobicContact CD2-CD2 4.06Å; Y367-F443 HydrophobicContact CD2-CE1 4.42Å; Y367-F443 AromaticContact CD2-CG 3.63Å; Y367-F443 HydrophobicContact CD2-CG 3.63Å; Y367-F443 HydrophobicContact CE2-CB 3.82Å; Y367-F443 HydrophobicContact CE2-CD2 4.34Å; Y367-F443 HydrophobicContact CE2-CG 4.08Å |
| 368 | L | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.6 | -20.3 | -178.7 | -65.6 | 171.9 | 0 | 0 | 0 | 113.8 | A331 L334 V364 I365 F366 L375 L376 L436 | A331-L368 HydrophobicContact CB-CD1 3.52Å; L334-L368 HydrophobicContact CD2-CD1 4.31Å; L334-L368 HydrophobicContact CD2-CD2 4.26Å; L334-L368 HydrophobicContact CD2-CG 4.38Å; V364-L368 HydrophobicContact CG1-CD1 3.86Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.35Å; V364-L368 PolarHBondContact O-N 2.97Å; I365-L368 PolarHBondContact O-N 3.05Å; F366-L368 VanDerWaalsContact C-N 3.33Å; F366-L368 PolarHBondContact O-N 2.71Å; L368-L375 HydrophobicContact CB-CB 4.41Å; L368-L375 HydrophobicContact CD2-CB 4.21Å; L368-L375 HydrophobicContact CD2-CD1 3.9Å; L368-L375 PolarHBondContact O-N 3.31Å; L368-L376 HydrophobicContact CB-CB 4.34Å; L368-L376 HydrophobicContact CB-CD1 3.84Å; L368-L376 HydrophobicContact CB-CG 3.92Å; L368-L376 HydrophobicContact CD1-CD1 4.07Å; L368-L376 HydrophobicContact CD1-CG 4.45Å; L368-L376 PolarHBondContact O-N 3.4Å; L368-L436 HydrophobicContact CD2-CD2 4.06Å |
| 369 | Q | 93.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.1 | -26.1 | 167.4 | -74.5 | 176.7 | -37.7 | 0 | 0 | 112.7 | Y324 I365 F366 L376 P377 | Y324-Q369 PolarHBondContact OH-NE2 2.89Å; I365-Q369 HydrophobicContact CG2-CG 4.44Å; I365-Q369 WeakPolarHBondContact O-CG 3.32Å; I365-Q369 PolarHBondContact O-N 3.27Å; F366-Q369 PolarHBondContact O-N 3.16Å; Q369-L376 HydrophobicContact CG-CB 4.16Å; Q369-P377 PolarHBondContact NE2-O 3.43Å |
| 370 | H | 92.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -111.2 | 14.4 | 179.5 | -62.1 | -58.6 | 0 | 0 | 0 | 113.9 | F366 Y367 W991 I995 | F366-H370 AromaticContact CD1-CD2 3.88Å; F366-H370 AromaticContact CD2-CD2 3.77Å; F366-H370 AromaticContact CD2-NE2 3.76Å; F366-H370 AromaticContact CE1-CD2 3.73Å; F366-H370 AromaticContact CE2-CD2 3.59Å; F366-H370 AromaticContact CE2-NE2 3.37Å; F366-H370 WeakPolarHBondContact CE2-NE2 3.49Å; F366-H370 AromaticContact CG-CD2 3.93Å; F366-H370 AromaticContact CZ-CD2 3.58Å; F366-H370 AromaticContact CZ-NE2 3.7Å; F366-H370 PolarHBondContact O-CD2 3.32Å; F366-H370 PolarHBondContact O-N 3.28Å; F366-H370 VanDerWaalsContact O-N 3.11Å; Y367-H370 CarbonylContact O-C 3.06Å; Y367-H370 PolarHBondContact O-N 3.05Å; H370-W991 AromaticContact CE1-CE2 3.53Å; H370-W991 AromaticContact CE1-CH2 3.61Å; H370-W991 AromaticContact CE1-CZ2 3.23Å; H370-W991 WeakPolarHBondContact CE1-CZ2 3.45Å; H370-W991 AromaticContact NE2-CH2 3.45Å; H370-W991 WeakPolarHBondContact NE2-CH2 3.28Å; H370-W991 AromaticContact NE2-CZ2 3.52Å; H370-I995 HydrophobicContact CB-CD1 4.05Å |
| 371 | Y | 90.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 25.8 Ų | 25.8 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -69.6 | 152.6 | 165.7 | -163.5 | -86.1 | 0 | 0 | 0 | 109.7 | Y367 P373 P374 L375 P431 L436 | Y367-Y371 HydrophobicContact CE1-CD2 4.2Å; Y367-Y371 HydrophobicContact CE2-CD2 4.3Å; Y367-Y371 AromaticContact CZ-CD2 3.72Å; Y367-Y371 PolarHBondContact O-N 3.31Å; Y367-Y371 WeakPolarHBondContact OH-CD2 3.35Å; Y367-Y371 WeakPolarHBondContact OH-CE2 3.36Å; Y371-P373 WeakPolarHBondContact CD1-O 3.41Å; Y371-P373 CarbonylContact O-C 3.1Å; Y371-P374 WeakPolarHBondContact O-CA 3.45Å; Y371-P374 VanDerWaalsContact O-CD 3.26Å; Y371-P374 WeakPolarHBondContact O-CD 3.05Å; Y371-P374 WeakPolarHBondContact O-CG 3.47Å; Y371-L375 HydrophobicContact CD1-CD1 3.78Å; Y371-L375 HydrophobicContact CD1-CG 3.91Å; Y371-L375 HydrophobicContact CD2-CD1 4.31Å; Y371-L375 HydrophobicContact CE1-CD1 4.16Å; Y371-L375 HydrophobicContact CG-CD1 3.88Å; Y371-L375 HydrophobicContact CG-CG 4.19Å; Y371-P431 HydrophobicContact CE1-CG 4.19Å; Y371-L436 HydrophobicContact CD2-CD2 3.96Å; Y371-L436 HydrophobicContact CE2-CD2 3.6Å |
| 372 | E | 85.4 | Confident | 93.2 | Very high | 174 Ų | 174 | 26 Ų | 26 | 81% | 0.813 | 14% | 0.135 | S | C | * | . | S | Bend | trans | -112 | 113.4 | 175.3 | -68.4 | -170 | 143.2 | 0 | 0 | 110.8 | ||
| 373 | P | 86 | Confident | 93 | Very high | 94 Ų | 94 | 26.3 Ų | 26.3 | 61% | 0.61 | 14% | 0.136 | S | C | * | . | S | Bend | cis | -75.1 | 153 | -8.9 | 33.4 | -35.6 | 0 | 0 | 0 | 112.5 | Y371 L375 | Y371-P373 WeakPolarHBondContact CD1-O 3.41Å; Y371-P373 CarbonylContact O-C 3.1Å; P373-L375 PolarHBondContact O-N 3.05Å |
| 374 | P | 88.6 | Confident | 92.8 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 37% | 0.37 | 15% | 0.153 | S | C | . | . | trans | -57.6 | 134.1 | -174.5 | -30.2 | 37.3 | 0 | 0 | 0 | 113.9 | Y371 Q421 | Y371-P374 WeakPolarHBondContact O-CA 3.45Å; Y371-P374 VanDerWaalsContact O-CD 3.26Å; Y371-P374 WeakPolarHBondContact O-CD 3.05Å; Y371-P374 WeakPolarHBondContact O-CG 3.47Å; P374-Q421 VanDerWaalsContact C-NE2 3.34Å; P374-Q421 PolarHBondContact O-NE2 3.21Å | ||
| 375 | L | 90.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -101.2 | -10.3 | -175.2 | -62.9 | 176.1 | 0 | 0 | 0 | 113.6 | N328 L368 Y371 P373 P422 L430 P431 L436 | N328-L375 PolarHBondContact ND2-O 2.87Å; N328-L375 VanDerWaalsContact ND2-O 3.13Å; L368-L375 HydrophobicContact CB-CB 4.41Å; L368-L375 HydrophobicContact CD2-CB 4.21Å; L368-L375 HydrophobicContact CD2-CD1 3.9Å; L368-L375 PolarHBondContact O-N 3.31Å; Y371-L375 HydrophobicContact CD1-CD1 3.78Å; Y371-L375 HydrophobicContact CD1-CG 3.91Å; Y371-L375 HydrophobicContact CD2-CD1 4.31Å; Y371-L375 HydrophobicContact CE1-CD1 4.16Å; Y371-L375 HydrophobicContact CG-CD1 3.88Å; Y371-L375 HydrophobicContact CG-CG 4.19Å; P373-L375 PolarHBondContact O-N 3.05Å; L375-P422 HydrophobicContact CD2-CG 3.61Å; L375-L430 HydrophobicContact CD2-CD2 4.18Å; L375-P431 HydrophobicContact CD1-CG 3.95Å; L375-L436 HydrophobicContact CD1-CD2 3.59Å |
| 376 | L | 92.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -131.1 | 148.5 | 166 | -68.4 | 177.4 | 0 | 0 | 0 | 109.7 | Y324 L327 N328 A331 I365 L368 Q369 Q421 | Y324-L376 HydrophobicContact CD1-CB 4.41Å; Y324-L376 HydrophobicContact CD1-CD1 3.97Å; Y324-L376 HydrophobicContact CD1-CD2 4.35Å; Y324-L376 HydrophobicContact CD1-CG 4.49Å; L327-L376 HydrophobicContact CB-CD2 4.44Å; L327-L376 HydrophobicContact CD2-CD2 4.15Å; L327-L376 HydrophobicContact CG-CD2 4.44Å; N328-L376 HydrophobicContact CB-CD2 3.9Å; A331-L376 HydrophobicContact CB-CD1 4.15Å; A331-L376 HydrophobicContact CB-CD2 4.45Å; I365-L376 HydrophobicContact CB-CD1 4.41Å; I365-L376 HydrophobicContact CG1-CD1 4.26Å; I365-L376 HydrophobicContact CG2-CD1 4.26Å; L368-L376 HydrophobicContact CB-CB 4.34Å; L368-L376 HydrophobicContact CB-CD1 3.84Å; L368-L376 HydrophobicContact CB-CG 3.92Å; L368-L376 HydrophobicContact CD1-CD1 4.07Å; L368-L376 HydrophobicContact CD1-CG 4.45Å; L368-L376 PolarHBondContact O-N 3.4Å; Q369-L376 HydrophobicContact CG-CB 4.16Å; L376-Q421 VanDerWaalsContact C-NE2 3.29Å; L376-Q421 PolarHBondContact O-NE2 3.21Å; L376-Q421 VanDerWaalsContact O-NE2 3.07Å |
| 377 | P | 92.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | trans | -85.9 | 178.2 | 173.5 | 33.4 | -32.8 | 0 | 0 | 0 | 111.3 | Y324 L327 Q369 L379 L382 I414 Q421 | Y324-P377 VanDerWaalsContact CE1-O 3.32Å; Y324-P377 WeakPolarHBondContact CE1-O 3.43Å; Y324-P377 PolarHBondContact OH-O 3.11Å; L327-P377 HydrophobicContact CD2-CG 3.85Å; Q369-P377 PolarHBondContact NE2-O 3.43Å; P377-L379 HydrophobicContact CG-CD2 3.96Å; P377-L382 HydrophobicContact CB-CD1 3.76Å; P377-L382 HydrophobicContact CB-CG 4.47Å; P377-L382 HydrophobicContact CG-CD1 4.06Å; P377-I414 HydrophobicContact CG-CG2 3.88Å; P377-Q421 VanDerWaalsContact CD-OE1 3.24Å | ||
| 378 | N | 94 | Very high | 91.1 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | trans | -95.5 | 107.7 | 163 | 179 | -31.3 | 0 | 0 | 0 | 109.4 | H380 M381 L382 V458 | N378-H380 VanDerWaalsContact C-N 3.31Å; N378-H380 PolarHBondContact O-N 2.92Å; N378-H380 PolarHBondContact OD1-N 2.9Å; N378-H380 VanDerWaalsContact OD1-N 3.11Å; N378-M381 HydrophobicContact CB-CB 3.82Å; N378-M381 HydrophobicContact CB-CE 4.49Å; N378-M381 PolarHBondContact O-N 3.2Å; N378-M381 PolarHBondContact OD1-N 2.88Å; N378-L382 WeakPolarHBondContact O-CG 3.45Å; N378-L382 PolarHBondContact O-N 3.21Å; N378-V458 VanDerWaalsContact ND2-C 3.31Å; N378-V458 PolarHBondContact ND2-O 3.15Å; N378-V458 PolarHBondContact OD1-O 2.84Å | ||
| 379 | L | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.1 | -26.1 | -173.2 | -63.9 | 177.7 | 0 | 0 | 0 | 113.4 | L320 T323 Y324 P377 Y383 F407 I414 | L320-L379 HydrophobicContact CD1-CD1 4.42Å; T323-L379 HydrophobicContact CG2-CD1 3.78Å; Y324-L379 HydrophobicContact CD1-CD1 3.93Å; Y324-L379 HydrophobicContact CD1-CG 4.3Å; Y324-L379 HydrophobicContact CD2-CD1 4.03Å; Y324-L379 HydrophobicContact CE1-CD1 3.71Å; Y324-L379 HydrophobicContact CE1-CG 3.64Å; Y324-L379 HydrophobicContact CE2-CD1 3.8Å; Y324-L379 HydrophobicContact CE2-CG 4.24Å; Y324-L379 HydrophobicContact CG-CD1 4.1Å; Y324-L379 PolarHBondContact OH-N 3.03Å; Y324-L379 VanDerWaalsContact OH-N 3.15Å; P377-L379 HydrophobicContact CG-CD2 3.96Å; L379-Y383 WeakPolarHBondContact O-CB 3.21Å; L379-Y383 PolarHBondContact O-N 3.27Å; L379-Y383 VanDerWaalsContact O-N 3.15Å; L379-F407 HydrophobicContact CB-CB 4.09Å; L379-I414 HydrophobicContact CD2-CD1 3.5Å; L379-I414 VanDerWaalsContact CD2-CD1 3.5Å; L379-I414 HydrophobicContact CD2-CG1 3.83Å; L379-I414 HydrophobicContact CD2-CG2 4.01Å |
| 380 | H | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.4 | -42.5 | 173.9 | -56 | -83.2 | 0 | 0 | 0 | 110.4 | L320 N378 Y383 R384 C405 S406 F407 V458 | L320-H380 WeakPolarHBondContact CD2-NE2 3.33Å; N378-H380 VanDerWaalsContact C-N 3.31Å; N378-H380 PolarHBondContact O-N 2.92Å; N378-H380 PolarHBondContact OD1-N 2.9Å; N378-H380 VanDerWaalsContact OD1-N 3.11Å; H380-Y383 PolarHBondContact O-N 3.47Å; H380-R384 WeakPolarHBondContact O-CB 3.41Å; H380-R384 WeakPolarHBondContact O-CD 3.45Å; H380-R384 WeakPolarHBondContact O-CG 3.31Å; H380-R384 PolarHBondContact O-N 3.49Å; H380-C405 PolarHBondContact CE1-O 3.44Å; H380-C405 PolarHBondContact ND1-O 3.3Å; H380-S406 PolarHBondContact ND1-O 2.67Å; H380-F407 AromaticContact CE1-CD1 3.91Å; H380-V458 HydrophobicContact CB-CG1 3.99Å |
| 381 | M | 92.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 173.7 | -173.3 | -178.9 | 73.7 | 0 | 0 | 111.6 | N378 Y383 R384 Q385 P460 | N378-M381 HydrophobicContact CB-CB 3.82Å; N378-M381 HydrophobicContact CB-CE 4.49Å; N378-M381 PolarHBondContact O-N 3.2Å; N378-M381 PolarHBondContact OD1-N 2.88Å; M381-Y383 PolarHBondContact O-N 3.44Å; M381-R384 PolarHBondContact O-N 2.97Å; M381-Q385 HydrophobicContact CG-CG 4.29Å; M381-Q385 WeakPolarHBondContact O-CB 3.35Å; M381-Q385 VanDerWaalsContact O-CG 3.27Å; M381-Q385 WeakPolarHBondContact O-CG 3.47Å; M381-Q385 PolarHBondContact O-N 2.82Å; M381-P460 HydrophobicContact SD-CB 4.07Å; M381-P460 HydrophobicContact SD-CG 3.96Å |
| 382 | L | 91.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.8 | -68.1 | -178.8 | 0 | 0 | 0 | 112.5 | P377 N378 Q385 H386 I408 I414 C418 | P377-L382 HydrophobicContact CB-CD1 3.76Å; P377-L382 HydrophobicContact CB-CG 4.47Å; P377-L382 HydrophobicContact CG-CD1 4.06Å; N378-L382 WeakPolarHBondContact O-CG 3.45Å; N378-L382 PolarHBondContact O-N 3.21Å; L382-Q385 PolarHBondContact O-N 2.73Å; L382-H386 WeakPolarHBondContact O-CB 3.43Å; L382-H386 PolarHBondContact O-N 2.99Å; L382-I408 HydrophobicContact CB-CD1 3.69Å; L382-I408 HydrophobicContact CB-CG1 4.42Å; L382-I414 HydrophobicContact CD1-CG2 4.27Å; L382-C418 VanDerWaalsContact CD2-SG 3.55Å |
| 383 | Y | 93.8 | Very high | 90 | Very high | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 172.6 | 165.3 | -93.8 | 0 | 0 | 0 | 111.2 | L379 H380 M381 Q385 H386 L387 I390 Y395 D404 S406 | L379-Y383 WeakPolarHBondContact O-CB 3.21Å; L379-Y383 PolarHBondContact O-N 3.27Å; L379-Y383 VanDerWaalsContact O-N 3.15Å; H380-Y383 PolarHBondContact O-N 3.47Å; M381-Y383 PolarHBondContact O-N 3.44Å; Y383-Q385 VanDerWaalsContact C-N 3.3Å; Y383-Q385 PolarHBondContact O-N 3.42Å; Y383-H386 PolarHBondContact O-N 3.08Å; Y383-L387 HydrophobicContact CD2-CD1 4.31Å; Y383-L387 HydrophobicContact CE1-CD1 4.32Å; Y383-L387 HydrophobicContact CE2-CD1 3.53Å; Y383-L387 PolarHBondContact O-N 2.69Å; Y383-I390 HydrophobicContact CD2-CD1 4.26Å; Y383-Y395 HydrophobicContact CD2-CD2 4.13Å; Y383-Y395 HydrophobicContact CD2-CG 4.13Å; Y383-Y395 AromaticContact CE2-CD2 3.58Å; Y383-Y395 HydrophobicContact CE2-CD2 3.58Å; Y383-Y395 AromaticContact CE2-CE2 3.89Å; Y383-Y395 HydrophobicContact CE2-CE2 3.89Å; Y383-Y395 AromaticContact CE2-CG 3.95Å; Y383-Y395 HydrophobicContact CE2-CG 3.95Å; Y383-D404 VanDerWaalsContact CE1-OD2 3.26Å; Y383-D404 WeakPolarHBondContact CE1-OD2 3.4Å; Y383-D404 PolarHBondContact OH-OD2 3.37Å; Y383-S406 WeakPolarHBondContact CD1-O 3.43Å; Y383-S406 VanDerWaalsContact CZ-CB 3.43Å |
| 384 | R | 92.4 | Very high | 90.3 | Very high | 97 Ų | 97 | 59 Ų | 59 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -36.7 | 177.8 | -68.3 | 164.3 | -176.5 | -178.6 | 0.2 | 112.8 | H380 M381 E459 | H380-R384 WeakPolarHBondContact O-CB 3.41Å; H380-R384 WeakPolarHBondContact O-CD 3.45Å; H380-R384 WeakPolarHBondContact O-CG 3.31Å; H380-R384 PolarHBondContact O-N 3.49Å; M381-R384 PolarHBondContact O-N 2.97Å; R384-E459 IonicContact CZ-OE1 2.83Å; R384-E459 VanDerWaalsContact CZ-OE1 3.26Å; R384-E459 VanDerWaalsContact NH1-CD 3.26Å; R384-E459 IonicContact NH1-OE1 2.64Å; R384-E459 PolarHBondContact NH1-OE1 3.03Å; R384-E459 IonicContact NH1-OE2 2.69Å; R384-E459 PolarHBondContact NH1-OE2 3.05Å; R384-E459 IonicContact NH2-OE1 2.92Å; R384-E459 PolarHBondContact NH2-OE1 3.21Å |
| 385 | Q | 90.4 | Very high | 90.6 | Very high | 112 Ų | 112 | 58.9 Ų | 58.9 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -81.8 | -20.3 | -178.1 | -74.3 | 174 | -12.7 | 0 | 0 | 114.3 | M381 L382 Y383 | M381-Q385 HydrophobicContact CG-CG 4.29Å; M381-Q385 WeakPolarHBondContact O-CB 3.35Å; M381-Q385 VanDerWaalsContact O-CG 3.27Å; M381-Q385 WeakPolarHBondContact O-CG 3.47Å; M381-Q385 PolarHBondContact O-N 2.82Å; L382-Q385 PolarHBondContact O-N 2.73Å; Y383-Q385 VanDerWaalsContact C-N 3.3Å; Y383-Q385 PolarHBondContact O-N 3.42Å |
| 386 | H | 90 | Very high | 90.7 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -128.5 | 14.6 | -171.5 | -61.1 | -37.2 | 0 | 0 | 0 | 114.5 | L382 Y383 D388 K389 I390 | L382-H386 WeakPolarHBondContact O-CB 3.43Å; L382-H386 PolarHBondContact O-N 2.99Å; Y383-H386 PolarHBondContact O-N 3.08Å; H386-D388 VanDerWaalsContact C-N 3.27Å; H386-D388 PolarHBondContact O-N 3.21Å; H386-D388 VanDerWaalsContact O-N 3.11Å; H386-K389 WeakPolarHBondContact O-CA 3.4Å; H386-K389 WeakPolarHBondContact O-CB 3.35Å; H386-K389 PolarHBondContact O-N 3.31Å; H386-I390 HydrophobicContact CB-CD1 3.98Å; H386-I390 HydrophobicContact CB-CG1 4.13Å; H386-I390 WeakPolarHBondContact O-CD1 3.49Å; H386-I390 WeakPolarHBondContact O-CG1 3.45Å; H386-I390 PolarHBondContact O-N 3.49Å |
| 387 | L | 86.6 | Confident | 90.7 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 45% | 0.45 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -42 | -48.9 | -179.4 | -172.4 | 61.6 | 0 | 0 | 0 | 113.8 | Y383 K389 | Y383-L387 HydrophobicContact CD2-CD1 4.31Å; Y383-L387 HydrophobicContact CE1-CD1 4.32Å; Y383-L387 HydrophobicContact CE2-CD1 3.53Å; Y383-L387 PolarHBondContact O-N 2.69Å; L387-K389 PolarHBondContact O-N 2.92Å |
| 388 | D | 85.7 | Confident | 90.6 | Very high | 167 Ų | 167 | 65.5 Ų | 65.5 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -65.5 | -9 | -179.8 | -55.7 | -32.5 | 0 | 0 | 0 | 115 | H386 | H386-D388 VanDerWaalsContact C-N 3.27Å; H386-D388 PolarHBondContact O-N 3.21Å; H386-D388 VanDerWaalsContact O-N 3.11Å |
| 389 | K | 85 | Confident | 90.2 | Very high | 160 Ų | 160 | 69.8 Ų | 69.8 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -121.7 | -10.1 | -171.4 | -59.7 | 179.5 | -178.2 | 175.8 | 0 | 113.9 | H386 L387 | H386-K389 WeakPolarHBondContact O-CA 3.4Å; H386-K389 WeakPolarHBondContact O-CB 3.35Å; H386-K389 PolarHBondContact O-N 3.31Å; L387-K389 PolarHBondContact O-N 2.92Å |
| 390 | I | 87 | Confident | 89.5 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -89.8 | 126.7 | -176.4 | -61.6 | 156 | 0 | 0 | 0 | 109.3 | Y383 H386 Y395 I408 L413 | Y383-I390 HydrophobicContact CD2-CD1 4.26Å; H386-I390 HydrophobicContact CB-CD1 3.98Å; H386-I390 HydrophobicContact CB-CG1 4.13Å; H386-I390 WeakPolarHBondContact O-CD1 3.49Å; H386-I390 WeakPolarHBondContact O-CG1 3.45Å; H386-I390 PolarHBondContact O-N 3.49Å; I390-Y395 HydrophobicContact CG2-CD1 3.79Å; I390-Y395 HydrophobicContact CG2-CG 4.44Å; I390-I408 HydrophobicContact CD1-CD1 3.69Å; I390-I408 HydrophobicContact CD1-CG1 3.92Å; I390-I408 HydrophobicContact CG1-CD1 4.18Å; I390-L413 HydrophobicContact CB-CD2 4.36Å; I390-L413 HydrophobicContact CG1-CD2 4.18Å; I390-L413 HydrophobicContact CG2-CD2 3.85Å |
| 391 | P | 89.2 | Confident | 88.3 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | trans | -61.5 | 148 | 172.9 | -22.5 | 33.2 | 0 | 0 | 0 | 112.7 | N393 S394 | P391-N393 PolarHBondContact O-N 2.89Å; P391-S394 WeakPolarHBondContact O-CB 3.4Å; P391-S394 PolarHBondContact O-N 3.29Å | ||
| 392 | E | 83.8 | Confident | 87.3 | Confident | 167 Ų | 167 | 78.8 Ų | 78.8 | 78% | 0.78 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.4 | -179.2 | -66.4 | -178.4 | 145.4 | 0 | 0 | 114.3 | ||
| 393 | N | 87.5 | Confident | 86.8 | Confident | 156 Ų | 156 | 81.8 Ų | 81.8 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -6.5 | 179.2 | -64.2 | -47.3 | 0 | 0 | 0 | 114.1 | P391 | P391-N393 PolarHBondContact O-N 2.89Š|
| 394 | S | 93.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 84 Ų | 84 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -96.1 | -6.2 | -172.8 | -65.8 | 0 | 0 | 0 | 0 | 113.8 | P391 I408 T409 D410 | P391-S394 WeakPolarHBondContact O-CB 3.4Å; P391-S394 PolarHBondContact O-N 3.29Å; S394-I408 WeakPolarHBondContact O-CG2 3.39Å; S394-T409 PolarHBondContact O-N 3.43Å; S394-D410 PolarHBondContact O-N 3.33Å; S394-D410 PolarHBondContact OG-OD2 2.82Å |
| 395 | Y | 93.6 | Very high | 86.3 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 22% | 0.216 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 164.9 | 173.8 | 70.1 | -85.9 | 0 | 0 | 0 | 112.5 | Y383 I390 Q397 F407 | Y383-Y395 HydrophobicContact CD2-CD2 4.13Å; Y383-Y395 HydrophobicContact CD2-CG 4.13Å; Y383-Y395 AromaticContact CE2-CD2 3.58Å; Y383-Y395 HydrophobicContact CE2-CD2 3.58Å; Y383-Y395 AromaticContact CE2-CE2 3.89Å; Y383-Y395 HydrophobicContact CE2-CE2 3.89Å; Y383-Y395 AromaticContact CE2-CG 3.95Å; Y383-Y395 HydrophobicContact CE2-CG 3.95Å; I390-Y395 HydrophobicContact CG2-CD1 3.79Å; I390-Y395 HydrophobicContact CG2-CG 4.44Å; Y395-Q397 HydrophobicContact CD2-CB 4.37Å; Y395-Q397 HydrophobicContact CE2-CB 3.97Å; Y395-Q397 HydrophobicContact CE2-CG 4.48Å; Y395-F407 CarbonylContact C-O 3.57Å; Y395-F407 WeakPolarHBondContact CA-O 3.48Å; Y395-F407 WeakPolarHBondContact CB-O 3.41Å |
| 396 | H | 93.8 | Very high | 86.5 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 13% | 0.134 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.8 | 171.6 | -173.2 | 71.2 | 0 | 0 | 0 | 109.4 | D316 K319 V398 S406 F407 T409 | D316-H396 IonicContact OD1-CD2 3.25Å; D316-H396 IonicContact OD1-CE1 2.74Å; D316-H396 IonicContact OD1-NE2 3.19Å; D316-H396 PolarHBondContact OD1-NE2 3.26Å; K319-H396 HydrophobicContact CD-CB 4.34Å; K319-H396 PolarHBondContact NZ-ND1 2.85Å; H396-V398 VanDerWaalsContact CD2-CG2 3.41Å; H396-V398 WeakPolarHBondContact CD2-CG2 3.37Å; H396-S406 WeakPolarHBondContact O-CA 3.46Å; H396-S406 VanDerWaalsContact O-CB 3.31Å; H396-S406 WeakPolarHBondContact O-CB 3.32Å; H396-F407 HydrophobicContact CB-CD2 4.46Å; H396-F407 HydrophobicContact CB-CE1 4.14Å; H396-F407 HydrophobicContact CB-CE2 4.08Å; H396-F407 HydrophobicContact CB-CZ 3.9Å; H396-F407 AromaticContact CD2-CE1 3.6Å; H396-F407 AromaticContact CD2-CZ 3.64Å; H396-F407 PolarHBondContact N-O 2.93Å; H396-F407 PolarHBondContact O-N 3.16Å; H396-T409 HydrophobicContact CB-CG2 3.68Å |
| 397 | Q | 92.3 | Very high | 86.8 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | trans | -80.6 | 124.2 | -176.8 | -170.1 | 170.7 | 59.8 | 0 | 0 | 111.3 | Y395 L399 S406 | Y395-Q397 HydrophobicContact CD2-CB 4.37Å; Y395-Q397 HydrophobicContact CE2-CB 3.97Å; Y395-Q397 HydrophobicContact CE2-CG 4.48Å; Q397-L399 HydrophobicContact CG-CD1 4.15Å; Q397-L399 HydrophobicContact CG-CG 4Å; Q397-S406 VanDerWaalsContact CA-OG 3.32Å; Q397-S406 WeakPolarHBondContact CA-OG 3.43Å | ||
| 398 | V | 89.5 | Confident | 87.2 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | trans | -136.8 | 115.5 | 173.8 | -159.6 | 0 | 0 | 0 | 0 | 109.3 | Y313 D316 H396 P400 C405 S406 F407 F480 | Y313-V398 HydrophobicContact CD1-CG1 4.07Å; Y313-V398 HydrophobicContact CE1-CG1 4.33Å; D316-V398 HydrophobicContact CB-CG1 4.41Å; D316-V398 HydrophobicContact CB-CG2 4.09Å; H396-V398 VanDerWaalsContact CD2-CG2 3.41Å; H396-V398 WeakPolarHBondContact CD2-CG2 3.37Å; V398-P400 VanDerWaalsContact C-CD 3.49Å; V398-P400 WeakPolarHBondContact O-CD 3.46Å; V398-C405 CarbonylContact O-C 3.59Å; V398-C405 PolarHBondContact O-N 3.39Å; V398-S406 PolarHBondContact N-OG 3.45Å; V398-S406 PolarHBondContact O-N 2.93Å; V398-S406 PolarHBondContact O-OG 3.04Å; V398-F407 HydrophobicContact CG2-CD1 4.4Å; V398-F407 HydrophobicContact CG2-CE1 3.94Å; V398-F480 HydrophobicContact CB-CD1 3.91Å; V398-F480 HydrophobicContact CB-CE1 3.79Å; V398-F480 HydrophobicContact CG1-CD1 3.53Å; V398-F480 HydrophobicContact CG1-CE1 3.87Å; V398-F480 HydrophobicContact CG1-CG 4.34Å; V398-F480 HydrophobicContact CG2-CD1 4.25Å; V398-F480 HydrophobicContact CG2-CE1 3.7Å; V398-F480 HydrophobicContact CG2-CZ 4.4Å | ||
| 399 | L | 86.9 | Confident | 87.6 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 55% | 0.55 | 32% | 0.32 | S | S | . | . | trans | -120.3 | 78.2 | -175.3 | -61 | 174.8 | 0 | 0 | 0 | 111 | Q397 D404 | Q397-L399 HydrophobicContact CG-CD1 4.15Å; Q397-L399 HydrophobicContact CG-CG 4Å; L399-D404 HydrophobicContact CD2-CB 3.92Å | ||
| 400 | P | 78.9 | Confident | 88 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | trans | -59.9 | 159.8 | 166.8 | -22.2 | 34.5 | 0 | 0 | 0 | 112.2 | Y313 V398 N402 T403 C405 F480 | Y313-P400 HydrophobicContact CE1-CG 4.4Å; V398-P400 VanDerWaalsContact C-CD 3.49Å; V398-P400 WeakPolarHBondContact O-CD 3.46Å; P400-N402 PolarHBondContact O-N 2.94Å; P400-T403 WeakPolarHBondContact CD-O 3.19Å; P400-T403 PolarHBondContact O-N 3.13Å; P400-T403 VanDerWaalsContact O-O 3.08Å; P400-C405 HydrophobicContact CG-CB 4.22Å; P400-F480 HydrophobicContact CG-CB 4.46Å; P400-F480 WeakPolarHBondContact CG-O 3.34Å | ||
| 401 | P | 69.7 | Low | 88.2 | Confident | 68 Ų | 68 | 58 Ų | 58 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 114.9 | 178.8 | -28.8 | 38.5 | 0 | 0 | 0 | 112.7 | E164 | E164-P401 WeakPolarHBondContact OE1-CD 3.31Å; E164-P401 WeakPolarHBondContact OE1-CG 3.4Å |
| 402 | N | 71.8 | Confident | 88.1 | Confident | 165 Ų | 165 | 59.1 Ų | 59.1 | 88% | 0.882 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 14.5 | 178.2 | -38.7 | -83.5 | 0 | 0 | 0 | 116.7 | P400 | P400-N402 PolarHBondContact O-N 2.94Š|
| 403 | T | 81.4 | Confident | 88.5 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | trans | -146.8 | 142.2 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | P400 | P400-T403 WeakPolarHBondContact CD-O 3.19Å; P400-T403 PolarHBondContact O-N 3.13Å; P400-T403 VanDerWaalsContact O-O 3.08Å | ||
| 404 | D | 88.3 | Confident | 88.6 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | trans | -93.1 | 113 | 166.2 | -171.1 | -7.3 | 0 | 0 | 0 | 109.4 | Y383 L399 S406 | Y383-D404 VanDerWaalsContact CE1-OD2 3.26Å; Y383-D404 WeakPolarHBondContact CE1-OD2 3.4Å; Y383-D404 PolarHBondContact OH-OD2 3.37Å; L399-D404 HydrophobicContact CD2-CB 3.92Å; D404-S406 WeakPolarHBondContact OD1-CB 3.31Å; D404-S406 PolarHBondContact OD1-N 3.37Å; D404-S406 PolarHBondContact OD1-OG 3Å | ||
| 405 | C | 88.7 | Confident | 88.4 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | trans | -109.2 | 14.9 | 178.8 | -70.7 | 0 | 0 | 0 | 0 | 112 | H380 V398 P400 F480 | H380-C405 PolarHBondContact CE1-O 3.44Å; H380-C405 PolarHBondContact ND1-O 3.3Å; V398-C405 CarbonylContact O-C 3.59Å; V398-C405 PolarHBondContact O-N 3.39Å; P400-C405 HydrophobicContact CG-CB 4.22Å; C405-F480 HydrophobicContact CB-CD1 3.66Å; C405-F480 HydrophobicContact CB-CE1 3.93Å; C405-F480 WeakPolarHBondContact O-CE1 3.4Å | ||
| 406 | S | 94 | Very high | 88 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | trans | -59.6 | 157.6 | 177.7 | -51 | 0 | 0 | 0 | 0 | 112.5 | H380 Y383 H396 Q397 V398 D404 | H380-S406 PolarHBondContact ND1-O 2.67Å; Y383-S406 WeakPolarHBondContact CD1-O 3.43Å; Y383-S406 VanDerWaalsContact CZ-CB 3.43Å; H396-S406 WeakPolarHBondContact O-CA 3.46Å; H396-S406 VanDerWaalsContact O-CB 3.31Å; H396-S406 WeakPolarHBondContact O-CB 3.32Å; Q397-S406 VanDerWaalsContact CA-OG 3.32Å; Q397-S406 WeakPolarHBondContact CA-OG 3.43Å; V398-S406 PolarHBondContact N-OG 3.45Å; V398-S406 PolarHBondContact O-N 2.93Å; V398-S406 PolarHBondContact O-OG 3.04Å; D404-S406 WeakPolarHBondContact OD1-CB 3.31Å; D404-S406 PolarHBondContact OD1-N 3.37Å; D404-S406 PolarHBondContact OD1-OG 3Å | ||
| 407 | F | 95.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.9 | -174.4 | 56.8 | -84.7 | 0 | 0 | 0 | 112.4 | K319 L320 L379 H380 Y395 H396 V398 T409 F480 | K319-F407 HydrophobicContact CB-CZ 4.43Å; K319-F407 HydrophobicContact CG-CZ 4.49Å; L320-F407 HydrophobicContact CB-CE1 4.12Å; L320-F407 HydrophobicContact CB-CE2 3.98Å; L320-F407 HydrophobicContact CB-CZ 3.73Å; L320-F407 HydrophobicContact CD1-CB 4.1Å; L320-F407 HydrophobicContact CD1-CD1 3.95Å; L320-F407 HydrophobicContact CD1-CD2 3.54Å; L320-F407 HydrophobicContact CD1-CE1 4.19Å; L320-F407 HydrophobicContact CD1-CE2 3.8Å; L320-F407 HydrophobicContact CD1-CG 3.61Å; L320-F407 HydrophobicContact CD1-CZ 4.12Å; L379-F407 HydrophobicContact CB-CB 4.09Å; H380-F407 AromaticContact CE1-CD1 3.91Å; Y395-F407 CarbonylContact C-O 3.57Å; Y395-F407 WeakPolarHBondContact CA-O 3.48Å; Y395-F407 WeakPolarHBondContact CB-O 3.41Å; H396-F407 HydrophobicContact CB-CD2 4.46Å; H396-F407 HydrophobicContact CB-CE1 4.14Å; H396-F407 HydrophobicContact CB-CE2 4.08Å; H396-F407 HydrophobicContact CB-CZ 3.9Å; H396-F407 AromaticContact CD2-CE1 3.6Å; H396-F407 AromaticContact CD2-CZ 3.64Å; H396-F407 PolarHBondContact N-O 2.93Å; H396-F407 PolarHBondContact O-N 3.16Å; V398-F407 HydrophobicContact CG2-CD1 4.4Å; V398-F407 HydrophobicContact CG2-CE1 3.94Å; F407-T409 HydrophobicContact CD2-CG2 3.57Å; F407-T409 HydrophobicContact CE2-CG2 3.36Å; F407-T409 HydrophobicContact CZ-CG2 4.35Å; F407-F480 HydrophobicContact CD1-CE1 4.25Å; F407-F480 HydrophobicContact CD1-CZ 4.05Å; F407-F480 HydrophobicContact CE1-CE1 4.06Å; F407-F480 AromaticContact CE1-CZ 3.62Å; F407-F480 HydrophobicContact CE1-CZ 3.62Å |
| 408 | I | 95 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 136.7 | 175 | -47.4 | -173.2 | 0 | 0 | 0 | 109.5 | L382 I390 S394 D410 L413 I414 L417 | L382-I408 HydrophobicContact CB-CD1 3.69Å; L382-I408 HydrophobicContact CB-CG1 4.42Å; I390-I408 HydrophobicContact CD1-CD1 3.69Å; I390-I408 HydrophobicContact CD1-CG1 3.92Å; I390-I408 HydrophobicContact CG1-CD1 4.18Å; S394-I408 WeakPolarHBondContact O-CG2 3.39Å; I408-D410 HydrophobicContact CG2-CB 4.49Å; I408-L413 HydrophobicContact CG2-CD2 4.23Å; I408-I414 HydrophobicContact CB-CD1 4.24Å; I408-I414 HydrophobicContact CB-CG1 3.95Å; I408-I414 HydrophobicContact CG2-CD1 4.06Å; I408-I414 HydrophobicContact CG2-CG1 3.62Å; I408-L417 HydrophobicContact CD1-CD1 3.57Å |
| 409 | T | 94.3 | Very high | 86.5 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 18% | 0.184 | 28% | 0.284 | C | S | . | . | trans | -120.6 | -9.5 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | T323 S394 H396 F407 I411 | T323-T409 HydrophobicContact CG2-CG2 4.37Å; S394-T409 PolarHBondContact O-N 3.43Å; H396-T409 HydrophobicContact CB-CG2 3.68Å; F407-T409 HydrophobicContact CD2-CG2 3.57Å; F407-T409 HydrophobicContact CE2-CG2 3.36Å; F407-T409 HydrophobicContact CZ-CG2 4.35Å; T409-I411 PolarHBondContact O-N 3.35Å | ||
| 410 | D | 93.4 | Very high | 85.6 | Confident | 56 Ų | 56 | 56 Ų | 56 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -78.7 | 100.3 | 173.2 | -177.4 | -16.5 | 0 | 0 | 0 | 110.6 | S394 I408 E412 L413 I414 | S394-D410 PolarHBondContact O-N 3.33Å; S394-D410 PolarHBondContact OG-OD2 2.82Å; I408-D410 HydrophobicContact CG2-CB 4.49Å; D410-E412 PolarHBondContact O-N 2.89Å; D410-E412 PolarHBondContact OD1-N 3.02Å; D410-E412 VanDerWaalsContact OD1-N 3.15Å; D410-L413 HydrophobicContact CB-CB 3.78Å; D410-L413 VanDerWaalsContact CG-CB 3.48Å; D410-L413 WeakPolarHBondContact O-CB 3.25Å; D410-L413 PolarHBondContact O-N 3.02Å; D410-L413 VanDerWaalsContact O-N 3.11Å; D410-L413 PolarHBondContact OD1-N 2.95Å; D410-I414 WeakPolarHBondContact O-CD1 3.45Å; D410-I414 VanDerWaalsContact O-CG1 3.31Å; D410-I414 WeakPolarHBondContact O-CG1 3.43Å; D410-I414 PolarHBondContact O-N 2.68Å | ||
| 411 | I | 91 | Very high | 85.1 | Confident | 45 Ų | 45 | 56.9 Ų | 56.9 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.4 | -37.9 | -178.8 | -66 | 167.6 | 0 | 0 | 0 | 111.6 | N326 L327 T409 I414 R415 | N326-I411 HydrophobicContact CB-CD1 3.83Å; L327-I411 HydrophobicContact CD1-CG2 3.98Å; T409-I411 PolarHBondContact O-N 3.35Å; I411-I414 PolarHBondContact O-N 3.12Å; I411-R415 WeakPolarHBondContact O-CB 3.47Å; I411-R415 VanDerWaalsContact O-CG 3.25Å; I411-R415 WeakPolarHBondContact O-CG 3.39Å; I411-R415 PolarHBondContact O-N 3.03Å |
| 412 | E | 88.7 | Confident | 84.9 | Confident | 95 Ų | 95 | 55 Ų | 55 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.5 | -22.8 | -179 | -69.4 | -60.5 | 118.4 | 0 | 0 | 112.7 | D410 R415 K416 | D410-E412 PolarHBondContact O-N 2.89Å; D410-E412 PolarHBondContact OD1-N 3.02Å; D410-E412 VanDerWaalsContact OD1-N 3.15Å; E412-R415 WeakPolarHBondContact OE1-CD 3.43Å; E412-R415 IonicContact OE1-CZ 2.84Å; E412-R415 IonicContact OE1-NE 3.78Å; E412-R415 IonicContact OE1-NH1 3.37Å; E412-R415 PolarHBondContact OE1-NH1 3.08Å; E412-K416 VanDerWaalsContact O-CD 3.23Å; E412-K416 WeakPolarHBondContact O-CD 3.42Å; E412-K416 WeakPolarHBondContact O-CE 2.88Å; E412-K416 VanDerWaalsContact O-CG 3.26Å; E412-K416 WeakPolarHBondContact O-CG 3.41Å |
| 413 | L | 91.3 | Very high | 84.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.7 | -44.7 | 166.5 | -177.6 | 59.9 | 0 | 0 | 0 | 111.2 | I390 I408 D410 R415 K416 L417 | I390-L413 HydrophobicContact CB-CD2 4.36Å; I390-L413 HydrophobicContact CG1-CD2 4.18Å; I390-L413 HydrophobicContact CG2-CD2 3.85Å; I408-L413 HydrophobicContact CG2-CD2 4.23Å; D410-L413 HydrophobicContact CB-CB 3.78Å; D410-L413 VanDerWaalsContact CG-CB 3.48Å; D410-L413 WeakPolarHBondContact O-CB 3.25Å; D410-L413 PolarHBondContact O-N 3.02Å; D410-L413 VanDerWaalsContact O-N 3.11Å; D410-L413 PolarHBondContact OD1-N 2.95Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 2.87Å; L413-K416 PolarHBondContact O-N 2.57Å; L413-L417 HydrophobicContact CD1-CD1 4.15Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 HydrophobicContact CD2-CD1 4.49Å; L413-L417 HydrophobicContact CG-CD1 3.84Å; L413-L417 HydrophobicContact CG-CG 4.31Å; L413-L417 WeakPolarHBondContact O-CG 3.45Å; L413-L417 PolarHBondContact O-N 3.14Å |
| 414 | I | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 177.7 | -64.3 | 155.8 | 0 | 0 | 0 | 110.5 | T323 L327 P377 L379 L382 I408 D410 I411 K416 L417 C418 | T323-I414 HydrophobicContact CG2-CD1 4.34Å; L327-I414 HydrophobicContact CD1-CB 4.21Å; L327-I414 HydrophobicContact CD1-CG2 3.83Å; L327-I414 HydrophobicContact CD2-CG2 3.76Å; L327-I414 HydrophobicContact CG-CG2 4.48Å; P377-I414 HydrophobicContact CG-CG2 3.88Å; L379-I414 HydrophobicContact CD2-CD1 3.5Å; L379-I414 VanDerWaalsContact CD2-CD1 3.5Å; L379-I414 HydrophobicContact CD2-CG1 3.83Å; L379-I414 HydrophobicContact CD2-CG2 4.01Å; L382-I414 HydrophobicContact CD1-CG2 4.27Å; I408-I414 HydrophobicContact CB-CD1 4.24Å; I408-I414 HydrophobicContact CB-CG1 3.95Å; I408-I414 HydrophobicContact CG2-CD1 4.06Å; I408-I414 HydrophobicContact CG2-CG1 3.62Å; D410-I414 WeakPolarHBondContact O-CD1 3.45Å; D410-I414 VanDerWaalsContact O-CG1 3.31Å; D410-I414 WeakPolarHBondContact O-CG1 3.43Å; D410-I414 PolarHBondContact O-N 2.68Å; I411-I414 PolarHBondContact O-N 3.12Å; I414-K416 PolarHBondContact O-N 2.85Å; I414-L417 PolarHBondContact O-N 3.49Å; I414-L417 VanDerWaalsContact O-N 3.13Å; I414-C418 PolarHBondContact O-N 3.22Å; I414-C418 VanDerWaalsContact O-N 3.12Å |
| 415 | R | 87.3 | Confident | 81.2 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58 | -29.9 | 175.7 | -74.3 | 169.4 | 175.5 | 164.9 | 0.6 | 113.9 | L327 I411 E412 L413 Y423 | L327-R415 HydrophobicContact CD1-CG 4.18Å; L327-R415 PolarHBondContact O-NH2 3.01Å; I411-R415 WeakPolarHBondContact O-CB 3.47Å; I411-R415 VanDerWaalsContact O-CG 3.25Å; I411-R415 WeakPolarHBondContact O-CG 3.39Å; I411-R415 PolarHBondContact O-N 3.03Å; E412-R415 WeakPolarHBondContact OE1-CD 3.43Å; E412-R415 IonicContact OE1-CZ 2.84Å; E412-R415 IonicContact OE1-NE 3.78Å; E412-R415 IonicContact OE1-NH1 3.37Å; E412-R415 PolarHBondContact OE1-NH1 3.08Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 2.87Å; R415-Y423 HydrophobicContact CB-CD2 4.19Å; R415-Y423 HydrophobicContact CB-CE2 4.38Å; R415-Y423 HydrophobicContact CG-CD2 3.63Å; R415-Y423 HydrophobicContact CG-CE2 4.08Å; R415-Y423 HydrophobicContact CG-CG 3.89Å |
| 416 | K | 86.8 | Confident | 79.2 | Confident | 150 Ų | 150 | 54.6 Ų | 54.6 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -85.4 | -26.9 | 176.8 | -71.7 | 166.7 | -169.5 | 154.8 | 0 | 113.8 | E412 L413 I414 | E412-K416 VanDerWaalsContact O-CD 3.23Å; E412-K416 WeakPolarHBondContact O-CD 3.42Å; E412-K416 WeakPolarHBondContact O-CE 2.88Å; E412-K416 VanDerWaalsContact O-CG 3.26Å; E412-K416 WeakPolarHBondContact O-CG 3.41Å; L413-K416 PolarHBondContact O-N 2.57Å; I414-K416 PolarHBondContact O-N 2.85Å |
| 417 | L | 87.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -79.3 | -28.2 | 178.6 | -68.6 | 171 | 0 | 0 | 0 | 112.2 | I408 L413 I414 | I408-L417 HydrophobicContact CD1-CD1 3.57Å; L413-L417 HydrophobicContact CD1-CD1 4.15Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 HydrophobicContact CD2-CD1 4.49Å; L413-L417 HydrophobicContact CG-CD1 3.84Å; L413-L417 HydrophobicContact CG-CG 4.31Å; L413-L417 WeakPolarHBondContact O-CG 3.45Å; L413-L417 PolarHBondContact O-N 3.14Å; I414-L417 PolarHBondContact O-N 3.49Å; I414-L417 VanDerWaalsContact O-N 3.13Å |
| 418 | C | 83.3 | Confident | 75.2 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | trans | -127.2 | 62.4 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | L382 I414 D420 Q421 Y423 | L382-C418 VanDerWaalsContact CD2-SG 3.55Å; I414-C418 PolarHBondContact O-N 3.22Å; I414-C418 VanDerWaalsContact O-N 3.12Å; C418-D420 PolarHBondContact O-N 3.21Å; C418-D420 VanDerWaalsContact O-N 3.11Å; C418-Q421 PolarHBondContact O-N 3.49Å; C418-Q421 VanDerWaalsContact O-N 3.15Å; C418-Y423 WeakPolarHBondContact CB-OH 3.49Å; C418-Y423 VanDerWaalsContact O-CE2 3.28Å; C418-Y423 WeakPolarHBondContact O-CE2 3.49Å | ||
| 419 | P | 72.6 | Confident | 73.8 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.2 | -171.8 | 28.6 | -37 | 0 | 0 | 0 | 114.2 | Q421 | P419-Q421 VanDerWaalsContact C-N 3.33Š|
| 420 | D | 68.5 | Low | 73 | Confident | 156 Ų | 156 | 72 Ų | 72 | 83% | 0.834 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -9.9 | -179.6 | -49.5 | -65.2 | 0 | 0 | 0 | 113.6 | C418 | C418-D420 PolarHBondContact O-N 3.21Å; C418-D420 VanDerWaalsContact O-N 3.11Å |
| 421 | Q | 68.9 | Low | 72.7 | Confident | 30 Ų | 30 | 70.5 Ų | 70.5 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -84.6 | 133.8 | 173.8 | -75.7 | -164.3 | -46.7 | 0 | 0 | 111.5 | P374 L376 P377 C418 P419 Y423 | P374-Q421 VanDerWaalsContact C-NE2 3.34Å; P374-Q421 PolarHBondContact O-NE2 3.21Å; L376-Q421 VanDerWaalsContact C-NE2 3.29Å; L376-Q421 PolarHBondContact O-NE2 3.21Å; L376-Q421 VanDerWaalsContact O-NE2 3.07Å; P377-Q421 VanDerWaalsContact CD-OE1 3.24Å; C418-Q421 PolarHBondContact O-N 3.49Å; C418-Q421 VanDerWaalsContact O-N 3.15Å; P419-Q421 VanDerWaalsContact C-N 3.33Å; Q421-Y423 HydrophobicContact CB-CD2 4.39Å; Q421-Y423 HydrophobicContact CB-CE1 4Å; Q421-Y423 HydrophobicContact CB-CE2 3.74Å; Q421-Y423 WeakPolarHBondContact O-CD2 3.06Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.42Å; Q421-Y423 PolarHBondContact O-N 2.76Å; Q421-Y423 VanDerWaalsContact O-N 3.08Å; Q421-Y423 PolarHBondContact OE1-OH 3.28Å |
| 422 | P | 63.4 | Low | 72.7 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | trans | -82.2 | 91.5 | -175 | 33.8 | -36 | 0 | 0 | 0 | 112.2 | L375 L430 | L375-P422 HydrophobicContact CD2-CG 3.61Å; P422-L430 HydrophobicContact CB-CD1 4.28Å; P422-L430 HydrophobicContact CB-CD2 3.75Å; P422-L430 HydrophobicContact CB-CG 3.85Å; P422-L430 HydrophobicContact CG-CD2 3.72Å; P422-L430 HydrophobicContact CG-CG 4.28Å | ||
| 423 | Y | 61.6 | Low | 72.9 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | trans | -88.8 | -1.9 | -177.6 | -58.6 | -68.4 | 0 | 0 | 0 | 116.3 | L327 R415 C418 Q421 | L327-Y423 HydrophobicContact CD1-CD1 3.83Å; L327-Y423 HydrophobicContact CD1-CE1 3.8Å; L327-Y423 HydrophobicContact CD1-CG 4.5Å; L327-Y423 HydrophobicContact CD2-CD1 4.41Å; L327-Y423 HydrophobicContact CD2-CE1 3.83Å; L327-Y423 HydrophobicContact CG-CD1 3.81Å; L327-Y423 HydrophobicContact CG-CE1 3.73Å; R415-Y423 HydrophobicContact CB-CD2 4.19Å; R415-Y423 HydrophobicContact CB-CE2 4.38Å; R415-Y423 HydrophobicContact CG-CD2 3.63Å; R415-Y423 HydrophobicContact CG-CE2 4.08Å; R415-Y423 HydrophobicContact CG-CG 3.89Å; C418-Y423 WeakPolarHBondContact CB-OH 3.49Å; C418-Y423 VanDerWaalsContact O-CE2 3.28Å; C418-Y423 WeakPolarHBondContact O-CE2 3.49Å; Q421-Y423 HydrophobicContact CB-CD2 4.39Å; Q421-Y423 HydrophobicContact CB-CE1 4Å; Q421-Y423 HydrophobicContact CB-CE2 3.74Å; Q421-Y423 WeakPolarHBondContact O-CD2 3.06Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.42Å; Q421-Y423 PolarHBondContact O-N 2.76Å; Q421-Y423 VanDerWaalsContact O-N 3.08Å; Q421-Y423 PolarHBondContact OE1-OH 3.28Å | ||
| 424 | S | 54.8 | Low | 73.2 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139 | 133 | -172.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | S426 S427 L430 | S424-S426 PolarHBondContact O-N 2.84Å; S424-S426 PolarHBondContact OG-OG 2.73Å; S424-S427 PolarHBondContact O-N 3.47Å; S424-L430 WeakPolarHBondContact O-CD1 3.35Å |
| 425 | S | 48.8 | Very low | 73.3 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 2 | 178.1 | -43.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 426 | S | 47.2 | Very low | 73.7 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5.9 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | S424 | S424-S426 PolarHBondContact O-N 2.84Å; S424-S426 PolarHBondContact OG-OG 2.73Å |
| 427 | S | 52.2 | Low | 74.2 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -107.4 | 135.3 | 169.4 | 77.7 | 0 | 0 | 0 | 0 | 111 | S424 N429 | S424-S427 PolarHBondContact O-N 3.47Å; S427-N429 PolarHBondContact O-N 3.34Å |
| 428 | N | 51.6 | Low | 74.6 | Confident | 165 Ų | 165 | 53.8 Ų | 53.8 | 88% | 0.882 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 5.6 | -172.5 | -66.3 | -6.7 | 0 | 0 | 0 | 114.7 | ||
| 429 | N | 66.6 | Low | 75.1 | Confident | 151 Ų | 151 | 53.4 Ų | 53.4 | 81% | 0.807 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 4.6 | -171 | -67.1 | 8.3 | 0 | 0 | 0 | 113.6 | S427 | S427-N429 PolarHBondContact O-N 3.34Š|
| 430 | L | 76.3 | Confident | 76.3 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 134.1 | 174.5 | -85 | 157.2 | 0 | 0 | 0 | 111 | L375 P422 S424 | L375-L430 HydrophobicContact CD2-CD2 4.18Å; P422-L430 HydrophobicContact CB-CD1 4.28Å; P422-L430 HydrophobicContact CB-CD2 3.75Å; P422-L430 HydrophobicContact CB-CG 3.85Å; P422-L430 HydrophobicContact CG-CD2 3.72Å; P422-L430 HydrophobicContact CG-CG 4.28Å; S424-L430 WeakPolarHBondContact O-CD1 3.35Å |
| 431 | P | 87.3 | Confident | 77.6 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 16% | 0.156 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 149.3 | 172.9 | 28.3 | -34.5 | 0 | 0 | 0 | 110.4 | Q330 Y371 L375 D435 L436 | Q330-P431 PolarHBondContact NE2-O 3.08Å; Y371-P431 HydrophobicContact CE1-CG 4.19Å; L375-P431 HydrophobicContact CD1-CG 3.95Å; P431-D435 HydrophobicContact CB-CB 4.33Å; P431-L436 HydrophobicContact CB-CD2 4.36Å; P431-L436 HydrophobicContact CB-CG 4.29Å; P431-L436 HydrophobicContact CG-CD1 4.27Å; P431-L436 HydrophobicContact CG-CD2 3.71Å; P431-L436 HydrophobicContact CG-CG 3.93Å |
| 432 | C | 91.4 | Very high | 78.8 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 166.7 | 176.9 | 80.7 | 0 | 0 | 0 | 0 | 111.6 | R91 D95 A434 D435 L436 | R91-C432 WeakPolarHBondContact CG-SG 3.36Å; D95-C432 HydrophobicContact CB-CB 4.43Å; D95-C432 WeakPolarHBondContact OD1-CB 3.46Å; C432-A434 PolarHBondContact O-N 3.2Å; C432-D435 PolarHBondContact O-N 3.34Å; C432-D435 PolarHBondContact SG-N 2.89Å; C432-D435 PolarHBondContact SG-OD2 2.74Å; C432-L436 PolarHBondContact O-N 3.43Å; C432-L436 VanDerWaalsContact O-N 3.12Å |
| 433 | L | 94 | Very high | 80.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -27.1 | -177.3 | -170.3 | 61.8 | 0 | 0 | 0 | 111.7 | D95 L98 K99 Q333 L337 W437 | D95-L433 WeakPolarHBondContact OD1-CB 2.98Å; D95-L433 PolarHBondContact OD1-N 2.67Å; L98-L433 HydrophobicContact CB-CD2 3.93Å; L98-L433 HydrophobicContact CB-CG 4.2Å; K99-L433 HydrophobicContact CG-CD2 3.82Å; Q333-L433 HydrophobicContact CB-CD1 3.83Å; Q333-L433 HydrophobicContact CB-CD2 4.05Å; L337-L433 HydrophobicContact CD1-CD1 4.13Å; L337-L433 HydrophobicContact CD1-CD2 3.8Å; L337-L433 HydrophobicContact CD1-CG 3.95Å; L433-W437 WeakPolarHBondContact O-CB 3.11Å; L433-W437 PolarHBondContact O-N 2.71Å |
| 434 | A | 95.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I86 L94 D95 L98 C432 W437 L438 | I86-A434 HydrophobicContact CD1-CB 4.31Å; L94-A434 HydrophobicContact CB-CB 3.97Å; L94-A434 HydrophobicContact CD2-CB 3.83Å; L94-A434 HydrophobicContact CG-CB 3.7Å; D95-A434 HydrophobicContact CB-CB 4.04Å; L98-A434 HydrophobicContact CD1-CB 4.23Å; C432-A434 PolarHBondContact O-N 3.2Å; A434-W437 PolarHBondContact O-N 3.12Å; A434-L438 WeakPolarHBondContact O-CB 3.45Å; A434-L438 WeakPolarHBondContact O-CG 3.29Å; A434-L438 PolarHBondContact O-N 3.42Å |
| 435 | D | 94.3 | Very high | 83.6 | Confident | 51 Ų | 51 | 36.5 Ų | 36.5 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.8 | -74.2 | -64.7 | 0 | 0 | 0 | 111.4 | R91 P431 C432 G439 | R91-D435 IonicContact CZ-OD2 3.77Å; R91-D435 IonicContact NE-OD2 2.85Å; R91-D435 IonicContact NH1-OD1 3.97Å; R91-D435 PolarHBondContact NH1-OD1 3.44Å; R91-D435 IonicContact NH1-OD2 2.8Å; R91-D435 PolarHBondContact NH1-OD2 3.45Å; P431-D435 HydrophobicContact CB-CB 4.33Å; C432-D435 PolarHBondContact O-N 3.34Å; C432-D435 PolarHBondContact SG-N 2.89Å; C432-D435 PolarHBondContact SG-OD2 2.74Å; D435-G439 WeakPolarHBondContact O-CA 2.94Å; D435-G439 PolarHBondContact O-N 3.49Å |
| 436 | L | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 174.9 | -69.2 | 177.3 | 0 | 0 | 0 | 113 | Q330 L334 L368 Y371 L375 P431 C432 F440 | Q330-L436 HydrophobicContact CB-CD1 3.8Å; Q330-L436 HydrophobicContact CG-CD1 4.27Å; L334-L436 HydrophobicContact CD1-CB 4.21Å; L368-L436 HydrophobicContact CD2-CD2 4.06Å; Y371-L436 HydrophobicContact CD2-CD2 3.96Å; Y371-L436 HydrophobicContact CE2-CD2 3.6Å; L375-L436 HydrophobicContact CD1-CD2 3.59Å; P431-L436 HydrophobicContact CB-CD2 4.36Å; P431-L436 HydrophobicContact CB-CG 4.29Å; P431-L436 HydrophobicContact CG-CD1 4.27Å; P431-L436 HydrophobicContact CG-CD2 3.71Å; P431-L436 HydrophobicContact CG-CG 3.93Å; C432-L436 PolarHBondContact O-N 3.43Å; C432-L436 VanDerWaalsContact O-N 3.12Å; L436-F440 WeakPolarHBondContact O-CB 3.47Å; L436-F440 PolarHBondContact O-N 2.92Å |
| 437 | W | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.3 | -47.5 | 179.4 | -179.7 | -117.3 | 0 | 0 | 0 | 112.5 | L98 L334 L337 F338 L341 L433 A434 F440 L441 F509 F1030 | L98-W437 HydrophobicContact CD1-CB 3.7Å; L98-W437 HydrophobicContact CD1-CG 3.84Å; L98-W437 HydrophobicContact CD2-CD2 4.42Å; L98-W437 HydrophobicContact CD2-CG 4.07Å; L334-W437 HydrophobicContact CD1-CB 4.22Å; L334-W437 HydrophobicContact CD1-CE3 3.84Å; L337-W437 HydrophobicContact CB-CE3 3.92Å; L337-W437 HydrophobicContact CB-CH2 4Å; L337-W437 HydrophobicContact CB-CZ3 3.62Å; L337-W437 HydrophobicContact CD1-CE3 4.46Å; F338-W437 HydrophobicContact CB-CH2 4.47Å; F338-W437 HydrophobicContact CB-CZ3 3.99Å; L341-W437 HydrophobicContact CB-CH2 3.96Å; L341-W437 HydrophobicContact CB-CZ2 4.38Å; L341-W437 HydrophobicContact CD2-CH2 3.86Å; L341-W437 HydrophobicContact CD2-CZ2 3.98Å; L433-W437 WeakPolarHBondContact O-CB 3.11Å; L433-W437 PolarHBondContact O-N 2.71Å; A434-W437 PolarHBondContact O-N 3.12Å; W437-F440 HydrophobicContact CE3-CD1 4.47Å; W437-F440 HydrophobicContact CZ3-CD1 4.44Å; W437-F440 PolarHBondContact O-N 2.87Å; W437-L441 HydrophobicContact CD2-CD1 4.31Å; W437-L441 HydrophobicContact CZ2-CD1 4.24Å; W437-L441 WeakPolarHBondContact O-CG 3.34Å; W437-L441 PolarHBondContact O-N 3.28Å; W437-L441 VanDerWaalsContact O-N 3.09Å; W437-F509 AromaticContact CD1-CD2 3.89Å; W437-F509 AromaticContact CE2-CE2 3.84Å; W437-F509 HydrophobicContact CZ2-CD2 4.45Å; W437-F509 AromaticContact CZ2-CE2 3.89Å; W437-F509 HydrophobicContact CZ2-CE2 3.89Å; W437-F509 AromaticContact NE1-CD2 3.04Å; W437-F509 AromaticContact NE1-CE2 3.17Å; W437-F509 AromaticContact NE1-CG 3.68Å; W437-F509 AromaticContact NE1-CZ 3.89Å; W437-F1030 HydrophobicContact CH2-CE2 4.49Å; W437-F1030 HydrophobicContact CH2-CZ 4.34Å; W437-F1030 AromaticContact CZ2-CE2 3.9Å; W437-F1030 HydrophobicContact CZ2-CE2 3.9Å; W437-F1030 AromaticContact CZ2-CZ 3.99Å; W437-F1030 HydrophobicContact CZ2-CZ 3.99Å |
| 438 | L | 95.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 175.4 | -66.2 | -178.2 | 0 | 0 | 0 | 111.4 | I86 L94 A434 R442 Y506 F509 | I86-L438 HydrophobicContact CD1-CD1 3.94Å; I86-L438 HydrophobicContact CG2-CD1 3.66Å; L94-L438 HydrophobicContact CD2-CD1 3.94Å; L94-L438 HydrophobicContact CD2-CD2 4.37Å; L94-L438 HydrophobicContact CD2-CG 4.12Å; A434-L438 WeakPolarHBondContact O-CB 3.45Å; A434-L438 WeakPolarHBondContact O-CG 3.29Å; A434-L438 PolarHBondContact O-N 3.42Å; L438-R442 VanDerWaalsContact O-CB 3.22Å; L438-R442 WeakPolarHBondContact O-CB 3.48Å; L438-R442 PolarHBondContact O-N 3.06Å; L438-Y506 HydrophobicContact CB-CE2 4.28Å; L438-Y506 HydrophobicContact CD2-CD2 4.17Å; L438-Y506 HydrophobicContact CD2-CE2 4.3Å; L438-Y506 WeakPolarHBondContact O-CE2 3.15Å; L438-F509 HydrophobicContact CD2-CB 3.73Å |
| 439 | G | 94.8 | Very high | 91.3 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 21% | 0.206 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y367 D435 R442 F443 | Y367-G439 VanDerWaalsContact OH-C 3.22Å; Y367-G439 WeakPolarHBondContact OH-CA 3.41Å; D435-G439 WeakPolarHBondContact O-CA 2.94Å; D435-G439 PolarHBondContact O-N 3.49Å; G439-R442 PolarHBondContact O-N 2.86Å; G439-F443 VanDerWaalsContact O-CB 3.24Å; G439-F443 WeakPolarHBondContact O-CB 3.19Å; G439-F443 PolarHBondContact O-N 3.28Å |
| 440 | F | 97.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 176.1 | 170.7 | -96.8 | 0 | 0 | 0 | 112.3 | L334 F338 L363 V364 Y367 L436 W437 F443 Y444 | L334-F440 HydrophobicContact CD1-CB 4.38Å; L334-F440 HydrophobicContact CD2-CB 4.21Å; L334-F440 HydrophobicContact CD2-CD2 4.38Å; L334-F440 HydrophobicContact CD2-CG 4.41Å; F338-F440 HydrophobicContact CB-CE1 4.14Å; F338-F440 HydrophobicContact CB-CZ 4.36Å; F338-F440 AromaticContact CD1-CE1 3.89Å; F338-F440 HydrophobicContact CD1-CE1 3.89Å; F338-F440 AromaticContact CD1-CZ 3.5Å; F338-F440 HydrophobicContact CD1-CZ 3.5Å; F338-F440 AromaticContact CD2-CE1 3.66Å; F338-F440 HydrophobicContact CD2-CE1 3.66Å; F338-F440 HydrophobicContact CD2-CZ 4.14Å; F338-F440 HydrophobicContact CE1-CE1 4.25Å; F338-F440 AromaticContact CE1-CZ 3.77Å; F338-F440 HydrophobicContact CE1-CZ 3.77Å; F338-F440 HydrophobicContact CE2-CE1 4.05Å; F338-F440 HydrophobicContact CE2-CZ 4.38Å; F338-F440 AromaticContact CG-CE1 3.61Å; F338-F440 HydrophobicContact CG-CE1 3.61Å; F338-F440 AromaticContact CG-CZ 3.73Å; F338-F440 HydrophobicContact CG-CZ 3.73Å; F338-F440 HydrophobicContact CZ-CE1 4.34Å; F338-F440 HydrophobicContact CZ-CZ 4.22Å; L363-F440 HydrophobicContact CB-CE2 4.25Å; L363-F440 HydrophobicContact CB-CZ 4.39Å; V364-F440 HydrophobicContact CB-CE2 4.46Å; V364-F440 HydrophobicContact CG2-CD2 4.19Å; V364-F440 HydrophobicContact CG2-CE2 3.64Å; V364-F440 HydrophobicContact CG2-CZ 4Å; Y367-F440 HydrophobicContact CD1-CB 3.81Å; Y367-F440 AromaticContact CD1-CD2 3.78Å; Y367-F440 HydrophobicContact CD1-CD2 3.78Å; Y367-F440 HydrophobicContact CD1-CG 4.29Å; Y367-F440 HydrophobicContact CE1-CB 3.7Å; Y367-F440 HydrophobicContact CG-CB 4.35Å; Y367-F440 AromaticContact CG-CD2 3.89Å; Y367-F440 HydrophobicContact CG-CD2 3.89Å; Y367-F440 VanDerWaalsContact CZ-N 3.32Å; Y367-F440 PolarHBondContact OH-N 3.18Å; L436-F440 WeakPolarHBondContact O-CB 3.47Å; L436-F440 PolarHBondContact O-N 2.92Å; W437-F440 HydrophobicContact CE3-CD1 4.47Å; W437-F440 HydrophobicContact CZ3-CD1 4.44Å; W437-F440 PolarHBondContact O-N 2.87Å; F440-F443 PolarHBondContact O-N 2.97Å; F440-Y444 HydrophobicContact CD2-CD2 4.25Å; F440-Y444 HydrophobicContact CD2-CE2 4.13Å; F440-Y444 AromaticContact CE2-CD2 3.88Å; F440-Y444 HydrophobicContact CE2-CD2 3.88Å; F440-Y444 AromaticContact CE2-CE2 3.65Å; F440-Y444 HydrophobicContact CE2-CE2 3.65Å; F440-Y444 HydrophobicContact CZ-CD2 4.18Å; F440-Y444 HydrophobicContact CZ-CE2 4.28Å; F440-Y444 PolarHBondContact O-N 3Å |
| 441 | L | 96.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 177.7 | -69.9 | 174.3 | 0 | 0 | 0 | 111.1 | L341 W437 L445 L502 A505 Y506 F509 | L341-L441 HydrophobicContact CD2-CD2 4.16Å; W437-L441 HydrophobicContact CD2-CD1 4.31Å; W437-L441 HydrophobicContact CZ2-CD1 4.24Å; W437-L441 WeakPolarHBondContact O-CG 3.34Å; W437-L441 PolarHBondContact O-N 3.28Å; W437-L441 VanDerWaalsContact O-N 3.09Å; L441-L445 WeakPolarHBondContact O-CB 3.5Å; L441-L445 WeakPolarHBondContact O-CD1 3.42Å; L441-L445 VanDerWaalsContact O-CG 3.25Å; L441-L445 WeakPolarHBondContact O-CG 3.4Å; L441-L445 PolarHBondContact O-N 3.06Å; L441-L502 HydrophobicContact CD2-CD2 3.79Å; L441-A505 HydrophobicContact CD1-CB 4.16Å; L441-Y506 HydrophobicContact CB-CD2 3.78Å; L441-Y506 HydrophobicContact CB-CG 4.31Å; L441-Y506 HydrophobicContact CD1-CD2 4.49Å; L441-F509 HydrophobicContact CD1-CD2 4.46Å |
| 442 | R | 94.1 | Very high | 92 | Very high | 8 Ų | 8 | 20 Ų | 20 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.8 | -169.2 | -162.6 | 154.2 | 80 | 16.7 | 111.9 | L81 L438 G439 Y444 L445 F446 D447 Y506 | L81-R442 PolarHBondContact O-NH1 3.49Å; L438-R442 VanDerWaalsContact O-CB 3.22Å; L438-R442 WeakPolarHBondContact O-CB 3.48Å; L438-R442 PolarHBondContact O-N 3.06Å; G439-R442 PolarHBondContact O-N 2.86Å; R442-Y444 VanDerWaalsContact C-N 3.34Å; R442-Y444 PolarHBondContact O-N 3.36Å; R442-L445 PolarHBondContact O-N 2.89Å; R442-L445 VanDerWaalsContact O-N 3.14Å; R442-F446 HydrophobicContact CG-CD2 3.77Å; R442-F446 PolarHBondContact O-N 3.43Å; R442-D447 VanDerWaalsContact CD-OD2 3.27Å; R442-D447 WeakPolarHBondContact CD-OD2 3.48Å; R442-D447 WeakPolarHBondContact CG-OD2 3.26Å; R442-D447 IonicContact CZ-OD1 3.74Å; R442-D447 IonicContact CZ-OD2 3.42Å; R442-D447 IonicContact NE-OD1 3.31Å; R442-D447 PolarHBondContact NE-OD1 3.3Å; R442-D447 VanDerWaalsContact NE-OD1 3.1Å; R442-D447 IonicContact NE-OD2 2.81Å; R442-D447 PolarHBondContact NE-OD2 3.5Å; R442-D447 IonicContact NH2-OD1 3.67Å; R442-D447 PolarHBondContact NH2-OD1 2.84Å; R442-D447 IonicContact NH2-OD2 3.39Å; R442-Y506 HydrophobicContact CB-CE2 3.8Å; R442-Y506 HydrophobicContact CG-CE2 4.46Å |
| 443 | F | 94.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 5% | 0.048 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -54.3 | -49.2 | -177.4 | 179.8 | -99.4 | 0 | 0 | 0 | 111.6 | F366 Y367 G439 F440 D447 F448 I995 | F366-F443 HydrophobicContact CD1-CE1 4.09Å; F366-F443 HydrophobicContact CD1-CZ 4.34Å; F366-F443 HydrophobicContact CE1-CE1 4.11Å; F366-F443 HydrophobicContact CE1-CZ 4.07Å; Y367-F443 HydrophobicContact CD2-CB 3.75Å; Y367-F443 AromaticContact CD2-CD1 3.84Å; Y367-F443 HydrophobicContact CD2-CD1 3.84Å; Y367-F443 HydrophobicContact CD2-CD2 4.06Å; Y367-F443 HydrophobicContact CD2-CE1 4.42Å; Y367-F443 AromaticContact CD2-CG 3.63Å; Y367-F443 HydrophobicContact CD2-CG 3.63Å; Y367-F443 HydrophobicContact CE2-CB 3.82Å; Y367-F443 HydrophobicContact CE2-CD2 4.34Å; Y367-F443 HydrophobicContact CE2-CG 4.08Å; G439-F443 VanDerWaalsContact O-CB 3.24Å; G439-F443 WeakPolarHBondContact O-CB 3.19Å; G439-F443 PolarHBondContact O-N 3.28Å; F440-F443 PolarHBondContact O-N 2.97Å; F443-D447 PolarHBondContact O-N 2.97Å; F443-F448 HydrophobicContact CD1-CB 4Å; F443-F448 HydrophobicContact CD2-CB 4.38Å; F443-F448 HydrophobicContact CE1-CB 3.72Å; F443-F448 HydrophobicContact CE1-CD2 4.28Å; F443-F448 AromaticContact CE1-CG 3.96Å; F443-F448 HydrophobicContact CE1-CG 3.96Å; F443-F448 HydrophobicContact CE2-CB 4.13Å; F443-F448 HydrophobicContact CG-CB 4.33Å; F443-F448 HydrophobicContact CZ-CB 3.8Å; F443-F448 HydrophobicContact CZ-CD2 4Å; F443-F448 HydrophobicContact CZ-CG 4.07Å; F443-F448 WeakPolarHBondContact O-CB 3.39Å; F443-F448 PolarHBondContact O-N 3.41Å; F443-I995 HydrophobicContact CE2-CD1 3.98Å; F443-I995 HydrophobicContact CE2-CG1 4.07Å; F443-I995 HydrophobicContact CE2-CG2 4.02Å; F443-I995 HydrophobicContact CZ-CD1 4.09Å; F443-I995 HydrophobicContact CZ-CG1 4.29Å |
| 444 | Y | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -81.4 | -16.4 | 179.7 | -73.2 | -61.7 | 0 | 0 | 0 | 115.2 | L363 F366 F440 R442 F448 I450 I455 F474 | L363-Y444 WeakPolarHBondContact CA-OH 3.31Å; L363-Y444 HydrophobicContact CB-CE2 3.89Å; L363-Y444 HydrophobicContact CD2-CE1 3.97Å; L363-Y444 HydrophobicContact CD2-CE2 4.3Å; L363-Y444 PolarHBondContact O-OH 3.07Å; F366-Y444 WeakPolarHBondContact CD1-OH 3.49Å; F440-Y444 HydrophobicContact CD2-CD2 4.25Å; F440-Y444 HydrophobicContact CD2-CE2 4.13Å; F440-Y444 AromaticContact CE2-CD2 3.88Å; F440-Y444 HydrophobicContact CE2-CD2 3.88Å; F440-Y444 AromaticContact CE2-CE2 3.65Å; F440-Y444 HydrophobicContact CE2-CE2 3.65Å; F440-Y444 HydrophobicContact CZ-CD2 4.18Å; F440-Y444 HydrophobicContact CZ-CE2 4.28Å; F440-Y444 PolarHBondContact O-N 3Å; R442-Y444 VanDerWaalsContact C-N 3.34Å; R442-Y444 PolarHBondContact O-N 3.36Å; Y444-F448 AromaticContact CD1-CD1 3.99Å; Y444-F448 HydrophobicContact CD1-CD1 3.99Å; Y444-F448 AromaticContact CE1-CD1 3.89Å; Y444-F448 HydrophobicContact CE1-CD1 3.89Å; Y444-F448 HydrophobicContact CE1-CE1 4.32Å; Y444-I450 WeakPolarHBondContact O-CD1 3.3Å; Y444-I455 HydrophobicContact CE1-CD1 3.58Å; Y444-F474 AromaticContact CD1-CE1 3.83Å; Y444-F474 HydrophobicContact CD1-CE1 3.83Å; Y444-F474 HydrophobicContact CE1-CE1 4.45Å; Y444-F474 HydrophobicContact CG-CE1 4.31Å |
| 445 | L | 91.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 19.3 Ų | 19.3 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -85.5 | -32.2 | 175.5 | -77.7 | 170.6 | 0 | 0 | 0 | 113.9 | K77 L441 R442 L502 L503 Y506 | K77-L445 WeakPolarHBondContact CE-O 3.49Å; K77-L445 PolarHBondContact NZ-O 3.26Å; L441-L445 WeakPolarHBondContact O-CB 3.5Å; L441-L445 WeakPolarHBondContact O-CD1 3.42Å; L441-L445 VanDerWaalsContact O-CG 3.25Å; L441-L445 WeakPolarHBondContact O-CG 3.4Å; L441-L445 PolarHBondContact O-N 3.06Å; R442-L445 PolarHBondContact O-N 2.89Å; R442-L445 VanDerWaalsContact O-N 3.14Å; L445-L502 HydrophobicContact CD1-CB 4.37Å; L445-L502 HydrophobicContact CD2-CB 3.8Å; L445-L502 HydrophobicContact CG-CB 4.12Å; L445-L503 HydrophobicContact CD1-CD1 4.2Å; L445-L503 HydrophobicContact CD2-CB 4.1Å; L445-L503 HydrophobicContact CD2-CD1 4.24Å; L445-Y506 HydrophobicContact CD1-CD1 4.08Å; L445-Y506 HydrophobicContact CD1-CG 3.94Å |
| 446 | F | 90.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 14% | 0.136 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -137.7 | -49.5 | -164.3 | -56.6 | -72.9 | 0 | 0 | 0 | 114.5 | K77 L80 L81 R442 L503 Y506 | K77-F446 HydrophobicContact CD-CE1 4.29Å; K77-F446 HydrophobicContact CG-CE1 3.62Å; K77-F446 HydrophobicContact CG-CZ 4.29Å; K77-F446 WeakPolarHBondContact O-CE1 3.38Å; L80-F446 HydrophobicContact CB-CE2 4.49Å; L80-F446 HydrophobicContact CB-CZ 3.88Å; L81-F446 HydrophobicContact CB-CD1 3.85Å; L81-F446 HydrophobicContact CB-CE1 3.67Å; L81-F446 HydrophobicContact CB-CZ 4.36Å; L81-F446 HydrophobicContact CD1-CB 3.89Å; L81-F446 HydrophobicContact CD1-CD1 3.6Å; L81-F446 HydrophobicContact CD1-CE1 4.33Å; L81-F446 HydrophobicContact CD1-CG 3.88Å; L81-F446 HydrophobicContact CG-CD1 4.27Å; R442-F446 HydrophobicContact CG-CD2 3.77Å; R442-F446 PolarHBondContact O-N 3.43Å; F446-L503 HydrophobicContact CZ-CD1 3.93Å; F446-Y506 AromaticContact CE2-CD1 3.88Å; F446-Y506 HydrophobicContact CE2-CD1 3.88Å; F446-Y506 AromaticContact CE2-CE1 3.71Å; F446-Y506 HydrophobicContact CE2-CE1 3.71Å |
| 447 | D | 91.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 18 Ų | 18 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -85.4 | -38.9 | -162.8 | -55.1 | -40.6 | 0 | 0 | 0 | 112.4 | R442 F443 I995 S996 | R442-D447 VanDerWaalsContact CD-OD2 3.27Å; R442-D447 WeakPolarHBondContact CD-OD2 3.48Å; R442-D447 WeakPolarHBondContact CG-OD2 3.26Å; R442-D447 IonicContact CZ-OD1 3.74Å; R442-D447 IonicContact CZ-OD2 3.42Å; R442-D447 IonicContact NE-OD1 3.31Å; R442-D447 PolarHBondContact NE-OD1 3.3Å; R442-D447 VanDerWaalsContact NE-OD1 3.1Å; R442-D447 IonicContact NE-OD2 2.81Å; R442-D447 PolarHBondContact NE-OD2 3.5Å; R442-D447 IonicContact NH2-OD1 3.67Å; R442-D447 PolarHBondContact NH2-OD1 2.84Å; R442-D447 IonicContact NH2-OD2 3.39Å; F443-D447 PolarHBondContact O-N 2.97Å; D447-I995 CarbonylContact O-C 3.55Å; D447-I995 WeakPolarHBondContact O-CA 3.47Å; D447-S996 WeakPolarHBondContact CB-O 3.42Å; D447-S996 WeakPolarHBondContact O-CB 3.37Å; D447-S996 PolarHBondContact O-N 2.75Å; D447-S996 PolarHBondContact O-OG 2.91Å |
| 448 | F | 92.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 120.9 | 178.8 | 178 | -107.6 | 0 | 0 | 0 | 112.7 | F366 F443 Y444 I450 C453 I455 V994 I995 | F366-F448 HydrophobicContact CE1-CD2 4.1Å; F366-F448 AromaticContact CE1-CE2 3.69Å; F366-F448 HydrophobicContact CE1-CE2 3.69Å; F366-F448 HydrophobicContact CE1-CZ 4Å; F366-F448 AromaticContact CZ-CE2 3.84Å; F366-F448 HydrophobicContact CZ-CE2 3.84Å; F366-F448 HydrophobicContact CZ-CZ 4.16Å; F443-F448 HydrophobicContact CD1-CB 4Å; F443-F448 HydrophobicContact CD2-CB 4.38Å; F443-F448 HydrophobicContact CE1-CB 3.72Å; F443-F448 HydrophobicContact CE1-CD2 4.28Å; F443-F448 AromaticContact CE1-CG 3.96Å; F443-F448 HydrophobicContact CE1-CG 3.96Å; F443-F448 HydrophobicContact CE2-CB 4.13Å; F443-F448 HydrophobicContact CG-CB 4.33Å; F443-F448 HydrophobicContact CZ-CB 3.8Å; F443-F448 HydrophobicContact CZ-CD2 4Å; F443-F448 HydrophobicContact CZ-CG 4.07Å; F443-F448 WeakPolarHBondContact O-CB 3.39Å; F443-F448 PolarHBondContact O-N 3.41Å; Y444-F448 AromaticContact CD1-CD1 3.99Å; Y444-F448 HydrophobicContact CD1-CD1 3.99Å; Y444-F448 AromaticContact CE1-CD1 3.89Å; Y444-F448 HydrophobicContact CE1-CD1 3.89Å; Y444-F448 HydrophobicContact CE1-CE1 4.32Å; F448-I450 VanDerWaalsContact C-N 3.35Å; F448-I450 HydrophobicContact CD1-CB 4.47Å; F448-I450 HydrophobicContact CD1-CG1 3.6Å; F448-I450 HydrophobicContact CE1-CB 4.43Å; F448-I450 HydrophobicContact CE1-CG1 3.9Å; F448-I450 PolarHBondContact O-N 3.17Å; F448-C453 HydrophobicContact CE2-CB 4.34Å; F448-C453 HydrophobicContact CZ-CB 4.31Å; F448-I455 HydrophobicContact CE1-CD1 3.86Å; F448-I455 HydrophobicContact CE1-CG1 3.68Å; F448-I455 HydrophobicContact CZ-CD1 4.42Å; F448-I455 HydrophobicContact CZ-CG1 3.75Å; F448-V994 HydrophobicContact CD2-CG1 3.86Å; F448-V994 HydrophobicContact CE2-CG1 3.59Å; F448-I995 HydrophobicContact CD2-CG1 3.99Å |
| 449 | K | 88.2 | Confident | 91 | Very high | 77 Ų | 77 | 21 Ų | 21 | 34% | 0.335 | 12% | 0.117 | S | C | . | . | trans | -80.9 | 76.8 | -178.9 | -63.8 | 162.9 | -164.8 | 148.6 | 0 | 111.8 | S451 S452 D993 V994 S996 | K449-S451 PolarHBondContact O-N 2.88Å; K449-S452 WeakPolarHBondContact O-CB 3.36Å; K449-S452 PolarHBondContact O-N 3.42Å; K449-D993 VanDerWaalsContact CD-O 3.24Å; K449-D993 WeakPolarHBondContact CD-O 3.42Å; K449-D993 PolarHBondContact NZ-O 3.2Å; K449-V994 WeakPolarHBondContact CB-O 3.41Å; K449-V994 WeakPolarHBondContact CD-O 3.45Å; K449-V994 VanDerWaalsContact CG-O 3.25Å; K449-V994 WeakPolarHBondContact CG-O 3.35Å; K449-V994 PolarHBondContact N-O 3.22Å; K449-S996 VanDerWaalsContact CE-OG 3.3Å; K449-S996 WeakPolarHBondContact CE-OG 3.14Å | ||
| 450 | I | 83.5 | Confident | 90.6 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 12% | 0.118 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | -37.8 | 179 | -65.9 | 165.9 | 0 | 0 | 0 | 113.9 | Y444 F448 S452 C473 F474 | Y444-I450 WeakPolarHBondContact O-CD1 3.3Å; F448-I450 VanDerWaalsContact C-N 3.35Å; F448-I450 HydrophobicContact CD1-CB 4.47Å; F448-I450 HydrophobicContact CD1-CG1 3.6Å; F448-I450 HydrophobicContact CE1-CB 4.43Å; F448-I450 HydrophobicContact CE1-CG1 3.9Å; F448-I450 PolarHBondContact O-N 3.17Å; I450-S452 PolarHBondContact O-N 2.96Å; I450-C473 WeakPolarHBondContact CG2-O 3.21Å; I450-F474 HydrophobicContact CD1-CD1 4.05Å; I450-F474 HydrophobicContact CD1-CD2 4.48Å; I450-F474 HydrophobicContact CD1-CE1 3.57Å; I450-F474 HydrophobicContact CD1-CE2 4.03Å; I450-F474 HydrophobicContact CD1-CG 4.49Å; I450-F474 HydrophobicContact CD1-CZ 3.54Å; I450-F474 HydrophobicContact CG1-CD1 4.31Å; I450-F474 HydrophobicContact CG1-CE1 4.18Å; I450-F474 HydrophobicContact CG2-CB 4.45Å; I450-F474 HydrophobicContact CG2-CD1 4.39Å; I450-F474 HydrophobicContact CG2-CG 4.23Å |
| 451 | S | 77.4 | Confident | 90.3 | Very high | 62 Ų | 62 | 27 Ų | 27 | 43% | 0.434 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.8 | 179.9 | 53.5 | 0 | 0 | 0 | 0 | 115.5 | K449 K471 | K449-S451 PolarHBondContact O-N 2.88Å; S451-K471 WeakPolarHBondContact CA-O 3.43Å; S451-K471 WeakPolarHBondContact CB-O 3.37Å |
| 452 | S | 83.2 | Confident | 90 | Very high | 48 Ų | 48 | 27.4 Ų | 27.4 | 34% | 0.336 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -34.2 | -165.1 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | K449 I450 C465 | K449-S452 WeakPolarHBondContact O-CB 3.36Å; K449-S452 PolarHBondContact O-N 3.42Å; I450-S452 PolarHBondContact O-N 2.96Å; S452-C465 PolarHBondContact O-N 3.3Å; S452-C465 VanDerWaalsContact O-N 3.14Å |
| 453 | C | 88.4 | Confident | 89.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -134.3 | 137.4 | -170.9 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | F448 V463 L989 V994 | F448-C453 HydrophobicContact CE2-CB 4.34Å; F448-C453 HydrophobicContact CZ-CB 4.31Å; C453-V463 CarbonylContact C-O 3.35Å; C453-V463 WeakPolarHBondContact CA-O 3.35Å; C453-V463 PolarHBondContact SG-O 2.73Å; C453-L989 HydrophobicContact CB-CD2 4.34Å; C453-V994 HydrophobicContact CB-CB 4.45Å; C453-V994 HydrophobicContact CB-CG1 3.49Å; C453-V994 VanDerWaalsContact CB-CG1 3.49Å; C453-V994 HydrophobicContact CB-CG2 4.04Å |
| 454 | T | 90 | Very high | 89.3 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | trans | -81.2 | 142.3 | 174 | -166.4 | 0 | 0 | 0 | 0 | 110 | N456 V463 C465 T475 T477 | T454-N456 HydrophobicContact CG2-CB 4.45Å; T454-N456 PolarHBondContact O-N 3.13Å; T454-V463 HydrophobicContact CG2-CB 3.74Å; T454-V463 HydrophobicContact CG2-CG1 3.64Å; T454-V463 PolarHBondContact N-O 3.07Å; T454-C465 PolarHBondContact N-SG 2.9Å; T454-C465 VanDerWaalsContact N-SG 3.42Å; T454-T475 WeakPolarHBondContact OG1-CB 3.3Å; T454-T475 VanDerWaalsContact OG1-CG2 3.24Å; T454-T475 WeakPolarHBondContact OG1-CG2 3.35Å; T454-T475 PolarHBondContact OG1-O 3.33Å; T454-T477 WeakPolarHBondContact CG2-OG1 3.3Å; T454-T477 PolarHBondContact OG1-OG1 3.4Å | ||
| 455 | I | 93.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 115.4 | 177.2 | -64.3 | 174.7 | 0 | 0 | 0 | 107.6 | L363 F366 Y444 F448 F474 T475 V476 T477 | L363-I455 HydrophobicContact CD2-CD1 3.34Å; L363-I455 HydrophobicContact CD2-CG2 4.37Å; F366-I455 HydrophobicContact CB-CG2 3.82Å; F366-I455 HydrophobicContact CD1-CG1 4.46Å; F366-I455 HydrophobicContact CD1-CG2 4.08Å; F366-I455 HydrophobicContact CD2-CG2 3.86Å; F366-I455 HydrophobicContact CE1-CG1 4.3Å; F366-I455 HydrophobicContact CE2-CG2 4.39Å; F366-I455 HydrophobicContact CG-CG2 3.67Å; Y444-I455 HydrophobicContact CE1-CD1 3.58Å; F448-I455 HydrophobicContact CE1-CD1 3.86Å; F448-I455 HydrophobicContact CE1-CG1 3.68Å; F448-I455 HydrophobicContact CZ-CD1 4.42Å; F448-I455 HydrophobicContact CZ-CG1 3.75Å; I455-F474 HydrophobicContact CD1-CD1 4.12Å; I455-T475 WeakPolarHBondContact CB-O 3.33Å; I455-T475 PolarHBondContact N-O 3.44Å; I455-V476 HydrophobicContact CB-CB 4.49Å; I455-V476 HydrophobicContact CB-CG2 4.03Å; I455-V476 HydrophobicContact CD1-CG2 4.15Å; I455-V476 HydrophobicContact CG2-CG1 4.41Å; I455-V476 HydrophobicContact CG2-CG2 4.37Å; I455-T477 PolarHBondContact O-N 2.72Å |
| 456 | N | 93 | Very high | 87 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | trans | -141.5 | 124 | -173 | -180 | -11.7 | 0 | 0 | 0 | 108.6 | F366 T454 V458 E459 | F366-N456 WeakPolarHBondContact CD2-O 3.19Å; T454-N456 HydrophobicContact CG2-CB 4.45Å; T454-N456 PolarHBondContact O-N 3.13Å; N456-V458 WeakPolarHBondContact OD1-CA 3.32Å; N456-V458 WeakPolarHBondContact OD1-CB 3.12Å; N456-V458 PolarHBondContact OD1-N 3.07Å; N456-E459 PolarHBondContact OD1-N 3.04Å | ||
| 457 | I | 94.9 | Very high | 85 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -100.3 | 3.3 | -178.4 | 62.4 | 160.3 | 0 | 0 | 0 | 113.5 | L320 Y324 L362 I365 F366 P479 | L320-I457 HydrophobicContact CD2-CD1 3.86Å; Y324-I457 HydrophobicContact CE2-CD1 3.99Å; L362-I457 HydrophobicContact CD2-CD1 3.45Å; L362-I457 VanDerWaalsContact CD2-CD1 3.45Å; L362-I457 HydrophobicContact CD2-CG1 4.14Å; I365-I457 HydrophobicContact CB-CG2 4.38Å; I365-I457 HydrophobicContact CG2-CB 4.28Å; I365-I457 HydrophobicContact CG2-CD1 4.23Å; I365-I457 HydrophobicContact CG2-CG2 3.89Å; F366-I457 HydrophobicContact CB-CG2 3.99Å; F366-I457 HydrophobicContact CD2-CG2 4.4Å; I457-P479 HydrophobicContact CD1-CG 4.07Å; I457-P479 HydrophobicContact CG1-CG 3.93Å |
| 458 | V | 92.7 | Very high | 82.8 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -98.9 | -42.1 | -177 | -173 | 0 | 0 | 0 | 0 | 111.5 | N378 H380 N456 P479 | N378-V458 VanDerWaalsContact ND2-C 3.31Å; N378-V458 PolarHBondContact ND2-O 3.15Å; N378-V458 PolarHBondContact OD1-O 2.84Å; H380-V458 HydrophobicContact CB-CG1 3.99Å; N456-V458 WeakPolarHBondContact OD1-CA 3.32Å; N456-V458 WeakPolarHBondContact OD1-CB 3.12Å; N456-V458 PolarHBondContact OD1-N 3.07Å; V458-P479 HydrophobicContact CG2-CB 3.61Å; V458-P479 HydrophobicContact CG2-CG 4.41Å |
| 459 | E | 89.8 | Confident | 80.5 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | trans | -100.9 | 133 | 178.7 | -59.4 | -50.5 | 138.8 | 0 | 0 | 111.4 | R384 N456 E461 V463 | R384-E459 IonicContact CZ-OE1 2.83Å; R384-E459 VanDerWaalsContact CZ-OE1 3.26Å; R384-E459 VanDerWaalsContact NH1-CD 3.26Å; R384-E459 IonicContact NH1-OE1 2.64Å; R384-E459 PolarHBondContact NH1-OE1 3.03Å; R384-E459 IonicContact NH1-OE2 2.69Å; R384-E459 PolarHBondContact NH1-OE2 3.05Å; R384-E459 IonicContact NH2-OE1 2.92Å; R384-E459 PolarHBondContact NH2-OE1 3.21Å; N456-E459 PolarHBondContact OD1-N 3.04Å; E459-E461 VanDerWaalsContact C-N 3.28Å; E459-E461 PolarHBondContact O-N 2.86Å; E459-V463 HydrophobicContact CB-CG2 4.29Å | ||
| 460 | P | 87 | Confident | 78.7 | Confident | 49 Ų | 49 | 54 Ų | 54 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -80.2 | -8.6 | -178.8 | 33.7 | -36.8 | 0 | 0 | 0 | 113.8 | M381 W991 | M381-P460 HydrophobicContact SD-CB 4.07Å; M381-P460 HydrophobicContact SD-CG 3.96Å; P460-W991 PolarHBondContact O-NE1 3.28Å |
| 461 | E | 89.8 | Confident | 77.3 | Confident | 100 Ų | 100 | 57.8 Ų | 57.8 | 47% | 0.467 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -99.8 | 143.8 | -179.4 | -66 | -73.3 | 151.1 | 0 | 0 | 110 | E459 V463 K988 | E459-E461 VanDerWaalsContact C-N 3.28Å; E459-E461 PolarHBondContact O-N 2.86Å; E461-V463 PolarHBondContact O-N 3.18Å; E461-V463 VanDerWaalsContact O-N 3.14Å; E461-K988 VanDerWaalsContact OE2-CE 3.23Å; E461-K988 WeakPolarHBondContact OE2-CE 3.13Å; E461-K988 IonicContact OE2-NZ 2.81Å; E461-K988 PolarHBondContact OE2-NZ 3.15Å |
| 462 | P | 91.1 | Very high | 76.6 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | trans | -70.4 | 112.4 | -174.2 | 28.7 | -34.6 | 0 | 0 | 0 | 111.7 | P464 L989 W991 V994 | P462-P464 WeakPolarHBondContact O-CD 3.12Å; P462-L989 HydrophobicContact CB-CD2 4.25Å; P462-L989 HydrophobicContact CB-CG 4.44Å; P462-L989 HydrophobicContact CG-CB 4.29Å; P462-L989 HydrophobicContact CG-CG 4.32Å; P462-L989 VanDerWaalsContact CG-O 3.23Å; P462-L989 WeakPolarHBondContact CG-O 3.18Å; P462-W991 HydrophobicContact CB-CD2 3.91Å; P462-W991 HydrophobicContact CB-CE3 3.82Å; P462-W991 HydrophobicContact CB-CH2 3.83Å; P462-W991 HydrophobicContact CB-CZ2 3.9Å; P462-W991 HydrophobicContact CB-CZ3 3.79Å; P462-W991 HydrophobicContact CG-CD2 4.16Å; P462-W991 HydrophobicContact CG-CE3 4.5Å; P462-W991 HydrophobicContact CG-CG 4.43Å; P462-V994 HydrophobicContact CB-CG2 4.22Å | ||
| 463 | V | 88.7 | Confident | 76.3 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.297 | 32% | 0.32 | S | S | . | . | trans | -82.1 | 119.9 | -178.4 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | C453 T454 E459 E461 | C453-V463 CarbonylContact C-O 3.35Å; C453-V463 WeakPolarHBondContact CA-O 3.35Å; C453-V463 PolarHBondContact SG-O 2.73Å; T454-V463 HydrophobicContact CG2-CB 3.74Å; T454-V463 HydrophobicContact CG2-CG1 3.64Å; T454-V463 PolarHBondContact N-O 3.07Å; E459-V463 HydrophobicContact CB-CG2 4.29Å; E461-V463 PolarHBondContact O-N 3.18Å; E461-V463 VanDerWaalsContact O-N 3.14Å | ||
| 464 | P | 85.4 | Confident | 76.2 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 149.6 | -177.1 | -15.6 | 29.5 | 0 | 0 | 0 | 113.9 | P462 F466 L989 | P462-P464 WeakPolarHBondContact O-CD 3.12Å; P464-F466 HydrophobicContact CB-CD2 4.28Å; P464-F466 HydrophobicContact CB-CE2 3.79Å; P464-F466 HydrophobicContact CB-CZ 4.38Å; P464-F466 HydrophobicContact CG-CE2 3.98Å; P464-F466 VanDerWaalsContact O-CD2 3.27Å; P464-F466 WeakPolarHBondContact O-CD2 3.49Å; P464-F466 PolarHBondContact O-N 3.32Å; P464-L989 HydrophobicContact CB-CD2 4.14Å; P464-L989 HydrophobicContact CG-CB 4.23Å; P464-L989 HydrophobicContact CG-CD2 3.96Å |
| 465 | C | 78.7 | Confident | 76.2 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 14% | 0.135 | 33% | 0.326 | C | S | . | . | trans | -74.7 | 101.8 | 174.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | S452 T454 K471 | S452-C465 PolarHBondContact O-N 3.3Å; S452-C465 VanDerWaalsContact O-N 3.14Å; T454-C465 PolarHBondContact N-SG 2.9Å; T454-C465 VanDerWaalsContact N-SG 3.42Å; C465-K471 PolarHBondContact O-NZ 3.43Å | ||
| 466 | F | 58.9 | Low | 76.1 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 73% | 0.728 | 33% | 0.326 | S | S | * | . | trans | -93.4 | 148.9 | 174.6 | -73.4 | -83 | 0 | 0 | 0 | 112.8 | P464 | P464-F466 HydrophobicContact CB-CD2 4.28Å; P464-F466 HydrophobicContact CB-CE2 3.79Å; P464-F466 HydrophobicContact CB-CZ 4.38Å; P464-F466 HydrophobicContact CG-CE2 3.98Å; P464-F466 VanDerWaalsContact O-CD2 3.27Å; P464-F466 WeakPolarHBondContact O-CD2 3.49Å; P464-F466 PolarHBondContact O-N 3.32Å | ||
| 467 | N | 46.7 | Very low | 76 | Confident | 139 Ų | 139 | 62.1 Ų | 62.1 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 73.2 | 149.3 | -179 | -59.3 | -9.3 | 0 | 0 | 0 | 118.3 | ||
| 468 | A | 45.2 | Very low | 75.8 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 59.3 | 178 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | E470 | A468-E470 VanDerWaalsContact C-N 3.34Å; A468-E470 PolarHBondContact O-N 3.4Å |
| 469 | P | 44.9 | Very low | 75.8 | Confident | 126 Ų | 126 | 61.9 Ų | 61.9 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -0.1 | -167.9 | 33.1 | -34.3 | 0 | 0 | 0 | 115.1 | K471 | P469-K471 PolarHBondContact O-N 3.25Š|
| 470 | E | 50 | Low | 75.9 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -0.6 | -173.1 | -61.8 | -177.9 | 176.2 | 0 | 0 | 115.5 | A468 R472 C473 | A468-E470 VanDerWaalsContact C-N 3.34Å; A468-E470 PolarHBondContact O-N 3.4Å; E470-R472 PolarHBondContact O-N 2.88Å; E470-C473 PolarHBondContact O-N 3.24Å; E470-C473 VanDerWaalsContact O-N 3.1Å |
| 471 | K | 53.6 | Low | 75.7 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 20.2 | -169.3 | -56.7 | -166.7 | 177.7 | -123.5 | 0 | 117.3 | S451 C465 P469 | S451-K471 WeakPolarHBondContact CA-O 3.43Å; S451-K471 WeakPolarHBondContact CB-O 3.37Å; C465-K471 PolarHBondContact O-NZ 3.43Å; P469-K471 PolarHBondContact O-N 3.25Å |
| 472 | R | 63.6 | Low | 75.2 | Confident | 169 Ų | 169 | 57.8 Ų | 57.8 | 64% | 0.638 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -21.4 | 175.3 | -68.2 | -177.1 | 174.2 | -177.4 | -4.1 | 113.1 | E470 R495 | E470-R472 PolarHBondContact O-N 2.88Å; R472-R495 WeakPolarHBondContact O-CD 3.46Å; R472-R495 PolarHBondContact O-NH1 3.41Å |
| 473 | C | 76.3 | Confident | 74.7 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -90.7 | 171.8 | -178.8 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | I450 E470 L490 T491 | I450-C473 WeakPolarHBondContact CG2-O 3.21Å; E470-C473 PolarHBondContact O-N 3.24Å; E470-C473 VanDerWaalsContact O-N 3.1Å; C473-L490 HydrophobicContact CB-CB 4.33Å; C473-L490 PolarHBondContact SG-O 2.72Å; C473-T491 VanDerWaalsContact SG-C 3.51Å |
| 474 | F | 86.6 | Confident | 74.4 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | trans | -65.5 | 138 | 169.2 | -68.1 | -103.6 | 0 | 0 | 0 | 110.2 | F355 L363 Y444 I450 I455 C487 L490 I498 | F355-F474 HydrophobicContact CE1-CB 4.33Å; F355-F474 HydrophobicContact CE1-CD1 4.37Å; F355-F474 AromaticContact CE1-CD2 3.99Å; F355-F474 HydrophobicContact CE1-CD2 3.99Å; F355-F474 HydrophobicContact CE1-CE2 4.38Å; F355-F474 HydrophobicContact CE1-CG 4Å; F355-F474 HydrophobicContact CZ-CD1 4.42Å; F355-F474 AromaticContact CZ-CD2 3.97Å; F355-F474 HydrophobicContact CZ-CD2 3.97Å; F355-F474 HydrophobicContact CZ-CE1 4.32Å; F355-F474 AromaticContact CZ-CE2 3.88Å; F355-F474 HydrophobicContact CZ-CE2 3.88Å; F355-F474 HydrophobicContact CZ-CG 4.26Å; F355-F474 HydrophobicContact CZ-CZ 4.07Å; L363-F474 HydrophobicContact CD2-CD1 4.35Å; Y444-F474 AromaticContact CD1-CE1 3.83Å; Y444-F474 HydrophobicContact CD1-CE1 3.83Å; Y444-F474 HydrophobicContact CE1-CE1 4.45Å; Y444-F474 HydrophobicContact CG-CE1 4.31Å; I450-F474 HydrophobicContact CD1-CD1 4.05Å; I450-F474 HydrophobicContact CD1-CD2 4.48Å; I450-F474 HydrophobicContact CD1-CE1 3.57Å; I450-F474 HydrophobicContact CD1-CE2 4.03Å; I450-F474 HydrophobicContact CD1-CG 4.49Å; I450-F474 HydrophobicContact CD1-CZ 3.54Å; I450-F474 HydrophobicContact CG1-CD1 4.31Å; I450-F474 HydrophobicContact CG1-CE1 4.18Å; I450-F474 HydrophobicContact CG2-CB 4.45Å; I450-F474 HydrophobicContact CG2-CD1 4.39Å; I450-F474 HydrophobicContact CG2-CG 4.23Å; I455-F474 HydrophobicContact CD1-CD1 4.12Å; F474-C487 HydrophobicContact CB-CB 4.31Å; F474-C487 WeakPolarHBondContact O-CB 3.43Å; F474-L490 HydrophobicContact CB-CD1 3.83Å; F474-L490 HydrophobicContact CD2-CD1 4.17Å; F474-L490 HydrophobicContact CG-CD1 4.41Å; F474-I498 HydrophobicContact CE2-CG2 4.03Å | ||
| 475 | T | 89.2 | Confident | 74.5 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | trans | -117.7 | 123.4 | 168 | -42.7 | 0 | 0 | 0 | 0 | 107.1 | T454 I455 N485 | T454-T475 WeakPolarHBondContact OG1-CB 3.3Å; T454-T475 VanDerWaalsContact OG1-CG2 3.24Å; T454-T475 WeakPolarHBondContact OG1-CG2 3.35Å; T454-T475 PolarHBondContact OG1-O 3.33Å; I455-T475 WeakPolarHBondContact CB-O 3.33Å; I455-T475 PolarHBondContact N-O 3.44Å; T475-N485 HydrophobicContact CG2-CB 4.33Å | ||
| 476 | V | 92.6 | Very high | 74.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -130.5 | 113.9 | -179.2 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | V359 L362 L363 I455 N485 L486 C487 | V359-V476 HydrophobicContact CG1-CG2 4.02Å; V359-V476 HydrophobicContact CG2-CG1 4.46Å; L362-V476 HydrophobicContact CB-CG1 4.38Å; L362-V476 HydrophobicContact CD1-CG1 4.07Å; L363-V476 HydrophobicContact CD2-CG2 4.23Å; I455-V476 HydrophobicContact CB-CB 4.49Å; I455-V476 HydrophobicContact CB-CG2 4.03Å; I455-V476 HydrophobicContact CD1-CG2 4.15Å; I455-V476 HydrophobicContact CG2-CG1 4.41Å; I455-V476 HydrophobicContact CG2-CG2 4.37Å; V476-N485 PolarHBondContact N-OD1 2.77Å; V476-N485 CarbonylContact O-C 3.59Å; V476-N485 WeakPolarHBondContact O-CA 3.4Å; V476-N485 PolarHBondContact O-OD1 2.84Å; V476-L486 HydrophobicContact CB-CB 4.38Å; V476-L486 HydrophobicContact CG1-CB 4.43Å; V476-L486 HydrophobicContact CG1-CD1 4.29Å; V476-L486 PolarHBondContact O-N 2.67Å; V476-C487 WeakPolarHBondContact CG2-SG 3.45Å |
| 477 | T | 91.2 | Very high | 76.4 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 132.5 | -175.9 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | T454 I455 P479 P482 | T454-T477 WeakPolarHBondContact CG2-OG1 3.3Å; T454-T477 PolarHBondContact OG1-OG1 3.4Å; I455-T477 PolarHBondContact O-N 2.72Å; T477-P479 WeakPolarHBondContact O-CD 3.3Å; T477-P482 HydrophobicContact CG2-CB 4.41Å |
| 478 | D | 90.3 | Very high | 78.1 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | trans | -64.1 | 122.1 | 170.5 | -175 | -48 | 0 | 0 | 0 | 110.2 | F480 N481 H484 L486 | D478-F480 PolarHBondContact O-N 3.37Å; D478-F480 VanDerWaalsContact O-N 3.08Å; D478-F480 PolarHBondContact OD1-N 2.79Å; D478-N481 HydrophobicContact CB-CB 4.22Å; D478-N481 CarbonylContact O-C 2.8Å; D478-N481 VanDerWaalsContact O-C 3.3Å; D478-N481 PolarHBondContact O-N 2.97Å; D478-N481 PolarHBondContact OD1-N 3.17Å; D478-N481 VanDerWaalsContact OD1-N 3.08Å; D478-H484 HydrophobicContact CB-CB 4.02Å; D478-H484 PolarHBondContact N-O 2.93Å; D478-H484 IonicContact OD2-ND1 3.09Å; D478-L486 HydrophobicContact CB-CD1 4.43Å; D478-L486 HydrophobicContact CB-CD2 4.27Å; D478-L486 HydrophobicContact CB-CG 4.2Å | ||
| 479 | P | 92.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -57.7 | -22.1 | -177.5 | -29.3 | 37.6 | 0 | 0 | 0 | 115.9 | L317 L320 L362 I457 V458 T477 | L317-P479 HydrophobicContact CD1-CG 3.85Å; L320-P479 HydrophobicContact CD2-CB 3.92Å; L320-P479 HydrophobicContact CD2-CG 4.1Å; L362-P479 HydrophobicContact CD2-CG 4.37Å; I457-P479 HydrophobicContact CD1-CG 4.07Å; I457-P479 HydrophobicContact CG1-CG 3.93Å; V458-P479 HydrophobicContact CG2-CB 3.61Å; V458-P479 HydrophobicContact CG2-CG 4.41Å; T477-P479 WeakPolarHBondContact O-CD 3.3Å |
| 480 | F | 91.1 | Very high | 81.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -113.7 | -12.7 | -177.6 | -56.5 | -73.4 | 0 | 0 | 0 | 113 | Y313 D316 L317 L320 V398 P400 C405 F407 D478 | Y313-F480 HydrophobicContact CD1-CB 4.24Å; Y313-F480 HydrophobicContact CD2-CB 3.76Å; Y313-F480 HydrophobicContact CG-CB 3.6Å; Y313-F480 HydrophobicContact CG-CG 4.4Å; D316-F480 HydrophobicContact CB-CE2 4.3Å; D316-F480 HydrophobicContact CB-CZ 4.34Å; L317-F480 HydrophobicContact CB-CD2 4.21Å; L317-F480 HydrophobicContact CB-CE2 4.15Å; L317-F480 HydrophobicContact CD1-CE2 4.41Å; L320-F480 HydrophobicContact CB-CE2 4.35Å; L320-F480 HydrophobicContact CB-CZ 4.29Å; L320-F480 HydrophobicContact CD2-CE2 3.91Å; L320-F480 HydrophobicContact CD2-CZ 3.89Å; V398-F480 HydrophobicContact CB-CD1 3.91Å; V398-F480 HydrophobicContact CB-CE1 3.79Å; V398-F480 HydrophobicContact CG1-CD1 3.53Å; V398-F480 HydrophobicContact CG1-CE1 3.87Å; V398-F480 HydrophobicContact CG1-CG 4.34Å; V398-F480 HydrophobicContact CG2-CD1 4.25Å; V398-F480 HydrophobicContact CG2-CE1 3.7Å; V398-F480 HydrophobicContact CG2-CZ 4.4Å; P400-F480 HydrophobicContact CG-CB 4.46Å; P400-F480 WeakPolarHBondContact CG-O 3.34Å; C405-F480 HydrophobicContact CB-CD1 3.66Å; C405-F480 HydrophobicContact CB-CE1 3.93Å; C405-F480 WeakPolarHBondContact O-CE1 3.4Å; F407-F480 HydrophobicContact CD1-CE1 4.25Å; F407-F480 HydrophobicContact CD1-CZ 4.05Å; F407-F480 HydrophobicContact CE1-CE1 4.06Å; F407-F480 AromaticContact CE1-CZ 3.62Å; F407-F480 HydrophobicContact CE1-CZ 3.62Å; D478-F480 PolarHBondContact O-N 3.37Å; D478-F480 VanDerWaalsContact O-N 3.08Å; D478-F480 PolarHBondContact OD1-N 2.79Å |
| 481 | N | 83.7 | Confident | 83.2 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | trans | -128.1 | 84.6 | 168.9 | -175.8 | -5.4 | 0 | 0 | 0 | 110.9 | D478 K483 H484 | D478-N481 HydrophobicContact CB-CB 4.22Å; D478-N481 CarbonylContact O-C 2.8Å; D478-N481 VanDerWaalsContact O-C 3.3Å; D478-N481 PolarHBondContact O-N 2.97Å; D478-N481 PolarHBondContact OD1-N 3.17Å; D478-N481 VanDerWaalsContact OD1-N 3.08Å; N481-K483 PolarHBondContact O-N 3.46Å; N481-K483 PolarHBondContact OD1-N 2.73Å; N481-H484 HydrophobicContact CB-CB 4.06Å; N481-H484 WeakPolarHBondContact O-CB 3.46Å; N481-H484 PolarHBondContact O-N 2.67Å | ||
| 482 | P | 80 | Confident | 84.3 | Confident | 83 Ų | 83 | 39.7 Ų | 39.7 | 54% | 0.539 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -10.1 | -174.8 | -27.4 | 36.3 | 0 | 0 | 0 | 116.4 | T477 | T477-P482 HydrophobicContact CG2-CB 4.41Š|
| 483 | K | 79.5 | Confident | 84.9 | Confident | 162 Ų | 162 | 34 Ų | 34 | 70% | 0.704 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -15.9 | 173.7 | -61.5 | 173.8 | -175.7 | 166 | 0 | 113.1 | N481 | N481-K483 PolarHBondContact O-N 3.46Å; N481-K483 PolarHBondContact OD1-N 2.73Å |
| 484 | H | 82.3 | Confident | 85.1 | Confident | 49 Ų | 49 | 33.6 Ų | 33.6 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | trans | -94.2 | 121.4 | -174.1 | -173.2 | -127.6 | 0 | 0 | 0 | 111.3 | D478 N481 R488 | D478-H484 HydrophobicContact CB-CB 4.02Å; D478-H484 PolarHBondContact N-O 2.93Å; D478-H484 IonicContact OD2-ND1 3.09Å; N481-H484 HydrophobicContact CB-CB 4.06Å; N481-H484 WeakPolarHBondContact O-CB 3.46Å; N481-H484 PolarHBondContact O-N 2.67Å; H484-R488 PolarHBondContact NE2-NE 2.88Å | ||
| 485 | N | 87.3 | Confident | 85 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -92.7 | 109.4 | 171.4 | 176 | 18.2 | 0 | 0 | 0 | 109.4 | T475 V476 C487 R488 | T475-N485 HydrophobicContact CG2-CB 4.33Å; V476-N485 PolarHBondContact N-OD1 2.77Å; V476-N485 CarbonylContact O-C 3.59Å; V476-N485 WeakPolarHBondContact O-CA 3.4Å; V476-N485 PolarHBondContact O-OD1 2.84Å; N485-C487 PolarHBondContact O-N 2.92Å; N485-C487 WeakPolarHBondContact OD1-CB 3.47Å; N485-C487 PolarHBondContact OD1-N 2.82Å; N485-R488 HydrophobicContact CB-CB 4.26Å; N485-R488 PolarHBondContact ND2-N 3.46Å; N485-R488 VanDerWaalsContact O-CB 3.28Å; N485-R488 WeakPolarHBondContact O-CB 3.27Å; N485-R488 VanDerWaalsContact O-CD 3.29Å; N485-R488 WeakPolarHBondContact O-CD 3.41Å; N485-R488 VanDerWaalsContact O-CG 3.29Å; N485-R488 WeakPolarHBondContact O-CG 3.31Å; N485-R488 PolarHBondContact O-N 3.3Å |
| 486 | L | 89 | Confident | 84.6 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -8.4 | 176.8 | -62.7 | 173.9 | 0 | 0 | 0 | 113.4 | V359 L362 V476 D478 | V359-L486 HydrophobicContact CG2-CB 3.64Å; L362-L486 HydrophobicContact CD1-CD1 3.5Å; L362-L486 VanDerWaalsContact CD1-CD1 3.5Å; V476-L486 HydrophobicContact CB-CB 4.38Å; V476-L486 HydrophobicContact CG1-CB 4.43Å; V476-L486 HydrophobicContact CG1-CD1 4.29Å; V476-L486 PolarHBondContact O-N 2.67Å; D478-L486 HydrophobicContact CB-CD1 4.43Å; D478-L486 HydrophobicContact CB-CD2 4.27Å; D478-L486 HydrophobicContact CB-CG 4.2Å |
| 487 | C | 89.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 14.6 | 175 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | F474 V476 N485 N489 L490 | F474-C487 HydrophobicContact CB-CB 4.31Å; F474-C487 WeakPolarHBondContact O-CB 3.43Å; V476-C487 WeakPolarHBondContact CG2-SG 3.45Å; N485-C487 PolarHBondContact O-N 2.92Å; N485-C487 WeakPolarHBondContact OD1-CB 3.47Å; N485-C487 PolarHBondContact OD1-N 2.82Å; C487-N489 PolarHBondContact O-N 2.94Å; C487-N489 VanDerWaalsContact O-N 3.07Å; C487-L490 HydrophobicContact CB-CD1 3.63Å; C487-L490 HydrophobicContact CB-CG 3.84Å; C487-L490 VanDerWaalsContact O-CB 3.31Å; C487-L490 WeakPolarHBondContact O-CB 3.45Å; C487-L490 WeakPolarHBondContact O-CG 3.47Å; C487-L490 PolarHBondContact O-N 2.99Å |
| 488 | R | 83.4 | Confident | 84.1 | Confident | 110 Ų | 110 | 38.3 Ų | 38.3 | 42% | 0.415 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.3 | -179.8 | 69.7 | -160.4 | -161.6 | 110.8 | -0.3 | 115 | D171 H484 N485 | D171-R488 IonicContact OD1-CZ 3.5Å; D171-R488 VanDerWaalsContact OD1-CZ 3.31Å; D171-R488 IonicContact OD1-NH1 3.24Å; D171-R488 PolarHBondContact OD1-NH1 3.17Å; D171-R488 IonicContact OD1-NH2 2.86Å; D171-R488 PolarHBondContact OD1-NH2 3.37Å; D171-R488 IonicContact OD2-CZ 3.37Å; D171-R488 IonicContact OD2-NH1 2.74Å; D171-R488 PolarHBondContact OD2-NH1 3.35Å; D171-R488 IonicContact OD2-NH2 2.72Å; H484-R488 PolarHBondContact NE2-NE 2.88Å; N485-R488 HydrophobicContact CB-CB 4.26Å; N485-R488 PolarHBondContact ND2-N 3.46Å; N485-R488 VanDerWaalsContact O-CB 3.28Å; N485-R488 WeakPolarHBondContact O-CB 3.27Å; N485-R488 VanDerWaalsContact O-CD 3.29Å; N485-R488 WeakPolarHBondContact O-CD 3.41Å; N485-R488 VanDerWaalsContact O-CG 3.29Å; N485-R488 WeakPolarHBondContact O-CG 3.31Å; N485-R488 PolarHBondContact O-N 3.3Å |
| 489 | N | 81.3 | Confident | 84 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -13 | 174.2 | 69.7 | -35.6 | 0 | 0 | 0 | 113.5 | P350 T354 C487 T491 | P350-N489 WeakPolarHBondContact CA-ND2 3.48Å; P350-N489 PolarHBondContact O-ND2 3.49Å; T354-N489 PolarHBondContact O-ND2 3.23Å; C487-N489 PolarHBondContact O-N 2.94Å; C487-N489 VanDerWaalsContact O-N 3.07Å; N489-T491 PolarHBondContact O-N 2.84Å |
| 490 | L | 85.2 | Confident | 83.7 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | trans | -76.9 | 108.1 | -174.9 | -59.3 | -170 | 0 | 0 | 0 | 111.4 | G353 T354 F355 C473 F474 C487 I498 | G353-L490 WeakPolarHBondContact O-CD2 3.46Å; T354-L490 WeakPolarHBondContact O-CD2 3.37Å; F355-L490 HydrophobicContact CD1-CD1 3.93Å; F355-L490 HydrophobicContact CD1-CD2 4.34Å; F355-L490 HydrophobicContact CE1-CD1 3.71Å; C473-L490 HydrophobicContact CB-CB 4.33Å; C473-L490 PolarHBondContact SG-O 2.72Å; F474-L490 HydrophobicContact CB-CD1 3.83Å; F474-L490 HydrophobicContact CD2-CD1 4.17Å; F474-L490 HydrophobicContact CG-CD1 4.41Å; C487-L490 HydrophobicContact CB-CD1 3.63Å; C487-L490 HydrophobicContact CB-CG 3.84Å; C487-L490 VanDerWaalsContact O-CB 3.31Å; C487-L490 WeakPolarHBondContact O-CB 3.45Å; C487-L490 WeakPolarHBondContact O-CG 3.47Å; C487-L490 PolarHBondContact O-N 2.99Å; L490-I498 HydrophobicContact CD1-CD1 4.26Å; L490-I498 HydrophobicContact CD2-CD1 3.98Å | ||
| 491 | T | 79.3 | Confident | 83.6 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | trans | -80.7 | 165.3 | 171.7 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | C473 N489 V493 S494 R495 Q1069 | C473-T491 VanDerWaalsContact SG-C 3.51Å; N489-T491 PolarHBondContact O-N 2.84Å; T491-V493 PolarHBondContact O-N 3.34Å; T491-S494 WeakPolarHBondContact O-CB 3.49Å; T491-S494 PolarHBondContact O-N 3.3Å; T491-S494 PolarHBondContact OG1-N 2.9Å; T491-S494 PolarHBondContact OG1-OG 3.11Å; T491-R495 PolarHBondContact O-N 3.41Å; T491-Q1069 HydrophobicContact CG2-CB 4.11Å; T491-Q1069 HydrophobicContact CG2-CG 4.38Å; T491-Q1069 PolarHBondContact OG1-OE1 2.77Å | ||
| 492 | Q | 77.3 | Confident | 84 | Confident | 63 Ų | 63 | 38.4 Ų | 38.4 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -50.3 | -43 | 171.3 | 174.4 | 66.6 | 61.1 | 0 | 0 | 112.3 | R495 D496 | Q492-R495 PolarHBondContact O-N 3Å; Q492-D496 VanDerWaalsContact NE2-CG 3.3Å; Q492-D496 PolarHBondContact NE2-OD1 3.17Å; Q492-D496 VanDerWaalsContact NE2-OD1 3.12Å; Q492-D496 PolarHBondContact NE2-OD2 3.11Å; Q492-D496 PolarHBondContact O-N 3.49Å; Q492-D496 VanDerWaalsContact O-OD2 3.11Å |
| 493 | V | 76.1 | Confident | 84.4 | Confident | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.297 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | T491 R495 D496 Y497 T1076 | T491-V493 PolarHBondContact O-N 3.34Å; V493-R495 VanDerWaalsContact C-N 3.34Å; V493-D496 PolarHBondContact O-N 3Å; V493-Y497 PolarHBondContact O-N 3.04Å; V493-T1076 HydrophobicContact CG1-CG2 4.1Å |
| 494 | S | 81.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 179.2 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | G353 T491 Y497 I498 | G353-S494 WeakPolarHBondContact O-CB 3.19Å; G353-S494 PolarHBondContact O-OG 2.99Å; T491-S494 WeakPolarHBondContact O-CB 3.49Å; T491-S494 PolarHBondContact O-N 3.3Å; T491-S494 PolarHBondContact OG1-N 2.9Å; T491-S494 PolarHBondContact OG1-OG 3.11Å; S494-Y497 WeakPolarHBondContact O-CB 3.49Å; S494-Y497 PolarHBondContact O-N 2.94Å; S494-I498 WeakPolarHBondContact O-CD1 3.2Å; S494-I498 VanDerWaalsContact O-CG1 3.24Å; S494-I498 WeakPolarHBondContact O-CG1 3.25Å; S494-I498 PolarHBondContact O-N 2.97Å |
| 495 | R | 84.1 | Confident | 85.2 | Confident | 58 Ų | 58 | 24.9 Ų | 24.9 | 22% | 0.219 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 171.7 | -174.3 | -152.4 | 76.3 | 155.3 | 4.7 | 112.1 | R472 T491 Q492 V493 Y497 I498 N499 | R472-R495 WeakPolarHBondContact O-CD 3.46Å; R472-R495 PolarHBondContact O-NH1 3.41Å; T491-R495 PolarHBondContact O-N 3.41Å; Q492-R495 PolarHBondContact O-N 3Å; V493-R495 VanDerWaalsContact C-N 3.34Å; R495-Y497 VanDerWaalsContact C-N 3.31Å; R495-Y497 PolarHBondContact O-N 3.15Å; R495-I498 PolarHBondContact O-N 3.44Å; R495-N499 WeakPolarHBondContact O-CB 3.05Å; R495-N499 VanDerWaalsContact O-CG 3.27Å; R495-N499 PolarHBondContact O-N 3.03Å; R495-N499 PolarHBondContact O-ND2 3.18Å |
| 496 | D | 79.8 | Confident | 85.5 | Confident | 69 Ų | 69 | 24.1 Ų | 24.1 | 37% | 0.369 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -68.3 | -34.6 | -179.4 | -62.9 | -25.2 | 0 | 0 | 0 | 111.2 | Q492 V493 S500 | Q492-D496 VanDerWaalsContact NE2-CG 3.3Å; Q492-D496 PolarHBondContact NE2-OD1 3.17Å; Q492-D496 VanDerWaalsContact NE2-OD1 3.12Å; Q492-D496 PolarHBondContact NE2-OD2 3.11Å; Q492-D496 PolarHBondContact O-N 3.49Å; Q492-D496 VanDerWaalsContact O-OD2 3.11Å; V493-D496 PolarHBondContact O-N 3Å; D496-S500 PolarHBondContact O-N 3.43Å |
| 497 | Y | 84.9 | Confident | 85.5 | Confident | 23 Ų | 23 | 24 Ų | 24 | 9% | 0.09 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -52.2 | 167.4 | -179.1 | -90.2 | 0 | 0 | 0 | 112.1 | G345 L347 V493 S494 R495 N499 S500 Q501 H1062 D1064 P1066 | G345-Y497 VanDerWaalsContact O-CE1 3.31Å; G345-Y497 WeakPolarHBondContact O-CE1 3.39Å; G345-Y497 PolarHBondContact O-OH 3.21Å; G345-Y497 VanDerWaalsContact O-OH 3.12Å; L347-Y497 HydrophobicContact CD2-CD1 4.16Å; L347-Y497 HydrophobicContact CD2-CE1 3.97Å; V493-Y497 PolarHBondContact O-N 3.04Å; S494-Y497 WeakPolarHBondContact O-CB 3.49Å; S494-Y497 PolarHBondContact O-N 2.94Å; R495-Y497 VanDerWaalsContact C-N 3.31Å; R495-Y497 PolarHBondContact O-N 3.15Å; Y497-N499 VanDerWaalsContact C-N 3.31Å; Y497-N499 PolarHBondContact O-N 3.23Å; Y497-S500 PolarHBondContact O-N 3.07Å; Y497-S500 VanDerWaalsContact O-N 3.08Å; Y497-S500 PolarHBondContact O-OG 2.91Å; Y497-Q501 HydrophobicContact CD1-CG 4.18Å; Y497-Q501 HydrophobicContact CE1-CG 3.87Å; Y497-Q501 WeakPolarHBondContact O-CG 3.18Å; Y497-Q501 PolarHBondContact O-N 3.47Å; Y497-Q501 VanDerWaalsContact O-N 3.07Å; Y497-Q501 PolarHBondContact OH-NE2 3.41Å; Y497-Q501 VanDerWaalsContact OH-NE2 3.14Å; Y497-H1062 AromaticContact CD2-CD2 3.59Å; Y497-H1062 HydrophobicContact CE2-CB 3.7Å; Y497-H1062 AromaticContact CE2-CD2 3.68Å; Y497-D1064 PolarHBondContact OH-O 3.32Å; Y497-P1066 HydrophobicContact CD1-CB 3.99Å; Y497-P1066 HydrophobicContact CD1-CG 3.9Å; Y497-P1066 HydrophobicContact CD2-CB 3.96Å; Y497-P1066 HydrophobicContact CE1-CB 4.09Å; Y497-P1066 HydrophobicContact CE1-CG 3.73Å; Y497-P1066 HydrophobicContact CE2-CB 4.04Å; Y497-P1066 HydrophobicContact CE2-CG 4.47Å; Y497-P1066 HydrophobicContact CG-CB 3.93Å; Y497-P1066 HydrophobicContact CG-CG 4.36Å |
| 498 | I | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.3 | -49.1 | 176.4 | -71.6 | 158.4 | 0 | 0 | 0 | 110.4 | L347 F355 F474 L490 S494 R495 S500 Q501 L502 | L347-I498 HydrophobicContact CD2-CB 4.45Å; L347-I498 HydrophobicContact CD2-CG1 4Å; F355-I498 HydrophobicContact CD2-CD1 4.39Å; F355-I498 HydrophobicContact CE1-CD1 4.26Å; F355-I498 HydrophobicContact CE2-CD1 4.05Å; F355-I498 HydrophobicContact CE2-CG1 4.22Å; F355-I498 HydrophobicContact CE2-CG2 3.69Å; F355-I498 HydrophobicContact CZ-CD1 3.99Å; F355-I498 HydrophobicContact CZ-CG2 3.81Å; F474-I498 HydrophobicContact CE2-CG2 4.03Å; L490-I498 HydrophobicContact CD1-CD1 4.26Å; L490-I498 HydrophobicContact CD2-CD1 3.98Å; S494-I498 WeakPolarHBondContact O-CD1 3.2Å; S494-I498 VanDerWaalsContact O-CG1 3.24Å; S494-I498 WeakPolarHBondContact O-CG1 3.25Å; S494-I498 PolarHBondContact O-N 2.97Å; R495-I498 PolarHBondContact O-N 3.44Å; I498-S500 VanDerWaalsContact C-N 3.34Å; I498-S500 PolarHBondContact O-N 3.37Å; I498-Q501 PolarHBondContact O-N 3.24Å; I498-L502 HydrophobicContact CG2-CD1 3.84Å; I498-L502 HydrophobicContact CG2-CG 4.29Å; I498-L502 WeakPolarHBondContact O-CG 3.29Å; I498-L502 PolarHBondContact O-N 2.72Å |
| 499 | N | 88.3 | Confident | 86 | Confident | 30 Ų | 30 | 18.9 Ų | 18.9 | 16% | 0.16 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.8 | -74.7 | -20.9 | 0 | 0 | 0 | 112.1 | R495 Y497 Q501 L502 L503 | R495-N499 WeakPolarHBondContact O-CB 3.05Å; R495-N499 VanDerWaalsContact O-CG 3.27Å; R495-N499 PolarHBondContact O-N 3.03Å; R495-N499 PolarHBondContact O-ND2 3.18Å; Y497-N499 VanDerWaalsContact C-N 3.31Å; Y497-N499 PolarHBondContact O-N 3.23Å; N499-Q501 VanDerWaalsContact C-N 3.34Å; N499-Q501 PolarHBondContact O-N 3.18Å; N499-L502 PolarHBondContact O-N 2.84Å; N499-L503 WeakPolarHBondContact O-CB 3.38Å; N499-L503 PolarHBondContact O-N 2.86Å |
| 500 | S | 84 | Confident | 86.5 | Confident | 25 Ų | 25 | 18 Ų | 18 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.1 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | D496 Y497 I498 A504 A1061 H1062 | D496-S500 PolarHBondContact O-N 3.43Å; Y497-S500 PolarHBondContact O-N 3.07Å; Y497-S500 VanDerWaalsContact O-N 3.08Å; Y497-S500 PolarHBondContact O-OG 2.91Å; I498-S500 VanDerWaalsContact C-N 3.34Å; I498-S500 PolarHBondContact O-N 3.37Å; S500-A504 WeakPolarHBondContact O-CB 3.1Å; S500-A504 PolarHBondContact O-N 2.72Å; S500-A1061 WeakPolarHBondContact O-CB 3.27Å; S500-H1062 PolarHBondContact OG-CD2 3.23Å |
| 501 | Q | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.6 | -40.9 | 179.5 | -60.3 | -75.5 | 51.9 | 0 | 0 | 111.6 | G345 L347 Y497 I498 N499 A504 A505 H1062 | G345-Q501 PolarHBondContact O-NE2 2.93Å; G345-Q501 VanDerWaalsContact O-NE2 3.15Å; L347-Q501 HydrophobicContact CD1-CB 4.45Å; L347-Q501 HydrophobicContact CD2-CB 3.99Å; L347-Q501 HydrophobicContact CD2-CG 3.94Å; Y497-Q501 HydrophobicContact CD1-CG 4.18Å; Y497-Q501 HydrophobicContact CE1-CG 3.87Å; Y497-Q501 WeakPolarHBondContact O-CG 3.18Å; Y497-Q501 PolarHBondContact O-N 3.47Å; Y497-Q501 VanDerWaalsContact O-N 3.07Å; Y497-Q501 PolarHBondContact OH-NE2 3.41Å; Y497-Q501 VanDerWaalsContact OH-NE2 3.14Å; I498-Q501 PolarHBondContact O-N 3.24Å; N499-Q501 VanDerWaalsContact C-N 3.34Å; N499-Q501 PolarHBondContact O-N 3.18Å; Q501-A504 PolarHBondContact O-N 2.95Å; Q501-A505 PolarHBondContact O-N 3.4Å; Q501-H1062 PolarHBondContact NE2-O 2.91Å; Q501-H1062 PolarHBondContact OE1-O 2.95Å |
| 502 | L | 92.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 173.9 | -68.2 | 177.2 | 0 | 0 | 0 | 111.7 | F338 L341 L441 L445 I498 N499 A504 A505 Y506 | F338-L502 HydrophobicContact CE2-CD2 3.79Å; F338-L502 HydrophobicContact CZ-CD2 4.4Å; L341-L502 HydrophobicContact CD2-CD2 4.42Å; L441-L502 HydrophobicContact CD2-CD2 3.79Å; L445-L502 HydrophobicContact CD1-CB 4.37Å; L445-L502 HydrophobicContact CD2-CB 3.8Å; L445-L502 HydrophobicContact CG-CB 4.12Å; I498-L502 HydrophobicContact CG2-CD1 3.84Å; I498-L502 HydrophobicContact CG2-CG 4.29Å; I498-L502 WeakPolarHBondContact O-CG 3.29Å; I498-L502 PolarHBondContact O-N 2.72Å; N499-L502 PolarHBondContact O-N 2.84Å; L502-A504 VanDerWaalsContact C-N 3.35Å; L502-A505 PolarHBondContact O-N 2.95Å; L502-Y506 WeakPolarHBondContact O-CB 3.24Å; L502-Y506 PolarHBondContact O-N 3Å |
| 503 | L | 88.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 14.5 Ų | 14.5 | 5% | 0.047 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -38 | 178.4 | -167.3 | 72 | 0 | 0 | 0 | 111.2 | L76 K77 L80 L445 F446 N499 Y506 G507 | L76-L503 HydrophobicContact CD2-CD2 3.68Å; L76-L503 HydrophobicContact CD2-CG 4.27Å; L76-L503 HydrophobicContact CG-CD2 4.07Å; K77-L503 HydrophobicContact CB-CD2 4.31Å; K77-L503 HydrophobicContact CG-CD1 4.4Å; L80-L503 HydrophobicContact CB-CD1 4.22Å; L80-L503 HydrophobicContact CD1-CD1 3.48Å; L80-L503 VanDerWaalsContact CD1-CD1 3.48Å; L80-L503 HydrophobicContact CD1-CG 3.64Å; L80-L503 HydrophobicContact CG-CD1 4.49Å; L445-L503 HydrophobicContact CD1-CD1 4.2Å; L445-L503 HydrophobicContact CD2-CB 4.1Å; L445-L503 HydrophobicContact CD2-CD1 4.24Å; F446-L503 HydrophobicContact CZ-CD1 3.93Å; N499-L503 WeakPolarHBondContact O-CB 3.38Å; N499-L503 PolarHBondContact O-N 2.86Å; L503-Y506 PolarHBondContact O-N 3.2Å; L503-G507 PolarHBondContact O-N 3.11Å |
| 504 | A | 87 | Confident | 87.8 | Confident | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S500 Q501 L502 Y506 G507 Y508 V1047 A1061 | S500-A504 WeakPolarHBondContact O-CB 3.1Å; S500-A504 PolarHBondContact O-N 2.72Å; Q501-A504 PolarHBondContact O-N 2.95Å; L502-A504 VanDerWaalsContact C-N 3.35Å; A504-Y506 VanDerWaalsContact C-N 3.35Å; A504-Y506 PolarHBondContact O-N 3.48Å; A504-G507 PolarHBondContact O-N 3.49Å; A504-Y508 VanDerWaalsContact O-CB 3.27Å; A504-Y508 WeakPolarHBondContact O-CB 3.49Å; A504-Y508 PolarHBondContact O-N 3.33Å; A504-V1047 HydrophobicContact CB-CG1 4.26Å; A504-V1047 HydrophobicContact CB-CG2 3.64Å; A504-A1061 HydrophobicContact CB-CB 4.08Å; A504-A1061 VanDerWaalsContact CB-N 3.28Å |
| 505 | A | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L341 L441 Q501 L502 G507 Y508 F509 L1059 | L341-A505 HydrophobicContact CD1-CB 3.96Å; L341-A505 HydrophobicContact CD2-CB 3.65Å; L341-A505 HydrophobicContact CG-CB 4.48Å; L441-A505 HydrophobicContact CD1-CB 4.16Å; Q501-A505 PolarHBondContact O-N 3.4Å; L502-A505 PolarHBondContact O-N 2.95Å; A505-G507 PolarHBondContact O-N 3.23Å; A505-Y508 PolarHBondContact O-N 3.09Å; A505-F509 HydrophobicContact CB-CD2 4.41Å; A505-F509 HydrophobicContact CB-CE2 4.36Å; A505-F509 WeakPolarHBondContact O-CD2 3.37Å; A505-F509 PolarHBondContact O-N 2.87Å; A505-L1059 HydrophobicContact CB-CD1 4.18Å; A505-L1059 PolarHBondContact N-O 2.66Å |
| 506 | Y | 93.5 | Very high | 87.3 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 178.7 | -173.5 | -114.3 | 0 | 0 | 0 | 112.4 | L80 L83 L438 L441 R442 L445 F446 L502 L503 A504 G510 | L80-Y506 HydrophobicContact CB-CD1 4.13Å; L80-Y506 HydrophobicContact CB-CE1 4.21Å; L80-Y506 HydrophobicContact CD2-CD1 4.19Å; L80-Y506 HydrophobicContact CD2-CE1 4.49Å; L80-Y506 WeakPolarHBondContact O-CE1 2.93Å; L83-Y506 HydrophobicContact CD1-CD1 4.24Å; L83-Y506 HydrophobicContact CD1-CE1 3.62Å; L438-Y506 HydrophobicContact CB-CE2 4.28Å; L438-Y506 HydrophobicContact CD2-CD2 4.17Å; L438-Y506 HydrophobicContact CD2-CE2 4.3Å; L438-Y506 WeakPolarHBondContact O-CE2 3.15Å; L441-Y506 HydrophobicContact CB-CD2 3.78Å; L441-Y506 HydrophobicContact CB-CG 4.31Å; L441-Y506 HydrophobicContact CD1-CD2 4.49Å; R442-Y506 HydrophobicContact CB-CE2 3.8Å; R442-Y506 HydrophobicContact CG-CE2 4.46Å; L445-Y506 HydrophobicContact CD1-CD1 4.08Å; L445-Y506 HydrophobicContact CD1-CG 3.94Å; F446-Y506 AromaticContact CE2-CD1 3.88Å; F446-Y506 HydrophobicContact CE2-CD1 3.88Å; F446-Y506 AromaticContact CE2-CE1 3.71Å; F446-Y506 HydrophobicContact CE2-CE1 3.71Å; L502-Y506 WeakPolarHBondContact O-CB 3.24Å; L502-Y506 PolarHBondContact O-N 3Å; L503-Y506 PolarHBondContact O-N 3.2Å; A504-Y506 VanDerWaalsContact C-N 3.35Å; A504-Y506 PolarHBondContact O-N 3.48Å; Y506-G510 WeakPolarHBondContact O-CA 3.11Å; Y506-G510 PolarHBondContact O-N 2.82Å |
| 507 | G | 88.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L503 A504 A505 V511 H520 | L503-G507 PolarHBondContact O-N 3.11Å; A504-G507 PolarHBondContact O-N 3.49Å; A505-G507 PolarHBondContact O-N 3.23Å; G507-V511 WeakPolarHBondContact O-CB 3.3Å; G507-V511 PolarHBondContact O-N 2.84Å; G507-V511 VanDerWaalsContact O-N 3.12Å; G507-H520 PolarHBondContact O-CE1 3.43Å |
| 508 | Y | 89.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.02 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | -178.9 | -177.8 | -97.8 | 0 | 0 | 0 | 113.3 | A504 A505 R513 K1029 L1059 | A504-Y508 VanDerWaalsContact O-CB 3.27Å; A504-Y508 WeakPolarHBondContact O-CB 3.49Å; A504-Y508 PolarHBondContact O-N 3.33Å; A505-Y508 PolarHBondContact O-N 3.09Å; Y508-R513 VanDerWaalsContact CE2-CZ 3.47Å; Y508-R513 VanDerWaalsContact O-CD 3.3Å; Y508-R513 WeakPolarHBondContact O-CD 3.44Å; Y508-K1029 PolarHBondContact OH-O 3.01Å; Y508-L1059 HydrophobicContact CD1-CB 4.3Å; Y508-L1059 HydrophobicContact CD1-CD1 3.83Å; Y508-L1059 HydrophobicContact CE1-CB 4.38Å; Y508-L1059 HydrophobicContact CE1-CD1 4.31Å; Y508-L1059 HydrophobicContact CG-CB 4.46Å; Y508-L1059 HydrophobicContact CG-CD1 4.44Å |
| 509 | F | 93 | Very high | 85.5 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -94.3 | -33.1 | 178.6 | -62.2 | -63.4 | 0 | 0 | 0 | 113.8 | H90 L94 L98 W437 L438 L441 A505 F1028 F1030 L1059 | H90-F509 PolarHBondContact CE1-O 3.34Å; H90-F509 VanDerWaalsContact CE1-O 3.28Å; H90-F509 PolarHBondContact NE2-O 3.3Å; L94-F509 HydrophobicContact CD1-CB 4.1Å; L94-F509 HydrophobicContact CD1-CD1 3.5Å; L94-F509 VanDerWaalsContact CD1-CD1 3.5Å; L94-F509 HydrophobicContact CD1-CE1 4.26Å; L94-F509 HydrophobicContact CD1-CG 4.13Å; L94-F509 HydrophobicContact CD2-CB 4.2Å; L98-F509 HydrophobicContact CD2-CE1 4.39Å; W437-F509 AromaticContact CD1-CD2 3.89Å; W437-F509 AromaticContact CE2-CE2 3.84Å; W437-F509 HydrophobicContact CZ2-CD2 4.45Å; W437-F509 AromaticContact CZ2-CE2 3.89Å; W437-F509 HydrophobicContact CZ2-CE2 3.89Å; W437-F509 AromaticContact NE1-CD2 3.04Å; W437-F509 AromaticContact NE1-CE2 3.17Å; W437-F509 AromaticContact NE1-CG 3.68Å; W437-F509 AromaticContact NE1-CZ 3.89Å; L438-F509 HydrophobicContact CD2-CB 3.73Å; L441-F509 HydrophobicContact CD1-CD2 4.46Å; A505-F509 HydrophobicContact CB-CD2 4.41Å; A505-F509 HydrophobicContact CB-CE2 4.36Å; A505-F509 WeakPolarHBondContact O-CD2 3.37Å; A505-F509 PolarHBondContact O-N 2.87Å; F509-F1028 HydrophobicContact CD1-CB 4.22Å; F509-F1028 HydrophobicContact CD1-CD1 4.48Å; F509-F1028 HydrophobicContact CE1-CB 4.45Å; F509-F1028 WeakPolarHBondContact CE1-O 3.41Å; F509-F1030 HydrophobicContact CE1-CD2 4.22Å; F509-F1030 HydrophobicContact CE2-CE2 4.23Å; F509-F1030 AromaticContact CZ-CD2 3.62Å; F509-F1030 HydrophobicContact CZ-CD2 3.62Å; F509-F1030 AromaticContact CZ-CE2 3.7Å; F509-F1030 HydrophobicContact CZ-CE2 3.7Å; F509-F1030 HydrophobicContact CZ-CG 4.2Å; F509-F1030 HydrophobicContact CZ-CZ 4.35Å; F509-L1059 HydrophobicContact CD2-CD1 4.28Å; F509-L1059 HydrophobicContact CE1-CD1 4.5Å; F509-L1059 HydrophobicContact CE2-CD1 3.31Å; F509-L1059 HydrophobicContact CZ-CD1 3.45Å; F509-L1059 VanDerWaalsContact CZ-CD1 3.45Å |
| 510 | G | 91.8 | Very high | 85.1 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -85.4 | -27 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L83 H90 Y506 | L83-G510 WeakPolarHBondContact CD2-O 3.4Å; H90-G510 PolarHBondContact CE1-O 3.41Å; Y506-G510 WeakPolarHBondContact O-CA 3.11Å; Y506-G510 PolarHBondContact O-N 2.82Å |
| 511 | V | 89.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -96.3 | 119.1 | 173 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | L80 L83 H90 G507 R513 H520 F522 L1048 | L80-V511 HydrophobicContact CD2-CG2 3.96Å; L83-V511 HydrophobicContact CD1-CG2 4.08Å; L83-V511 HydrophobicContact CD2-CG2 4.02Å; L83-V511 HydrophobicContact CG-CG2 4.34Å; H90-V511 VanDerWaalsContact CE1-C 3.46Å; G507-V511 WeakPolarHBondContact O-CB 3.3Å; G507-V511 PolarHBondContact O-N 2.84Å; G507-V511 VanDerWaalsContact O-N 3.12Å; V511-R513 PolarHBondContact O-N 2.89Å; V511-H520 WeakPolarHBondContact CB-ND1 3.46Å; V511-H520 HydrophobicContact CG1-CB 3.71Å; V511-H520 VanDerWaalsContact CG1-ND1 3.3Å; V511-H520 WeakPolarHBondContact CG1-ND1 3.29Å; V511-H520 PolarHBondContact O-ND1 3Å; V511-F522 HydrophobicContact CG1-CD2 4.09Å; V511-F522 HydrophobicContact CG1-CE1 4.35Å; V511-F522 HydrophobicContact CG1-CE2 3.8Å; V511-F522 HydrophobicContact CG1-CG 4.47Å; V511-F522 HydrophobicContact CG1-CZ 3.95Å; V511-F522 VanDerWaalsContact CG1-O 3.29Å; V511-F522 WeakPolarHBondContact CG1-O 3.29Å; V511-F522 HydrophobicContact CG2-CE2 4.19Å; V511-L1048 HydrophobicContact CB-CD2 3.81Å; V511-L1048 HydrophobicContact CG1-CD2 4.3Å; V511-L1048 HydrophobicContact CG2-CD1 3.95Å; V511-L1048 HydrophobicContact CG2-CD2 3.58Å; V511-L1048 HydrophobicContact CG2-CG 4.44Å |
| 512 | P | 88.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | trans | -39.1 | 117.8 | 174.3 | -35 | 37.4 | 0 | 0 | 0 | 114.6 | H90 H520 L521 F522 L1018 F1026 | H90-P512 WeakPolarHBondContact CE1-CD 3.3Å; P512-H520 CarbonylContact O-C 3.51Å; P512-H520 VanDerWaalsContact O-CA 3.25Å; P512-H520 WeakPolarHBondContact O-CA 3.47Å; P512-L521 HydrophobicContact CB-CB 4.19Å; P512-L521 PolarHBondContact O-N 3.21Å; P512-F522 HydrophobicContact CG-CE1 3.93Å; P512-F522 HydrophobicContact CG-CZ 4.46Å; P512-L1018 HydrophobicContact CB-CD2 3.77Å; P512-L1018 HydrophobicContact CG-CD2 3.46Å; P512-L1018 VanDerWaalsContact CG-CD2 3.46Å; P512-F1026 HydrophobicContact CB-CD1 4.47Å; P512-F1026 HydrophobicContact CB-CE1 3.98Å | ||
| 513 | R | 86.6 | Confident | 83.8 | Confident | 9 Ų | 9 | 17.9 Ų | 17.9 | 3% | 0.034 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -113.5 | 129.8 | 178 | -71.5 | -177.7 | 71.7 | -108.7 | 0.6 | 111.4 | Y508 V511 G518 R519 H520 F1026 D1027 F1028 S1057 | Y508-R513 VanDerWaalsContact CE2-CZ 3.47Å; Y508-R513 VanDerWaalsContact O-CD 3.3Å; Y508-R513 WeakPolarHBondContact O-CD 3.44Å; V511-R513 PolarHBondContact O-N 2.89Å; R513-G518 PolarHBondContact NE-O 3.42Å; R513-G518 PolarHBondContact NH2-O 3.36Å; R513-R519 CarbonylContact C-O 3.55Å; R513-R519 VanDerWaalsContact CA-O 3.25Å; R513-R519 WeakPolarHBondContact CA-O 3.32Å; R513-H520 VanDerWaalsContact CG-CE1 3.46Å; R513-H520 WeakPolarHBondContact CG-CE1 3.45Å; R513-H520 WeakPolarHBondContact CG-ND1 3.34Å; R513-F1026 CarbonylContact O-C 3.56Å; R513-F1026 VanDerWaalsContact O-CA 3.23Å; R513-F1026 WeakPolarHBondContact O-CA 3.12Å; R513-D1027 WeakPolarHBondContact CB-O 3.41Å; R513-D1027 IonicContact CZ-OD2 2.73Å; R513-D1027 PolarHBondContact NH1-O 2.87Å; R513-D1027 IonicContact NH1-OD2 3.1Å; R513-D1027 PolarHBondContact NH1-OD2 2.96Å; R513-D1027 IonicContact NH2-OD2 3.95Å; R513-D1027 PolarHBondContact O-N 3.4Å; R513-F1028 HydrophobicContact CB-CE1 4.39Å; R513-S1057 PolarHBondContact NE-OG 2.6Å |
| 514 | L | 82.4 | Confident | 83.2 | Confident | 25 Ų | 25 | 20.1 Ų | 20.1 | 13% | 0.131 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -83.8 | 137.7 | -177.4 | -66.4 | 176 | 0 | 0 | 0 | 113.4 | I516 G518 R519 L521 L1021 D1025 | L514-I516 PolarHBondContact O-N 2.85Å; L514-G518 VanDerWaalsContact O-CA 3.31Å; L514-G518 WeakPolarHBondContact O-CA 3.36Å; L514-G518 PolarHBondContact O-N 3.43Å; L514-R519 PolarHBondContact N-O 2.96Å; L514-L521 HydrophobicContact CD1-CD1 3.92Å; L514-L521 HydrophobicContact CD2-CD1 4.21Å; L514-L521 HydrophobicContact CG-CD1 4.2Å; L514-L1021 HydrophobicContact CD2-CD1 4.13Å; L514-L1021 HydrophobicContact CD2-CD2 4.22Å; L514-D1025 CarbonylContact C-O 3.58Å; L514-D1025 VanDerWaalsContact CA-O 3.3Å; L514-D1025 WeakPolarHBondContact CA-O 3.25Å |
| 515 | T | 82.6 | Confident | 82.8 | Confident | 69 Ų | 69 | 21 Ų | 21 | 42% | 0.423 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.9 | 174.9 | 47.2 | 0 | 0 | 0 | 0 | 114.1 | D1024 D1025 F1026 D1027 | T515-D1024 VanDerWaalsContact CG2-O 3.28Å; T515-D1024 WeakPolarHBondContact CG2-O 3.31Å; T515-D1024 PolarHBondContact OG1-O 3.11Å; T515-D1025 PolarHBondContact N-O 2.96Å; T515-D1025 PolarHBondContact OG1-O 2.77Å; T515-F1026 WeakPolarHBondContact CG2-O 3.42Å; T515-D1027 HydrophobicContact CG2-CB 4.12Å |
| 516 | I | 72.7 | Confident | 82.3 | Confident | 55 Ų | 55 | 22.8 Ų | 22.8 | 28% | 0.282 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.7 | -170.9 | -41.5 | 177.7 | 0 | 0 | 0 | 112 | L514 A605 V606 | L514-I516 PolarHBondContact O-N 2.85Å; I516-A605 VanDerWaalsContact CG2-O 3.24Å; I516-A605 WeakPolarHBondContact CG2-O 3.22Å; I516-V606 HydrophobicContact CG2-CG2 3.55Å |
| 517 | N | 71.3 | Confident | 81.6 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -139.6 | -5.6 | -171.7 | 64.4 | 12.9 | 0 | 0 | 0 | 114.5 | R519 | N517-R519 PolarHBondContact O-N 3.06Å; N517-R519 WeakPolarHBondContact OD1-CB 3.41Å; N517-R519 PolarHBondContact OD1-N 3.44Å |
| 518 | G | 71.7 | Confident | 80.7 | Confident | 8 Ų | 8 | 28 Ų | 28 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 68.2 | 10.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R513 L514 P1056 | R513-G518 PolarHBondContact NE-O 3.42Å; R513-G518 PolarHBondContact NH2-O 3.36Å; L514-G518 VanDerWaalsContact O-CA 3.31Å; L514-G518 WeakPolarHBondContact O-CA 3.36Å; L514-G518 PolarHBondContact O-N 3.43Å; G518-P1056 WeakPolarHBondContact O-CA 3.47Å; G518-P1056 VanDerWaalsContact O-CB 3.25Å; G518-P1056 WeakPolarHBondContact O-CB 3.35Å |
| 519 | R | 73.1 | Confident | 78.9 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | trans | -83.6 | 161.5 | 174.8 | -65.6 | -171.6 | -175.8 | 175.4 | 1.7 | 111.4 | R513 L514 N517 N1054 | R513-R519 CarbonylContact C-O 3.55Å; R513-R519 VanDerWaalsContact CA-O 3.25Å; R513-R519 WeakPolarHBondContact CA-O 3.32Å; L514-R519 PolarHBondContact N-O 2.96Å; N517-R519 PolarHBondContact O-N 3.06Å; N517-R519 WeakPolarHBondContact OD1-CB 3.41Å; N517-R519 PolarHBondContact OD1-N 3.44Å; R519-N1054 PolarHBondContact NE-O 3.35Å; R519-N1054 PolarHBondContact NH1-OD1 2.91Å; R519-N1054 PolarHBondContact NH2-O 3.31Å; R519-N1054 VanDerWaalsContact NH2-O 3.15Å; R519-N1054 PolarHBondContact NH2-OD1 3.22Å | ||
| 520 | H | 79 | Confident | 76.8 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 9% | 0.088 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 152.2 | 166.8 | -61.5 | -74 | 0 | 0 | 0 | 111.6 | G507 V511 P512 R513 F522 T523 L1048 S1057 | G507-H520 PolarHBondContact O-CE1 3.43Å; V511-H520 WeakPolarHBondContact CB-ND1 3.46Å; V511-H520 HydrophobicContact CG1-CB 3.71Å; V511-H520 VanDerWaalsContact CG1-ND1 3.3Å; V511-H520 WeakPolarHBondContact CG1-ND1 3.29Å; V511-H520 PolarHBondContact O-ND1 3Å; P512-H520 CarbonylContact O-C 3.51Å; P512-H520 VanDerWaalsContact O-CA 3.25Å; P512-H520 WeakPolarHBondContact O-CA 3.47Å; R513-H520 VanDerWaalsContact CG-CE1 3.46Å; R513-H520 WeakPolarHBondContact CG-CE1 3.45Å; R513-H520 WeakPolarHBondContact CG-ND1 3.34Å; H520-F522 VanDerWaalsContact C-N 3.34Å; H520-F522 WeakPolarHBondContact CB-O 3.39Å; H520-T523 HydrophobicContact CB-CG2 4.45Å; H520-L1048 WeakPolarHBondContact CE1-CD2 3.25Å; H520-L1048 WeakPolarHBondContact NE2-CD2 3.17Å; H520-S1057 PolarHBondContact CE1-OG 3.04Å; H520-S1057 VanDerWaalsContact CE1-OG 3.27Å; H520-S1057 WeakPolarHBondContact NE2-CB 3.41Å; H520-S1057 PolarHBondContact NE2-OG 3.35Å |
| 521 | L | 79.6 | Confident | 74 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.5 | -28.8 | 171.8 | -157.6 | 75.1 | 0 | 0 | 0 | 112.4 | P512 L514 L1017 L1018 L1021 | P512-L521 HydrophobicContact CB-CB 4.19Å; P512-L521 PolarHBondContact O-N 3.21Å; L514-L521 HydrophobicContact CD1-CD1 3.92Å; L514-L521 HydrophobicContact CD2-CD1 4.21Å; L514-L521 HydrophobicContact CG-CD1 4.2Å; L521-L1017 HydrophobicContact CD1-CD2 3.78Å; L521-L1017 HydrophobicContact CD2-CD2 3.78Å; L521-L1017 HydrophobicContact CG-CD2 4.04Å; L521-L1018 HydrophobicContact CD2-CD2 3.31Å; L521-L1018 HydrophobicContact CD2-CG 3.68Å; L521-L1021 HydrophobicContact CD1-CD1 4.24Å; L521-L1021 HydrophobicContact CD2-CD1 3.83Å |
| 522 | F | 80.9 | Confident | 71.4 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | trans | -146.1 | 150.7 | 175.7 | 59 | -93.9 | 0 | 0 | 0 | 110.3 | L83 V511 P512 H520 I525 D1011 Y1012 Y1013 L1018 | L83-F522 HydrophobicContact CD2-CE2 4.21Å; L83-F522 HydrophobicContact CD2-CZ 4.1Å; V511-F522 HydrophobicContact CG1-CD2 4.09Å; V511-F522 HydrophobicContact CG1-CE1 4.35Å; V511-F522 HydrophobicContact CG1-CE2 3.8Å; V511-F522 HydrophobicContact CG1-CG 4.47Å; V511-F522 HydrophobicContact CG1-CZ 3.95Å; V511-F522 VanDerWaalsContact CG1-O 3.29Å; V511-F522 WeakPolarHBondContact CG1-O 3.29Å; V511-F522 HydrophobicContact CG2-CE2 4.19Å; P512-F522 HydrophobicContact CG-CE1 3.93Å; P512-F522 HydrophobicContact CG-CZ 4.46Å; H520-F522 VanDerWaalsContact C-N 3.34Å; H520-F522 WeakPolarHBondContact CB-O 3.39Å; F522-I525 HydrophobicContact CD2-CD1 4.42Å; F522-I525 HydrophobicContact CD2-CG1 4.18Å; F522-I525 HydrophobicContact CE2-CD1 3.84Å; F522-I525 HydrophobicContact CE2-CG1 4.07Å; F522-D1011 CarbonylContact C-O 3.59Å; F522-D1011 WeakPolarHBondContact CA-O 3.3Å; F522-Y1012 VanDerWaalsContact CB-C 3.44Å; F522-Y1012 WeakPolarHBondContact CB-O 3.38Å; F522-Y1013 HydrophobicContact CD1-CD2 4.09Å; F522-Y1013 AromaticContact CE1-CD2 3.73Å; F522-Y1013 HydrophobicContact CE1-CD2 3.73Å; F522-Y1013 HydrophobicContact CE1-CE2 4.37Å; F522-Y1013 HydrophobicContact CE2-CD2 4.38Å; F522-Y1013 AromaticContact CZ-CD2 3.9Å; F522-Y1013 HydrophobicContact CZ-CD2 3.9Å; F522-L1018 HydrophobicContact CE1-CD1 4.03Å | ||
| 523 | T | 77.1 | Confident | 68.5 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -123.3 | -4.4 | 172.1 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | H520 D1011 L1048 | H520-T523 HydrophobicContact CB-CG2 4.45Å; T523-D1011 PolarHBondContact N-O 3Å; T523-L1048 VanDerWaalsContact CG2-O 3.25Å; T523-L1048 WeakPolarHBondContact CG2-O 3.28Å |
| 524 | H | 76.4 | Confident | 65.6 | Low | 55 Ų | 55 | 68.6 Ų | 68.6 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 143.2 | 179.2 | -66.6 | -73.5 | 0 | 0 | 0 | 111 | D1011 Y1012 Y1013 R1053 | H524-D1011 PolarHBondContact N-O 2.9Å; H524-Y1012 HydrophobicContact CB-CD1 3.7Å; H524-Y1012 HydrophobicContact CB-CE1 3.66Å; H524-Y1012 HydrophobicContact CB-CG 4.16Å; H524-Y1013 PolarHBondContact O-N 2.8Å; H524-R1053 PolarHBondContact NE2-NE 3.02Å; H524-R1053 PolarHBondContact NE2-NH2 2.99Å |
| 525 | I | 79.6 | Confident | 63 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | trans | -129.2 | 121.4 | 174.8 | -73.9 | 166.2 | 0 | 0 | 0 | 107.6 | T79 L83 F522 V527 P1004 | T79-I525 HydrophobicContact CG2-CB 4.19Å; T79-I525 HydrophobicContact CG2-CD1 4.07Å; T79-I525 HydrophobicContact CG2-CG1 4.12Å; T79-I525 WeakPolarHBondContact O-CD1 3.47Å; L83-I525 HydrophobicContact CD2-CD1 4.41Å; L83-I525 HydrophobicContact CG-CD1 4.48Å; F522-I525 HydrophobicContact CD2-CD1 4.42Å; F522-I525 HydrophobicContact CD2-CG1 4.18Å; F522-I525 HydrophobicContact CE2-CD1 3.84Å; F522-I525 HydrophobicContact CE2-CG1 4.07Å; I525-V527 HydrophobicContact CG2-CG1 4.12Å; I525-P1004 HydrophobicContact CG2-CB 3.73Å | ||
| 526 | S | 79.9 | Confident | 60.3 | Low | 37 Ų | 37 | 79.4 Ų | 79.4 | 26% | 0.259 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.2 | 167.1 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | P1004 I1005 | S526-P1004 CarbonylContact O-C 3.38Å; S526-P1004 VanDerWaalsContact O-CA 3.32Å; S526-P1004 WeakPolarHBondContact O-CA 3.39Å; S526-I1005 PolarHBondContact O-N 3.12Å |
| 527 | V | 78.9 | Confident | 58.3 | Low | 35 Ų | 35 | 84 Ų | 84 | 21% | 0.212 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.4 | 177.8 | -84.4 | 0 | 0 | 0 | 0 | 110.8 | Y82 I525 E529 A1002 | Y82-V527 HydrophobicContact CD1-CB 4.42Å; Y82-V527 HydrophobicContact CD1-CG1 3.69Å; Y82-V527 HydrophobicContact CD1-CG2 4.25Å; Y82-V527 HydrophobicContact CD2-CG1 4.47Å; Y82-V527 HydrophobicContact CD2-CG2 4.12Å; Y82-V527 HydrophobicContact CE1-CG1 4.45Å; Y82-V527 HydrophobicContact CE1-CG2 4.35Å; Y82-V527 HydrophobicContact CE2-CG2 4.23Å; Y82-V527 HydrophobicContact CG-CG1 3.74Å; Y82-V527 HydrophobicContact CG-CG2 4.17Å; I525-V527 HydrophobicContact CG2-CG1 4.12Å; V527-E529 PolarHBondContact O-N 3.3Å; V527-E529 VanDerWaalsContact O-N 3.11Å; V527-A1002 HydrophobicContact CB-CB 4.29Å |
| 528 | V | 69.9 | Low | 56.4 | Low | 81 Ų | 81 | 87.7 Ų | 87.7 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | trans | -72.1 | 103.8 | 174.3 | -176 | 0 | 0 | 0 | 0 | 109 | K530 A1002 I1005 | V528-K530 PolarHBondContact O-N 2.8Å; V528-A1002 WeakPolarHBondContact O-CB 3.37Å; V528-I1005 HydrophobicContact CG2-CD1 3.84Å; V528-I1005 HydrophobicContact CG2-CG1 3.75Å | ||
| 529 | E | 53.7 | Low | 54.2 | Low | 181 Ų | 181 | 92.3 Ų | 92.3 | 85% | 0.846 | 50% | 0.503 | S | S | * | . | trans | -61.8 | 110 | 170.4 | -69 | -162.8 | 149.4 | 0 | 0 | 110.1 | V527 S531 | V527-E529 PolarHBondContact O-N 3.3Å; V527-E529 VanDerWaalsContact O-N 3.11Å; E529-S531 PolarHBondContact O-N 2.79Å | ||
| 530 | K | 48.2 | Very low | 52.2 | Low | 185 Ų | 185 | 96.1 Ų | 96.1 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -70.4 | 112.9 | 158.1 | -74 | 179.4 | 178.7 | 172.4 | 0 | 106.6 | V528 | V528-K530 PolarHBondContact O-N 2.8Š| ||
| 531 | S | 33.7 | Very low | 50.1 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | trans | -51 | 137.4 | 174.6 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | E529 V533 | E529-S531 PolarHBondContact O-N 2.79Å; S531-V533 PolarHBondContact O-N 3.12Å | ||
| 532 | P | 33.5 | Very low | 47.6 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 84% | 0.838 | 59% | 0.591 | S | S | * | * | trans | -63.9 | 103.5 | -177.5 | -22.5 | 33.7 | 0 | 0 | 0 | 110.7 | E534 | P532-E534 PolarHBondContact O-N 3.26Å; P532-E534 VanDerWaalsContact O-N 3.14Å | ||
| 533 | V | 28.8 | Very low | 45.3 | Very low | 133 Ų | 133 | 115 Ų | 115 | 81% | 0.806 | 62% | 0.619 | S | S | * | * | trans | -66.3 | 113.2 | 167.4 | 179.4 | 0 | 0 | 0 | 0 | 106.6 | S531 | S531-V533 PolarHBondContact O-N 3.12Š| ||
| 534 | E | 25.1 | Very low | 43.1 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | trans | -51 | 136.6 | 176.5 | -68.8 | -171.5 | 126.9 | 0 | 0 | 110.3 | P532 K536 | P532-E534 PolarHBondContact O-N 3.26Å; P532-E534 VanDerWaalsContact O-N 3.14Å; E534-K536 VanDerWaalsContact C-N 3.26Å; E534-K536 PolarHBondContact O-N 2.97Å | ||
| 535 | P | 27 | Very low | 41 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -70.5 | 85.2 | 177 | 30 | -34.6 | 0 | 0 | 0 | 109.6 | D537 | P535-D537 PolarHBondContact O-N 3.38Š| ||
| 536 | K | 26 | Very low | 38.7 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | trans | -61.7 | 119 | 170.7 | -75 | -176.2 | 176.5 | 178 | 0 | 109.1 | E534 V538 | E534-K536 VanDerWaalsContact C-N 3.26Å; E534-K536 PolarHBondContact O-N 2.97Å; K536-V538 PolarHBondContact O-N 3.06Å | ||
| 537 | D | 30.4 | Very low | 36.2 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -57.2 | 125 | 175.4 | -88.6 | -51.3 | 0 | 0 | 0 | 111.3 | P535 | P535-D537 PolarHBondContact O-N 3.38Š| ||
| 538 | V | 31.7 | Very low | 33.7 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 62.7 | 96.2 | 142.2 | -175.5 | 0 | 0 | 0 | 0 | 117 | K536 | K536-V538 PolarHBondContact O-N 3.06Š| ||
| 539 | C | 27 | Very low | 31.6 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | trans | -41.2 | 149.5 | 145.9 | -103.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 540 | D | 29.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | -145.9 | 153 | 24.4 | -78.6 | -63.1 | 0 | 0 | 0 | 113.5 | ||||
| 541 | K | 34.4 | Very low | 29.4 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | -163.5 | 146.3 | 117.5 | -108.9 | 169.6 | -175.4 | -179.6 | 0 | 113.3 | |||||
| 542 | L | 27.5 | Very low | 29 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 167.4 | 175.6 | -51.5 | 90.1 | 0 | 0 | 0 | 110.3 | ||||
| 543 | D | 32.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | cis | -153.2 | 152.3 | 32.5 | -98.8 | -62 | 0 | 0 | 0 | 115.3 | ||||
| 544 | Q | 30.7 | Very low | 28.3 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | 42.2 | 119.4 | 141.3 | -60.1 | 165.9 | 52.9 | 0 | 0 | 121.6 | ||||
| 545 | N | 32.9 | Very low | 28.4 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | -174.3 | 143.4 | 103.7 | -98.7 | -50.3 | 0 | 0 | 0 | 117.1 | |||||
| 546 | T | 31.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 41 | 90 | 152.4 | 56.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 547 | S | 26.5 | Very low | 28.4 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | 34.8 | 125.4 | 114.5 | 62.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 548 | S | 26 | Very low | 28.1 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 102.4 | 137.2 | 117.6 | 68.5 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 549 | S | 26.4 | Very low | 27.8 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 74.5 | 105.9 | 148.1 | 42.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 550 | I | 27.5 | Very low | 27.8 | Very low | 151 Ų | 151 | 142 Ų | 142 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | 45.1 | 110.6 | 115.8 | -55.1 | 161.4 | 0 | 0 | 0 | 117.7 | |||||
| 551 | N | 27.6 | Very low | 27.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -167.3 | 165.1 | 111 | -112 | -47.9 | 0 | 0 | 0 | 114.4 | |||||
| 552 | Q | 25.7 | Very low | 27.4 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -79.1 | 138 | 168.9 | -61.3 | 167.2 | -29.7 | 0 | 0 | 110.9 | ||||
| 553 | T | 24.5 | Very low | 27.8 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -168.2 | 154.3 | 131.2 | 6.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 554 | T | 23.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 131.5 | 176.2 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 555 | V | 26.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -141.3 | 141.8 | 137.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 556 | S | 24.4 | Very low | 31.3 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | -57.6 | 155.8 | -179.1 | -39.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 557 | N | 29 | Very low | 32.9 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 92% | 0.92 | 73% | 0.725 | S | S | * | * | trans | -146.7 | 76.1 | 151.8 | -120.8 | -13.1 | 0 | 0 | 0 | 110.2 | K559 | N557-K559 PolarHBondContact O-N 3.12Š| ||
| 558 | D | 24.5 | Very low | 34.7 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -69 | 111.2 | 169.3 | -68.2 | -69.7 | 0 | 0 | 0 | 110.1 | ||||
| 559 | K | 25.6 | Very low | 36.5 | Very low | 198 Ų | 198 | 114.7 Ų | 114.7 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | 168.5 | 90 | 142.1 | -94.4 | 162.8 | -177.9 | -177.8 | 0 | 112.4 | N557 | N557-K559 PolarHBondContact O-N 3.12Š| ||
| 560 | M | 26.4 | Very low | 37.7 | Very low | 181 Ų | 181 | 113.7 Ų | 113.7 | 89% | 0.892 | 65% | 0.654 | S | S | * | * | trans | -156.9 | 82.1 | 139 | -124 | 174.1 | 176.2 | 0 | 0 | 110.6 | T562 | M560-T562 PolarHBondContact O-N 3.21Å; M560-T562 VanDerWaalsContact O-N 3.09Å | ||
| 561 | T | 24.6 | Very low | 39.1 | Very low | 148 Ų | 148 | 112.3 Ų | 112.3 | 91% | 0.908 | 65% | 0.647 | S | S | * | * | trans | -78.7 | 81.7 | 173.5 | 45.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 562 | T | 32 | Very low | 41 | Very low | 118 Ų | 118 | 105.3 Ų | 105.3 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -93.1 | 129.3 | 155.5 | 47.1 | 0 | 0 | 0 | 0 | 108.6 | M560 A564 | M560-T562 PolarHBondContact O-N 3.21Å; M560-T562 VanDerWaalsContact O-N 3.09Å; T562-A564 VanDerWaalsContact C-N 3.28Å; T562-A564 PolarHBondContact O-N 3.42Å | ||
| 563 | S | 35.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 101 Ų | 101 | 87% | 0.874 | 59% | 0.592 | S | S | * | * | trans | -78.5 | 74.4 | -175.5 | 40.8 | 0 | 0 | 0 | 0 | 111.3 | G565 | S563-G565 PolarHBondContact O-N 2.91Š| ||
| 564 | A | 47.2 | Very low | 45.1 | Very low | 87 Ų | 87 | 97.2 Ų | 97.2 | 72% | 0.719 | 57% | 0.566 | S | S | * | * | trans | -51 | 113.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T562 | T562-A564 VanDerWaalsContact C-N 3.28Å; T562-A564 PolarHBondContact O-N 3.42Å | ||
| 565 | G | 55.2 | Low | 47.2 | Very low | 42 Ų | 42 | 95.5 Ų | 95.5 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 136.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S563 | S563-G565 PolarHBondContact O-N 2.91Š|
| 566 | I | 67.7 | Low | 49.3 | Very low | 13 Ų | 13 | 91.7 Ų | 91.7 | 7% | 0.067 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.1 | 174.6 | -69.6 | 171.5 | 0 | 0 | 0 | 107.5 | F654 I658 L662 S715 A716 K718 I721 | I566-F654 HydrophobicContact CG2-CD1 3.6Å; I566-F654 HydrophobicContact CG2-CE1 4.13Å; I566-F654 HydrophobicContact CG2-CG 4.37Å; I566-I658 HydrophobicContact CD1-CG2 3.52Å; I566-I658 HydrophobicContact CG1-CG2 3.84Å; I566-I658 HydrophobicContact CG2-CD1 4.07Å; I566-I658 HydrophobicContact CG2-CG2 3.89Å; I566-L662 HydrophobicContact CD1-CD1 4.18Å; I566-L662 HydrophobicContact CD1-CD2 3.88Å; I566-L662 HydrophobicContact CD1-CG 4.14Å; I566-L662 HydrophobicContact CG2-CD1 4.49Å; I566-S715 WeakPolarHBondContact O-CA 3.36Å; I566-A716 PolarHBondContact N-O 2.83Å; I566-A716 PolarHBondContact O-N 3.37Å; I566-K718 HydrophobicContact CD1-CB 3.61Å; I566-K718 HydrophobicContact CD1-CD 4.1Å; I566-K718 HydrophobicContact CD1-CG 3.63Å; I566-I721 HydrophobicContact CB-CD1 3.68Å; I566-I721 HydrophobicContact CD1-CD1 3.97Å; I566-I721 HydrophobicContact CG1-CD1 4.38Å; I566-I721 HydrophobicContact CG2-CD1 3.79Å |
| 567 | H | 64.3 | Low | 51.8 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 139.6 | -178.3 | -133.8 | -74.5 | 0 | 0 | 0 | 111.2 | F714 | H567-F714 CarbonylContact C-O 3.58Å; H567-F714 WeakPolarHBondContact CA-O 3.42Å; H567-F714 PolarHBondContact CE1-O 2.99Å; H567-F714 PolarHBondContact ND1-O 3.09Å; H567-F714 VanDerWaalsContact ND1-O 3.13Å |
| 568 | L | 65.3 | Low | 54.5 | Low | 3 Ų | 3 | 84 Ų | 84 | 2% | 0.016 | 49% | 0.486 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 137.8 | 176.5 | -72 | 154.9 | 0 | 0 | 0 | 109.8 | L653 F654 F704 H708 F714 A716 | L568-L653 CarbonylContact C-O 3.58Å; L568-L653 VanDerWaalsContact CA-O 3.28Å; L568-L653 WeakPolarHBondContact CA-O 3.43Å; L568-L653 HydrophobicContact CD2-CB 4.48Å; L568-L653 HydrophobicContact CD2-CD2 4.14Å; L568-F654 HydrophobicContact CD2-CD1 3.91Å; L568-F654 HydrophobicContact CD2-CE1 3.31Å; L568-F654 HydrophobicContact CD2-CZ 3.87Å; L568-F654 HydrophobicContact CG-CD1 4.47Å; L568-F654 HydrophobicContact CG-CE1 4.06Å; L568-F704 HydrophobicContact CD1-CD1 4.23Å; L568-F704 HydrophobicContact CD2-CD1 3.64Å; L568-F704 HydrophobicContact CD2-CE1 4.08Å; L568-F704 HydrophobicContact CD2-CG 4.47Å; L568-H708 HydrophobicContact CD1-CB 3.44Å; L568-H708 VanDerWaalsContact CD1-CB 3.44Å; L568-F714 PolarHBondContact N-O 3.43Å; L568-A716 HydrophobicContact CD1-CB 4.35Å |
| 569 | T | 62.3 | Low | 56.9 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 14% | 0.135 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 120.7 | 174.2 | 40.9 | 0 | 0 | 0 | 0 | 110.9 | I571 E652 L653 F654 E655 | T569-I571 HydrophobicContact CG2-CD1 4.03Å; T569-I571 PolarHBondContact O-N 3.08Å; T569-E652 PolarHBondContact OG1-O 2.99Å; T569-L653 PolarHBondContact N-O 3.29Å; T569-L653 WeakPolarHBondContact OG1-CA 3.4Å; T569-L653 PolarHBondContact OG1-O 2.84Å; T569-L653 VanDerWaalsContact OG1-O 3.11Å; T569-F654 PolarHBondContact OG1-N 3.34Å; T569-E655 HydrophobicContact CG2-CG 4.48Å |
| 570 | P | 53.2 | Low | 58.9 | Low | 76 Ų | 76 | 75 Ų | 75 | 49% | 0.494 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 33.7 | 177.5 | 35.7 | -37.7 | 0 | 0 | 0 | 112.4 | F714 | P570-F714 HydrophobicContact CB-CD1 4.4Å; P570-F714 HydrophobicContact CB-CE1 4.12Å |
| 571 | I | 56.2 | Low | 61.5 | Low | 122 Ų | 122 | 67.2 Ų | 67.2 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -23.4 | -175.8 | -62.8 | 171.8 | 0 | 0 | 0 | 111 | T569 | T569-I571 HydrophobicContact CG2-CD1 4.03Å; T569-I571 PolarHBondContact O-N 3.08Å |
| 572 | I | 66.3 | Low | 64.3 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | trans | -82.7 | 123.7 | 177.9 | -53.3 | -171 | 0 | 0 | 0 | 110.1 | F578 E652 L653 W701 | I572-F578 HydrophobicContact CG2-CD1 3.23Å; I572-F578 HydrophobicContact CG2-CE1 3.48Å; I572-F578 VanDerWaalsContact CG2-CE1 3.48Å; I572-F578 HydrophobicContact CG2-CG 4.22Å; I572-E652 HydrophobicContact CD1-CB 3.6Å; I572-E652 HydrophobicContact CG1-CB 4.04Å; I572-E652 WeakPolarHBondContact CG1-O 3.39Å; I572-L653 HydrophobicContact CD1-CD2 3.69Å; I572-L653 HydrophobicContact CD1-CG 3.62Å; I572-L653 HydrophobicContact CG1-CD2 4.46Å; I572-W701 HydrophobicContact CD1-CB 4.29Å; I572-W701 HydrophobicContact CD1-CD2 4.15Å; I572-W701 HydrophobicContact CD1-CG 3.75Å | ||
| 573 | D | 61.3 | Low | 66.4 | Low | 84 Ų | 84 | 57.8 Ų | 57.8 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | trans | -110.5 | 133.9 | 177 | 178 | 14.1 | 0 | 0 | 0 | 109.7 | S575 F578 | D573-S575 VanDerWaalsContact C-N 3.31Å; D573-S575 VanDerWaalsContact CG-OG 3.25Å; D573-S575 VanDerWaalsContact OD1-CB 3.3Å; D573-S575 WeakPolarHBondContact OD1-CB 3.46Å; D573-S575 PolarHBondContact OD1-N 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; D573-S575 WeakPolarHBondContact OD2-CB 3.43Å; D573-S575 PolarHBondContact OD2-OG 3.34Å; D573-F578 WeakPolarHBondContact O-CD1 3.49Å | ||
| 574 | D | 75.6 | Confident | 68.4 | Low | 63 Ų | 63 | 53.3 Ų | 53.3 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.3 | 177.3 | 75.1 | -25.8 | 0 | 0 | 0 | 113.4 | D576 N577 F578 F705 | D574-D576 VanDerWaalsContact C-N 3.26Å; D574-D576 PolarHBondContact O-N 3.3Å; D574-N577 PolarHBondContact O-N 2.98Å; D574-F578 VanDerWaalsContact CA-CE1 3.49Å; D574-F578 HydrophobicContact CB-CD1 4.43Å; D574-F578 HydrophobicContact CB-CE1 3.55Å; D574-F578 HydrophobicContact CB-CZ 3.67Å; D574-F705 HydrophobicContact CB-CD1 4.24Å; D574-F705 HydrophobicContact CB-CE1 3.8Å; D574-F705 HydrophobicContact CB-CE2 4.3Å; D574-F705 HydrophobicContact CB-CZ 3.83Å; D574-F705 VanDerWaalsContact CG-CZ 3.42Å; D574-F705 WeakPolarHBondContact OD1-CZ 3.16Å; D574-F705 WeakPolarHBondContact OD2-CE1 3.23Å |
| 575 | S | 67.2 | Low | 70.1 | Confident | 94 Ų | 94 | 49.2 Ų | 49.2 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | -175 | 80.6 | 0 | 0 | 0 | 0 | 115.5 | D573 | D573-S575 VanDerWaalsContact C-N 3.31Å; D573-S575 VanDerWaalsContact CG-OG 3.25Å; D573-S575 VanDerWaalsContact OD1-CB 3.3Å; D573-S575 WeakPolarHBondContact OD1-CB 3.46Å; D573-S575 PolarHBondContact OD1-N 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; D573-S575 WeakPolarHBondContact OD2-CB 3.43Å; D573-S575 PolarHBondContact OD2-OG 3.34Å |
| 576 | D | 71.9 | Confident | 71.5 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 34% | 0.342 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 15 | 173.7 | 85 | -21.9 | 0 | 0 | 0 | 113.8 | D574 F578 E579 S580 | D574-D576 VanDerWaalsContact C-N 3.26Å; D574-D576 PolarHBondContact O-N 3.3Å; D576-F578 PolarHBondContact O-N 2.85Å; D576-F578 WeakPolarHBondContact OD1-CA 3.3Å; D576-F578 PolarHBondContact OD1-N 3.07Å; D576-E579 WeakPolarHBondContact O-CB 3.24Å; D576-E579 PolarHBondContact O-N 3.17Å; D576-E579 PolarHBondContact OD1-N 2.93Å; D576-E579 VanDerWaalsContact OD1-N 3.11Å; D576-S580 WeakPolarHBondContact OD2-CB 3.14Å; D576-S580 PolarHBondContact OD2-N 2.03Å |
| 577 | N | 76.6 | Confident | 71.8 | Confident | 100 Ų | 100 | 49.6 Ų | 49.6 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.7 | -167.9 | -74.5 | -80 | 0 | 0 | 0 | 113.7 | D574 E579 Y698 | D574-N577 PolarHBondContact O-N 2.98Å; N577-E579 PolarHBondContact O-N 3.46Å; N577-Y698 HydrophobicContact CB-CE2 4.16Å; N577-Y698 VanDerWaalsContact O-CE2 3.32Å; N577-Y698 WeakPolarHBondContact O-CE2 3.34Å; N577-Y698 PolarHBondContact OD1-OH 2.91Å |
| 578 | F | 84.9 | Confident | 72.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 11.8 | -176.1 | -38.3 | -62.4 | 0 | 0 | 0 | 114.5 | I572 D573 D574 D576 S580 N581 L582 Y698 W701 L702 F705 | I572-F578 HydrophobicContact CG2-CD1 3.23Å; I572-F578 HydrophobicContact CG2-CE1 3.48Å; I572-F578 VanDerWaalsContact CG2-CE1 3.48Å; I572-F578 HydrophobicContact CG2-CG 4.22Å; D573-F578 WeakPolarHBondContact O-CD1 3.49Å; D574-F578 VanDerWaalsContact CA-CE1 3.49Å; D574-F578 HydrophobicContact CB-CD1 4.43Å; D574-F578 HydrophobicContact CB-CE1 3.55Å; D574-F578 HydrophobicContact CB-CZ 3.67Å; D576-F578 PolarHBondContact O-N 2.85Å; D576-F578 WeakPolarHBondContact OD1-CA 3.3Å; D576-F578 PolarHBondContact OD1-N 3.07Å; F578-S580 PolarHBondContact O-N 3.34Å; F578-N581 PolarHBondContact O-N 2.57Å; F578-N581 VanDerWaalsContact O-N 3.09Å; F578-L582 VanDerWaalsContact O-CB 3.3Å; F578-L582 WeakPolarHBondContact O-CB 3.34Å; F578-L582 PolarHBondContact O-N 2.94Å; F578-Y698 AromaticContact CD2-CD2 3.86Å; F578-Y698 HydrophobicContact CD2-CD2 3.86Å; F578-Y698 AromaticContact CD2-CE2 3.89Å; F578-Y698 HydrophobicContact CD2-CE2 3.89Å; F578-Y698 HydrophobicContact CE2-CE2 4.34Å; F578-W701 HydrophobicContact CB-CE3 3.72Å; F578-W701 HydrophobicContact CB-CZ3 4.13Å; F578-W701 HydrophobicContact CD2-CB 4.27Å; F578-W701 HydrophobicContact CE2-CB 4.32Å; F578-W701 HydrophobicContact CG-CB 4.44Å; F578-W701 HydrophobicContact CG-CE3 4.21Å; F578-L702 HydrophobicContact CE2-CB 3.93Å; F578-L702 HydrophobicContact CE2-CD1 3.95Å; F578-L702 HydrophobicContact CZ-CD1 4.26Å; F578-F705 HydrophobicContact CE1-CD2 4.4Å; F578-F705 HydrophobicContact CE1-CG 4.48Å; F578-F705 HydrophobicContact CZ-CB 4.23Å; F578-F705 HydrophobicContact CZ-CG 4.31Å |
| 579 | E | 75.4 | Confident | 73.4 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -31.4 | -170.7 | -175.1 | 60.8 | -141.8 | 0 | 0 | 112.2 | D576 N577 L582 N583 R694 | D576-E579 WeakPolarHBondContact O-CB 3.24Å; D576-E579 PolarHBondContact O-N 3.17Å; D576-E579 PolarHBondContact OD1-N 2.93Å; D576-E579 VanDerWaalsContact OD1-N 3.11Å; N577-E579 PolarHBondContact O-N 3.46Å; E579-L582 PolarHBondContact O-N 2.96Å; E579-N583 WeakPolarHBondContact O-CB 3.29Å; E579-N583 PolarHBondContact O-N 3.49Å; E579-N583 PolarHBondContact O-ND2 2.74Å; E579-N583 PolarHBondContact OE1-ND2 2.97Å; E579-N583 PolarHBondContact OE1-OD1 3.29Å; E579-R694 IonicContact OE1-CZ 3.28Å; E579-R694 IonicContact OE1-NH1 2.67Å; E579-R694 PolarHBondContact OE1-NH1 3.3Å; E579-R694 IonicContact OE1-NH2 2.95Å; E579-R694 PolarHBondContact OE1-NH2 2.8Å; E579-R694 IonicContact OE2-CZ 2.68Å; E579-R694 IonicContact OE2-NH2 3.02Å; E579-R694 PolarHBondContact OE2-NH2 3.46Å |
| 580 | S | 67.3 | Low | 74.3 | Confident | 74 Ų | 74 | 46 Ų | 46 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.3 | -55.2 | 170.1 | -179.8 | 0 | 0 | 0 | 0 | 112.7 | D576 F578 L582 N583 K584 | D576-S580 WeakPolarHBondContact OD2-CB 3.14Å; D576-S580 PolarHBondContact OD2-N 2.03Å; F578-S580 PolarHBondContact O-N 3.34Å; S580-L582 VanDerWaalsContact C-N 3.28Å; S580-L582 PolarHBondContact O-N 2.72Å; S580-N583 PolarHBondContact O-N 2.7Å; S580-K584 PolarHBondContact O-N 2.9Å |
| 581 | N | 80.9 | Confident | 75.3 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.1 | -59.2 | 86.4 | 0 | 0 | 0 | 110.8 | F578 N583 K584 V585 E652 W701 | F578-N581 PolarHBondContact O-N 2.57Å; F578-N581 VanDerWaalsContact O-N 3.09Å; N581-N583 PolarHBondContact O-N 3.33Å; N581-K584 WeakPolarHBondContact O-CB 3.43Å; N581-K584 PolarHBondContact O-N 3.45Å; N581-V585 WeakPolarHBondContact O-CG2 3.13Å; N581-V585 PolarHBondContact O-N 3.21Å; N581-E652 PolarHBondContact ND2-OE2 2.92Å; N581-W701 HydrophobicContact CB-CE3 4.28Å; N581-W701 HydrophobicContact CB-CH2 3.63Å; N581-W701 HydrophobicContact CB-CZ2 4.32Å; N581-W701 HydrophobicContact CB-CZ3 3.6Å |
| 582 | L | 84.7 | Confident | 76.7 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | -179 | -153.6 | 70.2 | 0 | 0 | 0 | 111.2 | F578 E579 S580 T586 R694 A697 W701 | F578-L582 VanDerWaalsContact O-CB 3.3Å; F578-L582 WeakPolarHBondContact O-CB 3.34Å; F578-L582 PolarHBondContact O-N 2.94Å; E579-L582 PolarHBondContact O-N 2.96Å; S580-L582 VanDerWaalsContact C-N 3.28Å; S580-L582 PolarHBondContact O-N 2.72Å; L582-T586 VanDerWaalsContact O-CB 3.25Å; L582-T586 WeakPolarHBondContact O-CB 3.32Å; L582-T586 PolarHBondContact O-N 3.39Å; L582-T586 PolarHBondContact O-OG1 3.48Å; L582-R694 HydrophobicContact CD1-CB 4.5Å; L582-R694 HydrophobicContact CD2-CB 4.27Å; L582-R694 HydrophobicContact CD2-CG 4.22Å; L582-R694 HydrophobicContact CG-CB 4.4Å; L582-R694 HydrophobicContact CG-CG 4.07Å; L582-A697 HydrophobicContact CD1-CB 3.64Å; L582-W701 HydrophobicContact CB-CZ3 4.11Å; L582-W701 HydrophobicContact CD1-CE3 4.36Å; L582-W701 HydrophobicContact CD1-CH2 4.28Å; L582-W701 HydrophobicContact CD1-CZ3 3.64Å |
| 583 | N | 75.6 | Confident | 77.7 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71.5 | -34.4 | 174.8 | -72.9 | -50.3 | 0 | 0 | 0 | 112.9 | E579 S580 N581 T586 N587 R694 | E579-N583 WeakPolarHBondContact O-CB 3.29Å; E579-N583 PolarHBondContact O-N 3.49Å; E579-N583 PolarHBondContact O-ND2 2.74Å; E579-N583 PolarHBondContact OE1-ND2 2.97Å; E579-N583 PolarHBondContact OE1-OD1 3.29Å; S580-N583 PolarHBondContact O-N 2.7Å; N581-N583 PolarHBondContact O-N 3.33Å; N583-T586 PolarHBondContact O-N 3.17Å; N583-N587 WeakPolarHBondContact O-CB 3.33Å; N583-N587 PolarHBondContact O-N 3.17Å; N583-N587 PolarHBondContact O-ND2 2.87Å; N583-R694 PolarHBondContact OD1-NH1 3.36Å |
| 584 | K | 76.7 | Confident | 78.5 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -53 | 170.7 | 175.5 | -172.9 | 167.5 | -164.2 | 0 | 111.5 | S580 N581 N587 L588 E652 | S580-K584 PolarHBondContact O-N 2.9Å; N581-K584 WeakPolarHBondContact O-CB 3.43Å; N581-K584 PolarHBondContact O-N 3.45Å; K584-N587 PolarHBondContact O-N 3.23Å; K584-L588 HydrophobicContact CG-CD1 4.38Å; K584-L588 PolarHBondContact O-N 2.87Å; K584-E652 WeakPolarHBondContact CE-OE1 3.18Å; K584-E652 IonicContact NZ-OE1 2.88Å; K584-E652 PolarHBondContact NZ-OE1 3.43Å; K584-E652 IonicContact NZ-OE2 3.72Å; K584-E652 PolarHBondContact NZ-OE2 3.31Å |
| 585 | V | 84.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | N581 N587 L588 V589 Y648 V649 E652 T693 W701 | N581-V585 WeakPolarHBondContact O-CG2 3.13Å; N581-V585 PolarHBondContact O-N 3.21Å; V585-N587 VanDerWaalsContact C-N 3.28Å; V585-N587 PolarHBondContact O-N 3.07Å; V585-L588 PolarHBondContact O-N 3.38Å; V585-V589 HydrophobicContact CG1-CG2 4.31Å; V585-V589 WeakPolarHBondContact O-CB 3.31Å; V585-V589 WeakPolarHBondContact O-CG2 3.32Å; V585-V589 PolarHBondContact O-N 2.87Å; V585-Y648 WeakPolarHBondContact CG2-O 3.42Å; V585-V649 HydrophobicContact CG1-CG2 3.79Å; V585-E652 HydrophobicContact CG2-CG 4.1Å; V585-T693 HydrophobicContact CG1-CG2 3.62Å; V585-W701 HydrophobicContact CB-CH2 4.3Å; V585-W701 HydrophobicContact CG2-CH2 3.74Å; V585-W701 HydrophobicContact CG2-CZ2 3.77Å |
| 586 | T | 84.2 | Confident | 79.1 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.9 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L582 N583 T590 I690 R694 | L582-T586 VanDerWaalsContact O-CB 3.25Å; L582-T586 WeakPolarHBondContact O-CB 3.32Å; L582-T586 PolarHBondContact O-N 3.39Å; L582-T586 PolarHBondContact O-OG1 3.48Å; N583-T586 PolarHBondContact O-N 3.17Å; T586-T590 WeakPolarHBondContact O-CB 3.35Å; T586-T590 PolarHBondContact O-N 3.09Å; T586-T590 PolarHBondContact O-OG1 2.92Å; T586-I690 HydrophobicContact CG2-CB 4.4Å; T586-I690 HydrophobicContact CG2-CD1 4.17Å; T586-I690 HydrophobicContact CG2-CG1 3.94Å; T586-I690 HydrophobicContact CG2-CG2 3.77Å; T586-R694 WeakPolarHBondContact OG1-CG 3.07Å |
| 587 | N | 72.9 | Confident | 79.4 | Confident | 53 Ų | 53 | 38 Ų | 38 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 175.8 | -72.1 | -19.5 | 0 | 0 | 0 | 112.1 | N583 K584 V585 V589 T590 E591 N1054 | N583-N587 WeakPolarHBondContact O-CB 3.33Å; N583-N587 PolarHBondContact O-N 3.17Å; N583-N587 PolarHBondContact O-ND2 2.87Å; K584-N587 PolarHBondContact O-N 3.23Å; V585-N587 VanDerWaalsContact C-N 3.28Å; V585-N587 PolarHBondContact O-N 3.07Å; N587-V589 PolarHBondContact O-N 3.03Å; N587-T590 WeakPolarHBondContact O-CB 3.32Å; N587-T590 PolarHBondContact O-N 3.31Å; N587-T590 VanDerWaalsContact O-N 3.1Å; N587-E591 WeakPolarHBondContact O-CB 3.47Å; N587-E591 PolarHBondContact O-N 3.44Å; N587-N1054 VanDerWaalsContact ND2-CG 3.29Å; N587-N1054 PolarHBondContact ND2-ND2 2.94Å; N587-N1054 PolarHBondContact ND2-OD1 3.43Å |
| 588 | L | 80.7 | Confident | 78.5 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.8 | -71 | 168.8 | 0 | 0 | 0 | 112.1 | K584 V585 T590 E591 K592 Y648 P1010 | K584-L588 HydrophobicContact CG-CD1 4.38Å; K584-L588 PolarHBondContact O-N 2.87Å; V585-L588 PolarHBondContact O-N 3.38Å; L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.07Å; L588-E591 PolarHBondContact O-N 2.84Å; L588-K592 VanDerWaalsContact O-CB 3.28Å; L588-K592 WeakPolarHBondContact O-CB 3.4Å; L588-K592 PolarHBondContact O-N 3.36Å; L588-Y648 HydrophobicContact CB-CD1 4.4Å; L588-Y648 HydrophobicContact CB-CD2 3.68Å; L588-Y648 HydrophobicContact CB-CE2 3.88Å; L588-Y648 HydrophobicContact CB-CG 3.96Å; L588-Y648 HydrophobicContact CD1-CD1 4.29Å; L588-Y648 HydrophobicContact CD1-CG 4.26Å; L588-P1010 HydrophobicContact CD2-CB 4.06Å; L588-P1010 HydrophobicContact CD2-CG 4.49Å |
| 589 | V | 83.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 173.3 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | V585 N587 F593 M641 I645 Y648 F689 T693 | V585-V589 HydrophobicContact CG1-CG2 4.31Å; V585-V589 WeakPolarHBondContact O-CB 3.31Å; V585-V589 WeakPolarHBondContact O-CG2 3.32Å; V585-V589 PolarHBondContact O-N 2.87Å; N587-V589 PolarHBondContact O-N 3.03Å; V589-F593 VanDerWaalsContact O-CB 3.27Å; V589-F593 WeakPolarHBondContact O-CB 3.41Å; V589-F593 PolarHBondContact O-N 2.98Å; V589-M641 HydrophobicContact CB-CE 4.41Å; V589-M641 HydrophobicContact CG1-CE 3.74Å; V589-M641 WeakPolarHBondContact O-CE 3.45Å; V589-I645 HydrophobicContact CG1-CG1 4.33Å; V589-I645 HydrophobicContact CG2-CG1 3.87Å; V589-Y648 HydrophobicContact CG2-CD2 3.86Å; V589-F689 HydrophobicContact CG1-CB 4.24Å; V589-T693 HydrophobicContact CG2-CG2 3.89Å |
| 590 | T | 81.3 | Confident | 74.3 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -46.8 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | T586 N587 L588 F593 Q594 L607 L686 | T586-T590 WeakPolarHBondContact O-CB 3.35Å; T586-T590 PolarHBondContact O-N 3.09Å; T586-T590 PolarHBondContact O-OG1 2.92Å; N587-T590 WeakPolarHBondContact O-CB 3.32Å; N587-T590 PolarHBondContact O-N 3.31Å; N587-T590 VanDerWaalsContact O-N 3.1Å; L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.07Å; T590-F593 PolarHBondContact O-N 2.83Å; T590-Q594 WeakPolarHBondContact O-CG 3.23Å; T590-Q594 PolarHBondContact O-N 3.24Å; T590-L607 HydrophobicContact CG2-CD2 4.1Å; T590-L686 HydrophobicContact CG2-CD1 3.86Å; T590-L686 HydrophobicContact CG2-CD2 3.76Å; T590-L686 HydrophobicContact CG2-CG 4.42Å |
| 591 | E | 74.3 | Confident | 72.5 | Confident | 68 Ų | 68 | 41.4 Ų | 41.4 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.9 | -169.9 | 160.5 | -131.5 | 0 | 0 | 110.8 | N587 L588 Q594 L595 | N587-E591 WeakPolarHBondContact O-CB 3.47Å; N587-E591 PolarHBondContact O-N 3.44Å; L588-E591 PolarHBondContact O-N 2.84Å; E591-Q594 PolarHBondContact O-N 3.31Å; E591-L595 WeakPolarHBondContact O-CB 3.48Å; E591-L595 PolarHBondContact O-N 3.09Å |
| 592 | K | 85.7 | Confident | 70.1 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 175.7 | -165.2 | 61.2 | 166.1 | -173.2 | 0 | 112.8 | L588 L595 L596 M641 Y644 Y648 | L588-K592 VanDerWaalsContact O-CB 3.28Å; L588-K592 WeakPolarHBondContact O-CB 3.4Å; L588-K592 PolarHBondContact O-N 3.36Å; K592-L595 PolarHBondContact O-N 3.27Å; K592-L596 HydrophobicContact CG-CD1 4.24Å; K592-L596 WeakPolarHBondContact O-CB 3.45Å; K592-L596 WeakPolarHBondContact O-CG 3.35Å; K592-L596 PolarHBondContact O-N 3.22Å; K592-M641 HydrophobicContact CB-CE 4.39Å; K592-M641 HydrophobicContact CG-SD 4.34Å; K592-Y644 HydrophobicContact CD-CD2 4.41Å; K592-Y644 HydrophobicContact CD-CE2 4.5Å; K592-Y644 HydrophobicContact CD-CG 4.44Å; K592-Y644 VanDerWaalsContact CE-CE2 3.43Å; K592-Y644 HydrophobicContact CG-CD1 4.43Å; K592-Y644 HydrophobicContact CG-CD2 3.81Å; K592-Y644 HydrophobicContact CG-CE2 4.31Å; K592-Y644 HydrophobicContact CG-CG 3.88Å; K592-Y648 HydrophobicContact CB-CE2 4.03Å; K592-Y648 HydrophobicContact CG-CE2 4.39Å |
| 593 | F | 87.6 | Confident | 67.3 | Low | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 173.2 | -178.9 | -80 | 0 | 0 | 0 | 111.3 | V589 T590 L595 S597 K634 L636 M641 L686 F689 | V589-F593 VanDerWaalsContact O-CB 3.27Å; V589-F593 WeakPolarHBondContact O-CB 3.41Å; V589-F593 PolarHBondContact O-N 2.98Å; T590-F593 PolarHBondContact O-N 2.83Å; F593-L595 PolarHBondContact O-N 2.91Å; F593-S597 WeakPolarHBondContact O-CB 3.28Å; F593-S597 PolarHBondContact O-N 3.05Å; F593-S597 PolarHBondContact O-OG 3.46Å; F593-S597 VanDerWaalsContact O-OG 3.12Å; F593-K634 WeakPolarHBondContact CZ-O 3.3Å; F593-L636 HydrophobicContact CB-CD1 4.42Å; F593-L636 HydrophobicContact CD2-CB 4.32Å; F593-L636 HydrophobicContact CD2-CD1 3.63Å; F593-L636 HydrophobicContact CD2-CG 4.06Å; F593-L636 HydrophobicContact CE2-CB 3.96Å; F593-L636 HydrophobicContact CE2-CD1 3.97Å; F593-L636 HydrophobicContact CE2-CG 3.85Å; F593-L636 HydrophobicContact CG-CD1 4.01Å; F593-L636 HydrophobicContact CZ-CG 4.29Å; F593-M641 HydrophobicContact CB-CE 4.19Å; F593-M641 HydrophobicContact CB-SD 4.21Å; F593-M641 HydrophobicContact CD2-CG 4.43Å; F593-L686 HydrophobicContact CB-CD1 4.04Å; F593-L686 HydrophobicContact CD1-CB 3.93Å; F593-L686 HydrophobicContact CD1-CD1 4.1Å; F593-L686 HydrophobicContact CD1-CG 4.48Å; F593-L686 HydrophobicContact CE1-CB 3.82Å; F593-L686 HydrophobicContact CG-CB 4.36Å; F593-L686 HydrophobicContact CG-CD1 4.01Å; F593-L686 HydrophobicContact CZ-CB 4.14Å; F593-F689 AromaticContact CD2-CD2 3.56Å; F593-F689 HydrophobicContact CD2-CD2 3.56Å; F593-F689 AromaticContact CD2-CE2 3.9Å; F593-F689 HydrophobicContact CD2-CE2 3.9Å; F593-F689 AromaticContact CE2-CD2 3.56Å; F593-F689 HydrophobicContact CE2-CD2 3.56Å; F593-F689 AromaticContact CE2-CE2 3.69Å; F593-F689 HydrophobicContact CE2-CE2 3.69Å |
| 594 | Q | 78 | Confident | 65 | Low | 33 Ų | 33 | 55.2 Ų | 55.2 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -49.6 | 176 | -75 | -172.5 | -6.8 | 0 | 0 | 111.1 | T590 E591 L596 S597 N598 V606 | T590-Q594 WeakPolarHBondContact O-CG 3.23Å; T590-Q594 PolarHBondContact O-N 3.24Å; E591-Q594 PolarHBondContact O-N 3.31Å; Q594-L596 PolarHBondContact O-N 3.23Å; Q594-S597 PolarHBondContact O-N 3.27Å; Q594-S597 PolarHBondContact O-OG 2.73Å; Q594-N598 WeakPolarHBondContact O-CB 3.44Å; Q594-N598 PolarHBondContact O-N 2.99Å; Q594-V606 PolarHBondContact NE2-O 3Å |
| 595 | L | 74.9 | Confident | 62.6 | Low | 98 Ų | 98 | 55.6 Ų | 55.6 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | -177.1 | -159.6 | 165 | 0 | 0 | 0 | 112.2 | E591 K592 F593 G599 | E591-L595 WeakPolarHBondContact O-CB 3.48Å; E591-L595 PolarHBondContact O-N 3.09Å; K592-L595 PolarHBondContact O-N 3.27Å; F593-L595 PolarHBondContact O-N 2.91Å; L595-G599 PolarHBondContact O-N 2.85Å |
| 596 | L | 80.4 | Confident | 60 | Low | 61 Ų | 61 | 59.5 Ų | 59.5 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.7 | -70.6 | 170.2 | 0 | 0 | 0 | 111.9 | K592 Q594 N598 L636 M641 Y644 | K592-L596 HydrophobicContact CG-CD1 4.24Å; K592-L596 WeakPolarHBondContact O-CB 3.45Å; K592-L596 WeakPolarHBondContact O-CG 3.35Å; K592-L596 PolarHBondContact O-N 3.22Å; Q594-L596 PolarHBondContact O-N 3.23Å; L596-N598 VanDerWaalsContact C-N 3.26Å; L596-N598 PolarHBondContact O-N 3.47Å; L596-L636 HydrophobicContact CB-CD1 3.59Å; L596-L636 HydrophobicContact CB-CD2 4.26Å; L596-L636 HydrophobicContact CD1-CD1 4.11Å; L596-M641 HydrophobicContact CD1-SD 3.77Å; L596-Y644 HydrophobicContact CD1-CD2 4.22Å; L596-Y644 HydrophobicContact CD1-CE2 3.97Å |
| 597 | S | 77.2 | Confident | 57.3 | Low | 27 Ų | 27 | 64 Ų | 64 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.3 | -11.3 | -177.6 | 79.3 | 0 | 0 | 0 | 0 | 115.1 | F593 Q594 K634 | F593-S597 WeakPolarHBondContact O-CB 3.28Å; F593-S597 PolarHBondContact O-N 3.05Å; F593-S597 PolarHBondContact O-OG 3.46Å; F593-S597 VanDerWaalsContact O-OG 3.12Å; Q594-S597 PolarHBondContact O-N 3.27Å; Q594-S597 PolarHBondContact O-OG 2.73Å; S597-K634 PolarHBondContact O-NZ 3.49Å |
| 598 | N | 57.8 | Low | 55.1 | Low | 64 Ų | 64 | 66.5 Ų | 66.5 | 34% | 0.342 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -104.4 | -16.9 | -178.7 | -76.3 | -12.9 | 0 | 0 | 0 | 114.3 | Q594 L596 K634 | Q594-N598 WeakPolarHBondContact O-CB 3.44Å; Q594-N598 PolarHBondContact O-N 2.99Å; L596-N598 VanDerWaalsContact C-N 3.26Å; L596-N598 PolarHBondContact O-N 3.47Å; N598-K634 PolarHBondContact OD1-NZ 2.85Å |
| 599 | G | 42.1 | Very low | 52.4 | Low | 48 Ų | 48 | 70.6 Ų | 70.6 | 50% | 0.495 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 77.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L595 T601 | L595-G599 PolarHBondContact O-N 2.85Å; G599-T601 PolarHBondContact O-N 3.29Å; G599-T601 PolarHBondContact O-OG1 2.9Å |
| 600 | A | 30.7 | Very low | 49.6 | Very low | 102 Ų | 102 | 75 Ų | 75 | 84% | 0.843 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 56.6 | 0.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 601 | T | 28.5 | Very low | 47.1 | Very low | 104 Ų | 104 | 81.1 Ų | 81.1 | 64% | 0.638 | 48% | 0.476 | S | S | * | . | trans | -99.1 | 109.8 | 171.2 | 26.2 | 0 | 0 | 0 | 0 | 109.8 | G599 K603 | G599-T601 PolarHBondContact O-N 3.29Å; G599-T601 PolarHBondContact O-OG1 2.9Å; T601-K603 PolarHBondContact O-N 2.99Å | ||
| 602 | I | 30.5 | Very low | 44.7 | Very low | 92 Ų | 92 | 84.1 Ų | 84.1 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | trans | -73.6 | 78.7 | 176.4 | -54.5 | 177.4 | 0 | 0 | 0 | 108.7 | ||||
| 603 | K | 26.7 | Very low | 41.9 | Very low | 148 Ų | 148 | 88.3 Ų | 88.3 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | trans | -138.6 | 126.2 | 164.3 | -65.8 | -163 | 175.1 | -164.3 | 0 | 108.7 | T601 | T601-K603 PolarHBondContact O-N 2.99Š| ||
| 604 | H | 27.6 | Very low | 39 | Very low | 138 Ų | 138 | 95.1 Ų | 95.1 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | trans | 67.3 | 70.2 | 178.7 | -43 | -71.4 | 0 | 0 | 0 | 116 | V606 | H604-V606 VanDerWaalsContact C-N 3.33Å; H604-V606 HydrophobicContact CB-CG2 4.39Å; H604-V606 PolarHBondContact O-N 3.3Å | ||
| 605 | A | 26 | Very low | 36.4 | Very low | 38 Ų | 38 | 101.2 Ų | 101.2 | 31% | 0.314 | 58% | 0.582 | S | S | . | * | trans | -84.8 | 80.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | I516 | I516-A605 VanDerWaalsContact CG2-O 3.24Å; I516-A605 WeakPolarHBondContact CG2-O 3.22Å | ||
| 606 | V | 28.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 103.9 Ų | 103.9 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | trans | -116 | 122.9 | 179 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | I516 Q594 H604 | I516-V606 HydrophobicContact CG2-CG2 3.55Å; Q594-V606 PolarHBondContact NE2-O 3Å; H604-V606 VanDerWaalsContact C-N 3.33Å; H604-V606 HydrophobicContact CB-CG2 4.39Å; H604-V606 PolarHBondContact O-N 3.3Å | ||
| 607 | L | 27.3 | Very low | 31.2 | Very low | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | trans | -139.7 | 141.8 | 156.5 | -145 | 83.2 | 0 | 0 | 0 | 107.3 | T590 | T590-L607 HydrophobicContact CG2-CD2 4.1Š| ||
| 608 | P | 27 | Very low | 28.7 | Very low | 107 Ų | 107 | 110.1 Ų | 110.1 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | trans | -66.7 | 140.3 | -177.5 | -20.5 | 33.5 | 0 | 0 | 0 | 112.2 | ||||
| 609 | S | 23.6 | Very low | 27 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -68.2 | 162.5 | 149 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 610 | T | 26.8 | Very low | 26.2 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 56% | 0.564 | 68% | 0.675 | S | S | * | * | trans | 71 | 92.9 | -175.6 | 67.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 611 | V | 27.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 83% | 0.83 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -111.5 | 38.1 | 151.1 | -165.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 612 | E | 25.6 | Very low | 25.7 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -114.3 | -16.1 | 176.3 | -70.4 | -173.1 | 134.6 | 0 | 0 | 112.6 | R1040 | E612-R1040 IonicContact OE1-NH2 2.73Å; E612-R1040 PolarHBondContact OE1-NH2 3.34Å; E612-R1040 IonicContact OE2-NH2 3.68Å |
| 613 | D | 25.5 | Very low | 25.4 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -94 | 1.9 | -174.7 | -71.4 | -49.8 | 0 | 0 | 0 | 115.7 | ||
| 614 | I | 26.2 | Very low | 25.2 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 77% | 0.774 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -103 | -8.2 | -176.8 | -67.5 | 178.5 | 0 | 0 | 0 | 112.8 | ||
| 615 | L | 25 | Very low | 25 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -106 | 22.2 | -168 | -112.9 | 166.6 | 0 | 0 | 0 | 116 | ||
| 616 | E | 22.6 | Very low | 25 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -142.9 | 46.9 | 173.1 | -135.9 | -166.4 | -151.7 | 0 | 0 | 116.5 | K1189 | E616-K1189 IonicContact OE1-NZ 2.68Å; E616-K1189 PolarHBondContact OE1-NZ 3.1Å; E616-K1189 IonicContact OE2-NZ 3.17Å; E616-K1189 PolarHBondContact OE2-NZ 3.02Å |
| 617 | S | 23.3 | Very low | 24.7 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -148.9 | 157.6 | 160.2 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 618 | S | 24.8 | Very low | 24.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 55 | 96.9 | -178.3 | 53.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 619 | S | 21.9 | Very low | 24.5 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 157.2 | 143.9 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 620 | S | 24.5 | Very low | 24.7 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 60.9 | 102.7 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 621 | I | 25.6 | Very low | 24.8 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -155.2 | 154.8 | 131.4 | -103.8 | 158.1 | 0 | 0 | 0 | 107.8 | ||||
| 622 | E | 22.9 | Very low | 25.3 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 177.5 | -172.8 | -62.5 | 169.3 | 125.2 | 0 | 0 | 113.1 | A624 | E622-A624 PolarHBondContact O-N 3.37Š| ||
| 623 | H | 24.6 | Very low | 26.6 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -40.7 | 124.3 | 179.9 | -63.4 | -96.4 | 0 | 0 | 0 | 115 | ||||
| 624 | A | 23.1 | Very low | 28.9 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -140.1 | 135.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E622 | E622-A624 PolarHBondContact O-N 3.37Š| ||
| 625 | E | 23.2 | Very low | 31.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -80.6 | 132.4 | -173.8 | -62.8 | 167.6 | 127.8 | 0 | 0 | 111.6 | N627 | E625-N627 PolarHBondContact O-N 2.96Š| ||
| 626 | L | 25.3 | Very low | 34.3 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | trans | -76.9 | 89.3 | 174.2 | -169.6 | 75.5 | 0 | 0 | 0 | 110.1 | N628 | L626-N628 PolarHBondContact O-N 2.99Å; L626-N628 VanDerWaalsContact O-N 3.16Å | ||
| 627 | N | 22.5 | Very low | 37.2 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | trans | -63.6 | 112.5 | 172.4 | -89.9 | -70.8 | 0 | 0 | 0 | 110.8 | E625 S629 | E625-N627 PolarHBondContact O-N 2.96Å; N627-S629 PolarHBondContact O-N 2.96Å | ||
| 628 | N | 25.4 | Very low | 40 | Very low | 142 Ų | 142 | 116.3 Ų | 116.3 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | -68.3 | 97.7 | 175.3 | -79 | -47.8 | 0 | 0 | 0 | 111.1 | L626 I630 | L626-N628 PolarHBondContact O-N 2.99Å; L626-N628 VanDerWaalsContact O-N 3.16Å; N628-I630 PolarHBondContact O-N 3.41Å | ||
| 629 | S | 24.8 | Very low | 42.6 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | trans | -76.9 | 102.4 | 167.2 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | N627 A631 | N627-S629 PolarHBondContact O-N 2.96Å; S629-A631 PolarHBondContact O-N 3.36Å | ||
| 630 | I | 27.7 | Very low | 45.5 | Very low | 169 Ų | 169 | 113.2 Ų | 113.2 | 87% | 0.867 | 62% | 0.62 | S | S | * | * | trans | -13.2 | 103.9 | 168.4 | -53.3 | 171.7 | 0 | 0 | 0 | 113.9 | N628 | N628-I630 PolarHBondContact O-N 3.41Š| ||
| 631 | A | 28.1 | Very low | 48.5 | Very low | 81 Ų | 81 | 108 Ų | 108 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | trans | -132.4 | 133.9 | 159 | 0 | 0 | 0 | 0 | 0 | 106.8 | S629 Q633 | S629-A631 PolarHBondContact O-N 3.36Å; A631-Q633 PolarHBondContact O-N 3.26Å | ||
| 632 | D | 39.4 | Very low | 51.5 | Low | 155 Ų | 155 | 100.5 Ų | 100.5 | 83% | 0.829 | 54% | 0.544 | S | S | * | . | trans | -60.4 | 105.5 | -172.4 | -68.1 | -51.3 | 0 | 0 | 0 | 111.1 | K634 | D632-K634 VanDerWaalsContact C-N 3.28Å; D632-K634 PolarHBondContact O-N 2.64Å | ||
| 633 | Q | 51.6 | Low | 54.6 | Low | 145 Ų | 145 | 93.6 Ų | 93.6 | 68% | 0.678 | 52% | 0.515 | S | S | * | . | trans | -69.1 | 91.9 | 171.9 | -70.7 | -168.7 | 0.1 | 0 | 0 | 108.2 | A631 T635 T685 | A631-Q633 PolarHBondContact O-N 3.26Å; Q633-T635 PolarHBondContact O-N 2.89Å; Q633-T685 HydrophobicContact CB-CG2 4.39Å | ||
| 634 | K | 73.6 | Confident | 57.7 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | trans | -55.3 | 137.1 | 169.1 | -70.6 | -166.5 | 172.4 | -164.1 | 0 | 109.2 | F593 S597 N598 D632 | F593-K634 WeakPolarHBondContact CZ-O 3.3Å; S597-K634 PolarHBondContact O-NZ 3.49Å; N598-K634 PolarHBondContact OD1-NZ 2.85Å; D632-K634 VanDerWaalsContact C-N 3.28Å; D632-K634 PolarHBondContact O-N 2.64Å | ||
| 635 | T | 82.3 | Confident | 60.9 | Low | 43 Ų | 43 | 83.1 Ų | 83.1 | 26% | 0.264 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132 | -177.3 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | Q633 L684 T685 | Q633-T635 PolarHBondContact O-N 2.89Å; T635-L684 WeakPolarHBondContact CA-O 3.47Å; T635-L684 WeakPolarHBondContact CB-O 3.31Å; T635-T685 HydrophobicContact CG2-CG2 3.86Å |
| 636 | L | 84.1 | Confident | 64.1 | Low | 11 Ų | 11 | 74.7 Ų | 74.7 | 6% | 0.058 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 156.3 | 173.9 | -65.3 | 176.8 | 0 | 0 | 0 | 110.3 | F593 L596 M641 K683 L684 F689 | F593-L636 HydrophobicContact CB-CD1 4.42Å; F593-L636 HydrophobicContact CD2-CB 4.32Å; F593-L636 HydrophobicContact CD2-CD1 3.63Å; F593-L636 HydrophobicContact CD2-CG 4.06Å; F593-L636 HydrophobicContact CE2-CB 3.96Å; F593-L636 HydrophobicContact CE2-CD1 3.97Å; F593-L636 HydrophobicContact CE2-CG 3.85Å; F593-L636 HydrophobicContact CG-CD1 4.01Å; F593-L636 HydrophobicContact CZ-CG 4.29Å; L596-L636 HydrophobicContact CB-CD1 3.59Å; L596-L636 HydrophobicContact CB-CD2 4.26Å; L596-L636 HydrophobicContact CD1-CD1 4.11Å; L636-M641 HydrophobicContact CD1-CG 4.05Å; L636-M641 HydrophobicContact CD1-SD 4.19Å; L636-K683 WeakPolarHBondContact O-CA 3.3Å; L636-L684 PolarHBondContact N-O 3.41Å; L636-L684 VanDerWaalsContact N-O 3.16Å; L636-L684 PolarHBondContact O-N 2.88Å; L636-F689 HydrophobicContact CB-CE2 4.21Å |
| 637 | S | 82.4 | Confident | 67.1 | Low | 11 Ų | 11 | 68.7 Ų | 68.7 | 8% | 0.077 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 146.5 | 168.7 | 162 | 0 | 0 | 0 | 0 | 110.9 | S639 E640 S680 | S637-S639 PolarHBondContact O-N 3.35Å; S637-S639 PolarHBondContact OG-N 2.71Å; S637-S639 PolarHBondContact OG-OG 2.92Å; S637-E640 WeakPolarHBondContact CB-OE2 3.24Å; S637-E640 PolarHBondContact N-OE2 3.39Å; S637-E640 WeakPolarHBondContact O-CB 3.42Å; S637-E640 PolarHBondContact O-N 3.37Å; S637-E640 VanDerWaalsContact O-N 3.11Å; S637-S680 WeakPolarHBondContact CB-O 3.35Å; S637-S680 PolarHBondContact OG-O 3.48Å |
| 638 | F | 81.8 | Confident | 70.3 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.053 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.5 | -38.4 | 172.9 | -168.5 | -108.7 | 0 | 0 | 0 | 113.2 | E640 M641 F642 I678 F682 L684 F689 I692 F729 V733 | F638-E640 VanDerWaalsContact C-N 3.29Å; F638-E640 PolarHBondContact O-N 3.03Å; F638-M641 PolarHBondContact O-N 3.32Å; F638-F642 HydrophobicContact CE1-CB 4.41Å; F638-F642 HydrophobicContact CE1-CG 4.36Å; F638-F642 WeakPolarHBondContact O-CB 3.41Å; F638-F642 PolarHBondContact O-N 3.47Å; F638-I678 HydrophobicContact CB-CG2 3.99Å; F638-I678 HydrophobicContact CD1-CD1 4.26Å; F638-I678 HydrophobicContact CD1-CG2 3.74Å; F638-I678 HydrophobicContact CE1-CD1 3.93Å; F638-I678 HydrophobicContact CE1-CG2 4.44Å; F638-I678 HydrophobicContact CG-CG2 3.99Å; F638-I678 HydrophobicContact CZ-CD1 4.47Å; F638-F682 PolarHBondContact N-O 3.23Å; F638-L684 HydrophobicContact CB-CD1 4.37Å; F638-L684 HydrophobicContact CD2-CD1 3.67Å; F638-L684 HydrophobicContact CE2-CD1 4.47Å; F638-L684 HydrophobicContact CG-CD1 4.48Å; F638-F689 AromaticContact CD2-CE1 3.85Å; F638-F689 HydrophobicContact CD2-CE1 3.85Å; F638-F689 HydrophobicContact CE2-CE1 4.47Å; F638-I692 HydrophobicContact CE2-CD1 4.1Å; F638-F729 HydrophobicContact CE1-CE1 4.05Å; F638-F729 HydrophobicContact CE1-CZ 4.32Å; F638-F729 HydrophobicContact CE2-CZ 4.33Å; F638-F729 AromaticContact CZ-CE1 3.57Å; F638-F729 HydrophobicContact CZ-CE1 3.57Å; F638-F729 AromaticContact CZ-CZ 3.56Å; F638-F729 HydrophobicContact CZ-CZ 3.56Å; F638-V733 HydrophobicContact CE2-CG2 4.35Å; F638-V733 HydrophobicContact CZ-CG2 3.78Å |
| 639 | S | 79.3 | Confident | 73.3 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.8 | -20.9 | -180 | 54 | 0 | 0 | 0 | 0 | 113.8 | S637 M641 | S637-S639 PolarHBondContact O-N 3.35Å; S637-S639 PolarHBondContact OG-N 2.71Å; S637-S639 PolarHBondContact OG-OG 2.92Å; S639-M641 VanDerWaalsContact C-N 3.34Å |
| 640 | E | 83.3 | Confident | 76.4 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74.6 | -24.2 | 176.7 | -66.2 | 174.8 | 124.4 | 0 | 0 | 112.6 | S637 F638 Y644 | S637-E640 WeakPolarHBondContact CB-OE2 3.24Å; S637-E640 PolarHBondContact N-OE2 3.39Å; S637-E640 WeakPolarHBondContact O-CB 3.42Å; S637-E640 PolarHBondContact O-N 3.37Å; S637-E640 VanDerWaalsContact O-N 3.11Å; F638-E640 VanDerWaalsContact C-N 3.29Å; F638-E640 PolarHBondContact O-N 3.03Å; E640-Y644 WeakPolarHBondContact O-CD2 3.29Å; E640-Y644 WeakPolarHBondContact O-CE2 3.18Å |
| 641 | M | 88.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -110.6 | -21.4 | -176.5 | -77 | -63.8 | -62.1 | 0 | 0 | 114.5 | V589 K592 F593 L596 L636 F638 S639 S643 Y644 I645 F689 | V589-M641 HydrophobicContact CB-CE 4.41Å; V589-M641 HydrophobicContact CG1-CE 3.74Å; V589-M641 WeakPolarHBondContact O-CE 3.45Å; K592-M641 HydrophobicContact CB-CE 4.39Å; K592-M641 HydrophobicContact CG-SD 4.34Å; F593-M641 HydrophobicContact CB-CE 4.19Å; F593-M641 HydrophobicContact CB-SD 4.21Å; F593-M641 HydrophobicContact CD2-CG 4.43Å; L596-M641 HydrophobicContact CD1-SD 3.77Å; L636-M641 HydrophobicContact CD1-CG 4.05Å; L636-M641 HydrophobicContact CD1-SD 4.19Å; F638-M641 PolarHBondContact O-N 3.32Å; S639-M641 VanDerWaalsContact C-N 3.34Å; M641-S643 PolarHBondContact O-N 3.04Å; M641-Y644 PolarHBondContact O-N 2.8Å; M641-I645 HydrophobicContact CB-CD1 4.22Å; M641-I645 HydrophobicContact CE-CG1 4.46Å; M641-I645 WeakPolarHBondContact O-CG1 3.38Å; M641-I645 PolarHBondContact O-N 3.21Å; M641-F689 HydrophobicContact CB-CD1 3.9Å; M641-F689 HydrophobicContact CB-CE1 3.46Å; M641-F689 VanDerWaalsContact CB-CE1 3.46Å; M641-F689 HydrophobicContact CB-CE2 4.35Å; M641-F689 HydrophobicContact CB-CZ 3.71Å; M641-F689 HydrophobicContact CG-CD1 4.35Å; M641-F689 HydrophobicContact CG-CD2 4.33Å; M641-F689 HydrophobicContact CG-CE1 4.03Å; M641-F689 HydrophobicContact CG-CE2 3.99Å; M641-F689 HydrophobicContact CG-CG 4.49Å; M641-F689 HydrophobicContact CG-CZ 3.82Å |
| 642 | F | 86.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | -172 | 174.7 | -147.6 | 0 | 0 | 0 | 113.8 | F638 Y644 I645 L646 L667 F729 | F638-F642 HydrophobicContact CE1-CB 4.41Å; F638-F642 HydrophobicContact CE1-CG 4.36Å; F638-F642 WeakPolarHBondContact O-CB 3.41Å; F638-F642 PolarHBondContact O-N 3.47Å; F642-Y644 PolarHBondContact O-N 2.91Å; F642-I645 PolarHBondContact O-N 3.04Å; F642-L646 HydrophobicContact CD2-CD1 3.97Å; F642-L646 HydrophobicContact CD2-CG 4.13Å; F642-L646 HydrophobicContact CE1-CD1 4.45Å; F642-L646 HydrophobicContact CE2-CD1 3.39Å; F642-L646 HydrophobicContact CE2-CD2 4.35Å; F642-L646 HydrophobicContact CE2-CG 3.74Å; F642-L646 HydrophobicContact CZ-CD1 3.69Å; F642-L646 HydrophobicContact CZ-CG 4.5Å; F642-L646 PolarHBondContact O-N 3.44Å; F642-L646 VanDerWaalsContact O-N 3.12Å; F642-L667 HydrophobicContact CD1-CD2 3.66Å; F642-L667 HydrophobicContact CE1-CD2 3.67Å; F642-F729 HydrophobicContact CD2-CD1 4.26Å; F642-F729 AromaticContact CD2-CE1 3.46Å; F642-F729 HydrophobicContact CD2-CE1 3.46Å; F642-F729 VanDerWaalsContact CD2-CE1 3.46Å; F642-F729 AromaticContact CD2-CE2 3.91Å; F642-F729 HydrophobicContact CD2-CE2 3.91Å; F642-F729 AromaticContact CD2-CZ 3.27Å; F642-F729 HydrophobicContact CD2-CZ 3.27Å; F642-F729 AromaticContact CE2-CD1 3.51Å; F642-F729 HydrophobicContact CE2-CD1 3.51Å; F642-F729 HydrophobicContact CE2-CD2 4.17Å; F642-F729 AromaticContact CE2-CE1 3.16Å; F642-F729 HydrophobicContact CE2-CE1 3.16Å; F642-F729 AromaticContact CE2-CE2 3.9Å; F642-F729 HydrophobicContact CE2-CE2 3.9Å; F642-F729 HydrophobicContact CE2-CG 4Å; F642-F729 AromaticContact CE2-CZ 3.4Å; F642-F729 HydrophobicContact CE2-CZ 3.4Å; F642-F729 HydrophobicContact CG-CE1 4.48Å; F642-F729 HydrophobicContact CG-CZ 4.38Å; F642-F729 HydrophobicContact CZ-CD1 4.15Å; F642-F729 AromaticContact CZ-CE1 3.99Å; F642-F729 HydrophobicContact CZ-CE1 3.99Å |
| 643 | S | 88.6 | Confident | 83.8 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.6 | 52.9 | 0 | 0 | 0 | 0 | 112.3 | M641 L646 T647 | M641-S643 PolarHBondContact O-N 3.04Å; S643-L646 WeakPolarHBondContact O-CB 3.49Å; S643-L646 PolarHBondContact O-N 3.39Å; S643-T647 PolarHBondContact O-N 2.9Å; S643-T647 PolarHBondContact O-OG1 3.42Å |
| 644 | Y | 89.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 26.9 Ų | 26.9 | 30% | 0.302 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -66.9 | -39 | 179.6 | -58.8 | -57.7 | 0 | 0 | 0 | 112.5 | K592 L596 E640 M641 F642 L646 T647 Y648 | K592-Y644 HydrophobicContact CD-CD2 4.41Å; K592-Y644 HydrophobicContact CD-CE2 4.5Å; K592-Y644 HydrophobicContact CD-CG 4.44Å; K592-Y644 VanDerWaalsContact CE-CE2 3.43Å; K592-Y644 HydrophobicContact CG-CD1 4.43Å; K592-Y644 HydrophobicContact CG-CD2 3.81Å; K592-Y644 HydrophobicContact CG-CE2 4.31Å; K592-Y644 HydrophobicContact CG-CG 3.88Å; L596-Y644 HydrophobicContact CD1-CD2 4.22Å; L596-Y644 HydrophobicContact CD1-CE2 3.97Å; E640-Y644 WeakPolarHBondContact O-CD2 3.29Å; E640-Y644 WeakPolarHBondContact O-CE2 3.18Å; M641-Y644 PolarHBondContact O-N 2.8Å; F642-Y644 PolarHBondContact O-N 2.91Å; Y644-L646 VanDerWaalsContact C-N 3.32Å; Y644-L646 PolarHBondContact O-N 3.27Å; Y644-T647 PolarHBondContact O-N 3.09Å; Y644-Y648 WeakPolarHBondContact O-CD2 3.47Å; Y644-Y648 PolarHBondContact O-N 2.83Å |
| 645 | I | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 174.6 | -65.1 | 166.7 | 0 | 0 | 0 | 110.7 | V589 M641 F642 V649 F689 F696 F729 | V589-I645 HydrophobicContact CG1-CG1 4.33Å; V589-I645 HydrophobicContact CG2-CG1 3.87Å; M641-I645 HydrophobicContact CB-CD1 4.22Å; M641-I645 HydrophobicContact CE-CG1 4.46Å; M641-I645 WeakPolarHBondContact O-CG1 3.38Å; M641-I645 PolarHBondContact O-N 3.21Å; F642-I645 PolarHBondContact O-N 3.04Å; I645-V649 WeakPolarHBondContact O-CB 3.27Å; I645-V649 VanDerWaalsContact O-CG2 3.3Å; I645-V649 WeakPolarHBondContact O-CG2 3.46Å; I645-V649 PolarHBondContact O-N 3.47Å; I645-F689 HydrophobicContact CD1-CD1 3.73Å; I645-F689 HydrophobicContact CD1-CE1 4.4Å; I645-F696 HydrophobicContact CG2-CD1 4.17Å; I645-F729 HydrophobicContact CG2-CE2 4.1Å |
| 646 | L | 90.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 173.9 | -78.7 | 172.9 | 0 | 0 | 0 | 112 | F642 S643 Y644 V649 M650 V663 C666 F696 T725 F729 | F642-L646 HydrophobicContact CD2-CD1 3.97Å; F642-L646 HydrophobicContact CD2-CG 4.13Å; F642-L646 HydrophobicContact CE1-CD1 4.45Å; F642-L646 HydrophobicContact CE2-CD1 3.39Å; F642-L646 HydrophobicContact CE2-CD2 4.35Å; F642-L646 HydrophobicContact CE2-CG 3.74Å; F642-L646 HydrophobicContact CZ-CD1 3.69Å; F642-L646 HydrophobicContact CZ-CG 4.5Å; F642-L646 PolarHBondContact O-N 3.44Å; F642-L646 VanDerWaalsContact O-N 3.12Å; S643-L646 WeakPolarHBondContact O-CB 3.49Å; S643-L646 PolarHBondContact O-N 3.39Å; Y644-L646 VanDerWaalsContact C-N 3.32Å; Y644-L646 PolarHBondContact O-N 3.27Å; L646-V649 PolarHBondContact O-N 3.19Å; L646-M650 WeakPolarHBondContact O-CB 3.46Å; L646-M650 WeakPolarHBondContact O-CG 3.34Å; L646-M650 PolarHBondContact O-N 2.85Å; L646-V663 HydrophobicContact CB-CG1 3.98Å; L646-V663 HydrophobicContact CB-CG2 3.94Å; L646-V663 HydrophobicContact CD1-CG1 4.22Å; L646-C666 HydrophobicContact CD1-CB 4.02Å; L646-F696 HydrophobicContact CD2-CE1 4.1Å; L646-F696 HydrophobicContact CD2-CZ 3.9Å; L646-T725 HydrophobicContact CD2-CG2 3.53Å; L646-F729 HydrophobicContact CD2-CD2 4.38Å |
| 647 | T | 88.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -53.8 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | S643 Y644 V649 M650 D651 V659 | S643-T647 PolarHBondContact O-N 2.9Å; S643-T647 PolarHBondContact O-OG1 3.42Å; Y644-T647 PolarHBondContact O-N 3.09Å; T647-V649 VanDerWaalsContact C-N 3.26Å; T647-V649 PolarHBondContact O-N 3.08Å; T647-M650 PolarHBondContact O-N 2.79Å; T647-M650 VanDerWaalsContact O-N 3.09Å; T647-D651 PolarHBondContact O-N 3.3Å; T647-V659 HydrophobicContact CG2-CG1 4.11Å |
| 648 | Y | 88.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -25.9 | -174.8 | -56.8 | -29.1 | 0 | 0 | 0 | 113.5 | V585 L588 V589 K592 Y644 P1010 | V585-Y648 WeakPolarHBondContact CG2-O 3.42Å; L588-Y648 HydrophobicContact CB-CD1 4.4Å; L588-Y648 HydrophobicContact CB-CD2 3.68Å; L588-Y648 HydrophobicContact CB-CE2 3.88Å; L588-Y648 HydrophobicContact CB-CG 3.96Å; L588-Y648 HydrophobicContact CD1-CD1 4.29Å; L588-Y648 HydrophobicContact CD1-CG 4.26Å; V589-Y648 HydrophobicContact CG2-CD2 3.86Å; K592-Y648 HydrophobicContact CB-CE2 4.03Å; K592-Y648 HydrophobicContact CG-CE2 4.39Å; Y644-Y648 WeakPolarHBondContact O-CD2 3.47Å; Y644-Y648 PolarHBondContact O-N 2.83Å; Y648-P1010 HydrophobicContact CE1-CG 3.72Å |
| 649 | V | 90.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -81.6 | -31.1 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | V585 I645 L646 T647 F696 A697 Y700 W701 | V585-V649 HydrophobicContact CG1-CG2 3.79Å; I645-V649 WeakPolarHBondContact O-CB 3.27Å; I645-V649 VanDerWaalsContact O-CG2 3.3Å; I645-V649 WeakPolarHBondContact O-CG2 3.46Å; I645-V649 PolarHBondContact O-N 3.47Å; L646-V649 PolarHBondContact O-N 3.19Å; T647-V649 VanDerWaalsContact C-N 3.26Å; T647-V649 PolarHBondContact O-N 3.08Å; V649-F696 HydrophobicContact CB-CD1 4.25Å; V649-F696 HydrophobicContact CB-CE1 3.71Å; V649-F696 HydrophobicContact CG1-CD1 4.1Å; V649-F696 HydrophobicContact CG1-CE1 3.58Å; V649-F696 HydrophobicContact CG1-CZ 4.02Å; V649-F696 HydrophobicContact CG2-CD1 3.9Å; V649-F696 HydrophobicContact CG2-CE1 3.87Å; V649-A697 HydrophobicContact CG1-CB 4.19Å; V649-A697 HydrophobicContact CG2-CB 3.72Å; V649-Y700 HydrophobicContact CG1-CD1 3.56Å; V649-Y700 HydrophobicContact CG1-CE1 4.28Å; V649-Y700 HydrophobicContact CG1-CG 4.2Å; V649-W701 HydrophobicContact CG1-CZ2 4.38Å; V649-W701 PolarHBondContact O-NE1 3.48Å |
| 650 | M | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.2 | -35 | 177.3 | -78.9 | -143.7 | -173.3 | 0 | 0 | 113.9 | L646 T647 E652 L653 F654 V659 L662 V663 Y700 I721 T725 | L646-M650 WeakPolarHBondContact O-CB 3.46Å; L646-M650 WeakPolarHBondContact O-CG 3.34Å; L646-M650 PolarHBondContact O-N 2.85Å; T647-M650 PolarHBondContact O-N 2.79Å; T647-M650 VanDerWaalsContact O-N 3.09Å; M650-E652 PolarHBondContact O-N 3.04Å; M650-E652 VanDerWaalsContact O-N 3.09Å; M650-L653 PolarHBondContact O-N 2.94Å; M650-F654 HydrophobicContact CB-CD2 4.08Å; M650-F654 HydrophobicContact CG-CD2 4.24Å; M650-F654 HydrophobicContact CG-CE2 4.25Å; M650-F654 WeakPolarHBondContact O-CD2 3.43Å; M650-F654 PolarHBondContact O-N 2.95Å; M650-F654 HydrophobicContact SD-CD2 4.03Å; M650-F654 HydrophobicContact SD-CE2 4.01Å; M650-V659 HydrophobicContact CB-CB 4.34Å; M650-V659 HydrophobicContact CB-CG1 3.57Å; M650-V659 HydrophobicContact CB-CG2 3.85Å; M650-L662 HydrophobicContact CE-CB 4.07Å; M650-L662 HydrophobicContact SD-CB 3.63Å; M650-L662 HydrophobicContact SD-CD1 3.77Å; M650-L662 HydrophobicContact SD-CG 4.3Å; M650-V663 HydrophobicContact SD-CG2 4.48Å; M650-Y700 HydrophobicContact CG-CE1 4.35Å; M650-I721 HydrophobicContact CE-CG2 4.09Å; M650-T725 HydrophobicContact CE-CG2 3.46Å; M650-T725 VanDerWaalsContact CE-CG2 3.46Å; M650-T725 VanDerWaalsContact CE-OG1 3.24Å; M650-T725 WeakPolarHBondContact CE-OG1 3.42Å |
| 651 | D | 84.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 29.7 Ų | 29.7 | 21% | 0.214 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.2 | 179.7 | -81.9 | -14.5 | 0 | 0 | 0 | 113.8 | T647 S656 V659 | T647-D651 PolarHBondContact O-N 3.3Å; D651-S656 WeakPolarHBondContact OD1-CA 3.2Å; D651-S656 WeakPolarHBondContact OD1-CB 3.3Å; D651-V659 WeakPolarHBondContact OD1-CB 3.16Å; D651-V659 WeakPolarHBondContact OD1-CG2 3.36Å |
| 652 | E | 84.2 | Confident | 83.1 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -25.9 | 169.1 | -51.9 | -56.5 | 116.3 | 0 | 0 | 112.9 | T569 I572 N581 K584 V585 M650 W701 | T569-E652 PolarHBondContact OG1-O 2.99Å; I572-E652 HydrophobicContact CD1-CB 3.6Å; I572-E652 HydrophobicContact CG1-CB 4.04Å; I572-E652 WeakPolarHBondContact CG1-O 3.39Å; N581-E652 PolarHBondContact ND2-OE2 2.92Å; K584-E652 WeakPolarHBondContact CE-OE1 3.18Å; K584-E652 IonicContact NZ-OE1 2.88Å; K584-E652 PolarHBondContact NZ-OE1 3.43Å; K584-E652 IonicContact NZ-OE2 3.72Å; K584-E652 PolarHBondContact NZ-OE2 3.31Å; V585-E652 HydrophobicContact CG2-CG 4.1Å; M650-E652 PolarHBondContact O-N 3.04Å; M650-E652 VanDerWaalsContact O-N 3.09Å; E652-W701 HydrophobicContact CB-CZ2 4.12Å; E652-W701 HydrophobicContact CG-CH2 4.3Å; E652-W701 HydrophobicContact CG-CZ2 3.55Å |
| 653 | L | 81.2 | Confident | 83 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -21.7 | -172.3 | -92.4 | -178.7 | 0 | 0 | 0 | 115.1 | L568 T569 I572 M650 Y700 F704 I709 | L568-L653 CarbonylContact C-O 3.58Å; L568-L653 VanDerWaalsContact CA-O 3.28Å; L568-L653 WeakPolarHBondContact CA-O 3.43Å; L568-L653 HydrophobicContact CD2-CB 4.48Å; L568-L653 HydrophobicContact CD2-CD2 4.14Å; T569-L653 PolarHBondContact N-O 3.29Å; T569-L653 WeakPolarHBondContact OG1-CA 3.4Å; T569-L653 PolarHBondContact OG1-O 2.84Å; T569-L653 VanDerWaalsContact OG1-O 3.11Å; I572-L653 HydrophobicContact CD1-CD2 3.69Å; I572-L653 HydrophobicContact CD1-CG 3.62Å; I572-L653 HydrophobicContact CG1-CD2 4.46Å; M650-L653 PolarHBondContact O-N 2.94Å; L653-Y700 HydrophobicContact CD1-CD1 3.8Å; L653-Y700 HydrophobicContact CD1-CE1 3.55Å; L653-F704 HydrophobicContact CD1-CB 3.59Å; L653-F704 HydrophobicContact CD1-CD2 4.01Å; L653-F704 HydrophobicContact CD1-CG 3.81Å; L653-F704 HydrophobicContact CD2-CB 4.16Å; L653-I709 HydrophobicContact CD2-CD1 3.81Å |
| 654 | F | 81.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -134.2 | 160.6 | -174.7 | -53 | -73.7 | 0 | 0 | 0 | 111 | I566 L568 T569 M650 S656 V659 L662 Y700 F704 I721 | I566-F654 HydrophobicContact CG2-CD1 3.6Å; I566-F654 HydrophobicContact CG2-CE1 4.13Å; I566-F654 HydrophobicContact CG2-CG 4.37Å; L568-F654 HydrophobicContact CD2-CD1 3.91Å; L568-F654 HydrophobicContact CD2-CE1 3.31Å; L568-F654 HydrophobicContact CD2-CZ 3.87Å; L568-F654 HydrophobicContact CG-CD1 4.47Å; L568-F654 HydrophobicContact CG-CE1 4.06Å; T569-F654 PolarHBondContact OG1-N 3.34Å; M650-F654 HydrophobicContact CB-CD2 4.08Å; M650-F654 HydrophobicContact CG-CD2 4.24Å; M650-F654 HydrophobicContact CG-CE2 4.25Å; M650-F654 WeakPolarHBondContact O-CD2 3.43Å; M650-F654 PolarHBondContact O-N 2.95Å; M650-F654 HydrophobicContact SD-CD2 4.03Å; M650-F654 HydrophobicContact SD-CE2 4.01Å; F654-S656 PolarHBondContact O-N 2.79Å; F654-V659 HydrophobicContact CB-CG2 3.87Å; F654-L662 HydrophobicContact CD2-CD1 4.12Å; F654-L662 HydrophobicContact CE2-CD1 4.42Å; F654-L662 HydrophobicContact CG-CD1 4.23Å; F654-Y700 HydrophobicContact CE2-CE1 4.35Å; F654-Y700 WeakPolarHBondContact CE2-OH 2.88Å; F654-F704 HydrophobicContact CZ-CE1 4.22Å; F654-F704 HydrophobicContact CZ-CZ 4.21Å; F654-I721 HydrophobicContact CD1-CD1 4.31Å; F654-I721 HydrophobicContact CE1-CD1 3.52Å; F654-I721 HydrophobicContact CE1-CG1 3.96Å; F654-I721 HydrophobicContact CE1-CG2 4.26Å; F654-I721 HydrophobicContact CE2-CG2 3.82Å; F654-I721 HydrophobicContact CZ-CB 4.35Å; F654-I721 HydrophobicContact CZ-CD1 3.9Å; F654-I721 HydrophobicContact CZ-CG1 3.87Å; F654-I721 HydrophobicContact CZ-CG2 3.5Å; F654-I721 VanDerWaalsContact CZ-CG2 3.5Å |
| 655 | E | 64.1 | Low | 82.5 | Confident | 67 Ų | 67 | 27.1 Ų | 27.1 | 31% | 0.313 | 16% | 0.155 | S | C | . | . | trans | -63.6 | 127.4 | 167.9 | -58.1 | -158 | 142.3 | 0 | 0 | 110.4 | K29 T569 N657 I658 V659 | K29-E655 IonicContact NZ-OE1 2.79Å; K29-E655 PolarHBondContact NZ-OE1 3.23Å; T569-E655 HydrophobicContact CG2-CG 4.48Å; E655-N657 VanDerWaalsContact C-OD1 3.26Å; E655-N657 WeakPolarHBondContact CB-OD1 3.27Å; E655-N657 PolarHBondContact O-N 2.87Å; E655-N657 PolarHBondContact O-OD1 3.03Å; E655-N657 VanDerWaalsContact O-OD1 3.1Å; E655-I658 HydrophobicContact CB-CD1 4.5Å; E655-I658 PolarHBondContact O-N 2.93Å; E655-V659 PolarHBondContact O-N 3.11Å | ||
| 656 | S | 64.5 | Low | 82.2 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 1.4 | -169 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | D651 F654 P660 R1009 | D651-S656 WeakPolarHBondContact OD1-CA 3.2Å; D651-S656 WeakPolarHBondContact OD1-CB 3.3Å; F654-S656 PolarHBondContact O-N 2.79Å; S656-P660 WeakPolarHBondContact O-CD 3.42Å; S656-R1009 PolarHBondContact O-NH1 2.85Å; S656-R1009 PolarHBondContact OG-NH1 3.1Å |
| 657 | N | 71.5 | Confident | 81.8 | Confident | 104 Ų | 104 | 29.9 Ų | 29.9 | 56% | 0.556 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -29.2 | 167.7 | 54.9 | -9.3 | 0 | 0 | 0 | 111.8 | E655 | E655-N657 VanDerWaalsContact C-OD1 3.26Å; E655-N657 WeakPolarHBondContact CB-OD1 3.27Å; E655-N657 PolarHBondContact O-N 2.87Å; E655-N657 PolarHBondContact O-OD1 3.03Å; E655-N657 VanDerWaalsContact O-OD1 3.1Å |
| 658 | I | 77.7 | Confident | 81.3 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -29.4 | 179.7 | -59.7 | 165.3 | 0 | 0 | 0 | 111 | I566 E655 D661 L662 | I566-I658 HydrophobicContact CD1-CG2 3.52Å; I566-I658 HydrophobicContact CG1-CG2 3.84Å; I566-I658 HydrophobicContact CG2-CD1 4.07Å; I566-I658 HydrophobicContact CG2-CG2 3.89Å; E655-I658 HydrophobicContact CB-CD1 4.5Å; E655-I658 PolarHBondContact O-N 2.93Å; I658-D661 PolarHBondContact O-N 3.3Å; I658-D661 VanDerWaalsContact O-N 3.17Å; I658-L662 HydrophobicContact CG2-CD1 3.95Å; I658-L662 HydrophobicContact CG2-CG 4.18Å; I658-L662 PolarHBondContact O-N 3.28Å; I658-L662 VanDerWaalsContact O-N 3.14Å |
| 659 | V | 83.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.1 | -45.9 | -176.9 | 173.7 | 0 | 0 | 0 | 0 | 114.4 | T647 M650 D651 F654 E655 D661 L662 V663 | T647-V659 HydrophobicContact CG2-CG1 4.11Å; M650-V659 HydrophobicContact CB-CB 4.34Å; M650-V659 HydrophobicContact CB-CG1 3.57Å; M650-V659 HydrophobicContact CB-CG2 3.85Å; D651-V659 WeakPolarHBondContact OD1-CB 3.16Å; D651-V659 WeakPolarHBondContact OD1-CG2 3.36Å; F654-V659 HydrophobicContact CB-CG2 3.87Å; E655-V659 PolarHBondContact O-N 3.11Å; V659-D661 PolarHBondContact O-N 3.02Å; V659-D661 VanDerWaalsContact O-N 3.16Å; V659-L662 WeakPolarHBondContact O-CB 3.38Å; V659-L662 PolarHBondContact O-N 3.09Å; V659-L662 VanDerWaalsContact O-N 3.14Å; V659-V663 HydrophobicContact CG1-CG2 3.94Å; V659-V663 WeakPolarHBondContact O-CG2 3.37Å; V659-V663 PolarHBondContact O-N 2.93Å |
| 660 | P | 81.2 | Confident | 80.1 | Confident | 76 Ų | 76 | 37.5 Ų | 37.5 | 49% | 0.494 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.6 | -36.3 | 179.5 | -26.2 | 35.3 | 0 | 0 | 0 | 113.2 | S656 V663 S664 | S656-P660 WeakPolarHBondContact O-CD 3.42Å; P660-V663 PolarHBondContact O-N 3.48Å; P660-S664 VanDerWaalsContact O-CB 3.27Å; P660-S664 WeakPolarHBondContact O-CB 3.24Å; P660-S664 PolarHBondContact O-N 2.99Å |
| 661 | D | 81.8 | Confident | 79.1 | Confident | 88 Ų | 88 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -80.6 | -29.9 | -177 | -151.2 | 35.5 | 0 | 0 | 0 | 111.9 | I658 V659 G665 K718 | I658-D661 PolarHBondContact O-N 3.3Å; I658-D661 VanDerWaalsContact O-N 3.17Å; V659-D661 PolarHBondContact O-N 3.02Å; V659-D661 VanDerWaalsContact O-N 3.16Å; D661-G665 PolarHBondContact O-N 3.05Å; D661-G665 VanDerWaalsContact O-N 3.14Å; D661-K718 IonicContact OD2-NZ 2.66Å; D661-K718 PolarHBondContact OD2-NZ 2.94Å |
| 662 | L | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 166.4 | -77.4 | 168.1 | 0 | 0 | 0 | 112.3 | I566 M650 F654 I658 V659 G665 C666 K718 I721 M722 | I566-L662 HydrophobicContact CD1-CD1 4.18Å; I566-L662 HydrophobicContact CD1-CD2 3.88Å; I566-L662 HydrophobicContact CD1-CG 4.14Å; I566-L662 HydrophobicContact CG2-CD1 4.49Å; M650-L662 HydrophobicContact CE-CB 4.07Å; M650-L662 HydrophobicContact SD-CB 3.63Å; M650-L662 HydrophobicContact SD-CD1 3.77Å; M650-L662 HydrophobicContact SD-CG 4.3Å; F654-L662 HydrophobicContact CD2-CD1 4.12Å; F654-L662 HydrophobicContact CE2-CD1 4.42Å; F654-L662 HydrophobicContact CG-CD1 4.23Å; I658-L662 HydrophobicContact CG2-CD1 3.95Å; I658-L662 HydrophobicContact CG2-CG 4.18Å; I658-L662 PolarHBondContact O-N 3.28Å; I658-L662 VanDerWaalsContact O-N 3.14Å; V659-L662 WeakPolarHBondContact O-CB 3.38Å; V659-L662 PolarHBondContact O-N 3.09Å; V659-L662 VanDerWaalsContact O-N 3.14Å; L662-G665 PolarHBondContact O-N 3.07Å; L662-C666 PolarHBondContact O-N 2.75Å; L662-C666 PolarHBondContact O-SG 3.09Å; L662-K718 HydrophobicContact CD2-CG 3.76Å; L662-I721 HydrophobicContact CD1-CG2 4.04Å; L662-I721 HydrophobicContact CD2-CB 3.94Å; L662-I721 HydrophobicContact CD2-CD1 4.35Å; L662-I721 HydrophobicContact CD2-CG2 3.7Å; L662-I721 HydrophobicContact CG-CG2 4.47Å; L662-M722 HydrophobicContact CD2-CG 3.95Å |
| 663 | V | 86.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 180 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L646 M650 V659 P660 G665 C666 L667 | L646-V663 HydrophobicContact CB-CG1 3.98Å; L646-V663 HydrophobicContact CB-CG2 3.94Å; L646-V663 HydrophobicContact CD1-CG1 4.22Å; M650-V663 HydrophobicContact SD-CG2 4.48Å; V659-V663 HydrophobicContact CG1-CG2 3.94Å; V659-V663 WeakPolarHBondContact O-CG2 3.37Å; V659-V663 PolarHBondContact O-N 2.93Å; P660-V663 PolarHBondContact O-N 3.48Å; V663-G665 VanDerWaalsContact C-N 3.29Å; V663-G665 PolarHBondContact O-N 3.39Å; V663-C666 PolarHBondContact O-N 2.99Å; V663-C666 VanDerWaalsContact O-N 3.13Å; V663-L667 HydrophobicContact CG1-CD1 4.08Å; V663-L667 WeakPolarHBondContact O-CG 3.37Å; V663-L667 PolarHBondContact O-N 3.35Å |
| 664 | S | 84.4 | Confident | 75.5 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.9 | -44.4 | 169.6 | 178.7 | 0 | 0 | 0 | 0 | 112 | P660 L667 K668 | P660-S664 VanDerWaalsContact O-CB 3.27Å; P660-S664 WeakPolarHBondContact O-CB 3.24Å; P660-S664 PolarHBondContact O-N 2.99Å; S664-L667 PolarHBondContact O-N 2.84Å; S664-K668 PolarHBondContact O-N 3.14Å; S664-K668 VanDerWaalsContact O-N 3.17Å |
| 665 | G | 81.3 | Confident | 73.6 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D661 L662 V663 K668 M669 M722 | D661-G665 PolarHBondContact O-N 3.05Å; D661-G665 VanDerWaalsContact O-N 3.14Å; L662-G665 PolarHBondContact O-N 3.07Å; V663-G665 VanDerWaalsContact C-N 3.29Å; V663-G665 PolarHBondContact O-N 3.39Å; G665-K668 PolarHBondContact O-N 2.67Å; G665-M669 WeakPolarHBondContact O-CG 3.43Å; G665-M669 PolarHBondContact O-N 3.28Å; G665-M669 VanDerWaalsContact O-N 3.08Å; G665-M722 VanDerWaalsContact CA-CE 3.49Å |
| 666 | C | 85.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 177.9 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | L646 L662 V663 M669 S670 | L646-C666 HydrophobicContact CD1-CB 4.02Å; L662-C666 PolarHBondContact O-N 2.75Å; L662-C666 PolarHBondContact O-SG 3.09Å; V663-C666 PolarHBondContact O-N 2.99Å; V663-C666 VanDerWaalsContact O-N 3.13Å; C666-M669 PolarHBondContact O-N 2.99Å; C666-S670 WeakPolarHBondContact O-CB 3.4Å; C666-S670 PolarHBondContact O-N 2.83Å |
| 667 | L | 81.4 | Confident | 71.3 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -52.8 | 175.7 | -73.7 | 162.6 | 0 | 0 | 0 | 111 | F642 V663 S664 M669 S670 E671 | F642-L667 HydrophobicContact CD1-CD2 3.66Å; F642-L667 HydrophobicContact CE1-CD2 3.67Å; V663-L667 HydrophobicContact CG1-CD1 4.08Å; V663-L667 WeakPolarHBondContact O-CG 3.37Å; V663-L667 PolarHBondContact O-N 3.35Å; S664-L667 PolarHBondContact O-N 2.84Å; L667-M669 PolarHBondContact O-N 2.84Å; L667-S670 WeakPolarHBondContact O-CB 3.42Å; L667-S670 PolarHBondContact O-N 3.03Å; L667-S670 PolarHBondContact O-OG 3.3Å; L667-E671 PolarHBondContact O-N 2.88Å |
| 668 | K | 79.3 | Confident | 70.1 | Confident | 143 Ų | 143 | 67.9 Ų | 67.9 | 62% | 0.622 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.4 | -26.8 | 176.1 | -75 | -178.7 | 175.5 | 176.9 | 0 | 114.3 | S664 G665 | S664-K668 PolarHBondContact O-N 3.14Å; S664-K668 VanDerWaalsContact O-N 3.17Å; G665-K668 PolarHBondContact O-N 2.67Å |
| 669 | M | 78.4 | Confident | 68.5 | Low | 52 Ų | 52 | 67.5 Ų | 67.5 | 26% | 0.256 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.4 | -29.5 | 172.5 | -74.5 | -176.9 | 54.2 | 0 | 0 | 112.9 | G665 C666 L667 K672 M722 R723 L726 | G665-M669 WeakPolarHBondContact O-CG 3.43Å; G665-M669 PolarHBondContact O-N 3.28Å; G665-M669 VanDerWaalsContact O-N 3.08Å; C666-M669 PolarHBondContact O-N 2.99Å; L667-M669 PolarHBondContact O-N 2.84Å; M669-K672 PolarHBondContact O-N 3.05Å; M669-M722 HydrophobicContact CG-CE 4.19Å; M669-M722 HydrophobicContact SD-CB 3.88Å; M669-M722 HydrophobicContact SD-CE 3.52Å; M669-M722 VanDerWaalsContact SD-CE 3.52Å; M669-R723 HydrophobicContact CE-CG 3.82Å; M669-L726 HydrophobicContact CB-CD2 3.6Å; M669-L726 HydrophobicContact CE-CD2 4.32Å |
| 670 | S | 74.6 | Confident | 67 | Low | 12 Ų | 12 | 71.9 Ų | 71.9 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.8 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | C666 L667 K672 R673 F674 | C666-S670 WeakPolarHBondContact O-CB 3.4Å; C666-S670 PolarHBondContact O-N 2.83Å; L667-S670 WeakPolarHBondContact O-CB 3.42Å; L667-S670 PolarHBondContact O-N 3.03Å; L667-S670 PolarHBondContact O-OG 3.3Å; S670-K672 PolarHBondContact O-N 2.82Å; S670-K672 VanDerWaalsContact O-N 3.07Å; S670-R673 PolarHBondContact O-N 2.86Å; S670-F674 PolarHBondContact O-N 2.92Å; S670-F674 VanDerWaalsContact O-N 3.1Å |
| 671 | E | 67.9 | Low | 65.6 | Low | 157 Ų | 157 | 72.5 Ų | 72.5 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.6 | 176.2 | -66 | 173.8 | 152 | 0 | 0 | 113.3 | L667 | L667-E671 PolarHBondContact O-N 2.88Š|
| 672 | K | 62.6 | Low | 64.9 | Low | 185 Ų | 185 | 72.7 Ų | 72.7 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -5 | 177.9 | -67.6 | -167.3 | 174.4 | -169.6 | 0 | 114.8 | M669 S670 | M669-K672 PolarHBondContact O-N 3.05Å; S670-K672 PolarHBondContact O-N 2.82Å; S670-K672 VanDerWaalsContact O-N 3.07Å |
| 673 | R | 57.5 | Low | 64.6 | Low | 85 Ų | 85 | 79.2 Ų | 79.2 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -25.4 | -174.9 | -94.6 | -175.6 | 166.6 | -177 | -4 | 114.8 | S670 S675 D820 | S670-R673 PolarHBondContact O-N 2.86Å; R673-S675 PolarHBondContact O-N 2.89Å; R673-D820 IonicContact CZ-OD1 2.69Å; R673-D820 IonicContact NE-OD1 2.97Å; R673-D820 PolarHBondContact NE-OD1 3.15Å; R673-D820 IonicContact NH2-OD1 2.61Å; R673-D820 PolarHBondContact NH2-OD1 3.31Å |
| 674 | F | 53.7 | Low | 64.5 | Low | 59 Ų | 59 | 79.3 Ų | 79.3 | 26% | 0.259 | 42% | 0.422 | S | S | . | . | trans | -79.6 | 69.4 | 173.3 | -76.8 | -73.3 | 0 | 0 | 0 | 111.9 | S670 I676 I678 C730 | S670-F674 PolarHBondContact O-N 2.92Å; S670-F674 VanDerWaalsContact O-N 3.1Å; F674-I676 PolarHBondContact O-N 2.84Å; F674-I678 HydrophobicContact CD1-CD1 3.75Å; F674-I678 HydrophobicContact CD1-CG1 4.23Å; F674-I678 HydrophobicContact CE1-CD1 3.45Å; F674-I678 VanDerWaalsContact CE1-CD1 3.45Å; F674-I678 HydrophobicContact CE1-CG1 4.36Å; F674-I678 HydrophobicContact CZ-CD1 4.05Å; F674-C730 HydrophobicContact CZ-CB 4.33Å; F674-C730 WeakPolarHBondContact CZ-SG 3.37Å | ||
| 675 | S | 42.3 | Very low | 64.8 | Low | 112 Ų | 112 | 78 Ų | 78 | 78% | 0.783 | 41% | 0.412 | S | S | * | . | trans | -77.4 | -1 | 172.7 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | R673 | R673-S675 PolarHBondContact O-N 2.89Š| ||
| 676 | I | 39.6 | Very low | 65.1 | Low | 133 Ų | 133 | 79.4 Ų | 79.4 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -106.7 | 128 | 166.9 | -60 | 172.3 | 0 | 0 | 0 | 106.2 | F674 I678 | F674-I676 PolarHBondContact O-N 2.84Å; I676-I678 PolarHBondContact O-N 2.68Å |
| 677 | P | 40.5 | Very low | 65.1 | Low | 108 Ų | 108 | 84 Ų | 84 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | trans | -71.7 | 95.2 | -176.6 | 29.1 | -34.8 | 0 | 0 | 0 | 111.2 | A679 | P677-A679 PolarHBondContact O-N 3.22Š| ||
| 678 | I | 46.5 | Very low | 65.4 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 21% | 0.21 | 44% | 0.435 | C | S | . | . | trans | -64.5 | 82 | 136.9 | -52.2 | 176.4 | 0 | 0 | 0 | 105.2 | F638 F674 I676 S680 V733 | F638-I678 HydrophobicContact CB-CG2 3.99Å; F638-I678 HydrophobicContact CD1-CD1 4.26Å; F638-I678 HydrophobicContact CD1-CG2 3.74Å; F638-I678 HydrophobicContact CE1-CD1 3.93Å; F638-I678 HydrophobicContact CE1-CG2 4.44Å; F638-I678 HydrophobicContact CG-CG2 3.99Å; F638-I678 HydrophobicContact CZ-CD1 4.47Å; F674-I678 HydrophobicContact CD1-CD1 3.75Å; F674-I678 HydrophobicContact CD1-CG1 4.23Å; F674-I678 HydrophobicContact CE1-CD1 3.45Å; F674-I678 VanDerWaalsContact CE1-CD1 3.45Å; F674-I678 HydrophobicContact CE1-CG1 4.36Å; F674-I678 HydrophobicContact CZ-CD1 4.05Å; I676-I678 PolarHBondContact O-N 2.68Å; I678-S680 PolarHBondContact O-N 3.37Å; I678-V733 HydrophobicContact CD1-CG1 3.87Å | ||
| 679 | A | 45 | Very low | 66 | Low | 37 Ų | 37 | 76 Ų | 76 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | trans | -54.1 | 135.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P677 S681 F682 | P677-A679 PolarHBondContact O-N 3.22Å; A679-S681 PolarHBondContact O-N 3.23Å; A679-F682 WeakPolarHBondContact O-CB 3.46Å; A679-F682 PolarHBondContact O-N 2.81Å | ||
| 680 | S | 50.6 | Low | 66.4 | Low | 92 Ų | 92 | 75.1 Ų | 75.1 | 64% | 0.643 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -6.4 | -178 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | S637 I678 | S637-S680 WeakPolarHBondContact CB-O 3.35Å; S637-S680 PolarHBondContact OG-O 3.48Å; I678-S680 PolarHBondContact O-N 3.37Å |
| 681 | S | 51.4 | Low | 67 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 62% | 0.622 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.6 | 169.9 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | A679 K683 | A679-S681 PolarHBondContact O-N 3.23Å; S681-K683 PolarHBondContact O-N 3.01Å |
| 682 | F | 67.4 | Low | 68 | Low | 92 Ų | 92 | 70.1 Ų | 70.1 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | trans | -67.7 | 106.1 | -175.7 | -124.9 | -81 | 0 | 0 | 0 | 110.6 | F638 A679 L684 | F638-F682 PolarHBondContact N-O 3.23Å; A679-F682 WeakPolarHBondContact O-CB 3.46Å; A679-F682 PolarHBondContact O-N 2.81Å; F682-L684 HydrophobicContact CD1-CD2 4.47Å | ||
| 683 | K | 80.4 | Confident | 69.4 | Low | 138 Ų | 138 | 61.3 Ų | 61.3 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.4 | -173.1 | -87.7 | -171.3 | 176.3 | -162 | 0 | 111 | L636 S681 | L636-K683 WeakPolarHBondContact O-CA 3.3Å; S681-K683 PolarHBondContact O-N 3.01Å |
| 684 | L | 85.2 | Confident | 71 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.9 | -173.6 | -62.2 | 179 | 0 | 0 | 0 | 111.4 | T635 L636 F638 F682 N688 F689 I692 W736 | T635-L684 WeakPolarHBondContact CA-O 3.47Å; T635-L684 WeakPolarHBondContact CB-O 3.31Å; L636-L684 PolarHBondContact N-O 3.41Å; L636-L684 VanDerWaalsContact N-O 3.16Å; L636-L684 PolarHBondContact O-N 2.88Å; F638-L684 HydrophobicContact CB-CD1 4.37Å; F638-L684 HydrophobicContact CD2-CD1 3.67Å; F638-L684 HydrophobicContact CE2-CD1 4.47Å; F638-L684 HydrophobicContact CG-CD1 4.48Å; F682-L684 HydrophobicContact CD1-CD2 4.47Å; L684-N688 HydrophobicContact CB-CB 4.08Å; L684-N688 HydrophobicContact CD2-CB 4.34Å; L684-F689 HydrophobicContact CB-CD2 4.05Å; L684-F689 HydrophobicContact CB-CE1 4.48Å; L684-F689 HydrophobicContact CB-CE2 3.57Å; L684-F689 HydrophobicContact CB-CZ 3.83Å; L684-F689 HydrophobicContact CD1-CD1 4.47Å; L684-F689 HydrophobicContact CD1-CE1 3.96Å; L684-F689 HydrophobicContact CD1-CE2 4.49Å; L684-F689 HydrophobicContact CD1-CZ 3.99Å; L684-F689 HydrophobicContact CG-CZ 4.4Å; L684-I692 HydrophobicContact CD1-CD1 4.16Å; L684-W736 HydrophobicContact CD2-CH2 3.41Å; L684-W736 VanDerWaalsContact CD2-CH2 3.41Å; L684-W736 HydrophobicContact CD2-CZ2 3.9Å; L684-W736 HydrophobicContact CD2-CZ3 4.32Å |
| 685 | T | 89.1 | Confident | 72.7 | Confident | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.153 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 162.5 | 174.5 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | Q633 T635 N687 N688 F689 | Q633-T685 HydrophobicContact CB-CG2 4.39Å; T635-T685 HydrophobicContact CG2-CG2 3.86Å; T685-N687 PolarHBondContact O-N 3.16Å; T685-N688 WeakPolarHBondContact O-CB 3.49Å; T685-N688 PolarHBondContact O-N 2.99Å; T685-N688 VanDerWaalsContact O-N 3.09Å; T685-N688 VanDerWaalsContact OG1-CG 3.22Å; T685-N688 PolarHBondContact OG1-N 3.11Å; T685-N688 PolarHBondContact OG1-OD1 3.15Å; T685-F689 WeakPolarHBondContact O-CD2 3.2Å; T685-F689 PolarHBondContact O-N 3.34Å |
| 686 | L | 88.3 | Confident | 75.1 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50 | -45.5 | 171.4 | 173.4 | 59.5 | 0 | 0 | 0 | 112.4 | T590 F593 N688 F689 I690 | T590-L686 HydrophobicContact CG2-CD1 3.86Å; T590-L686 HydrophobicContact CG2-CD2 3.76Å; T590-L686 HydrophobicContact CG2-CG 4.42Å; F593-L686 HydrophobicContact CB-CD1 4.04Å; F593-L686 HydrophobicContact CD1-CB 3.93Å; F593-L686 HydrophobicContact CD1-CD1 4.1Å; F593-L686 HydrophobicContact CD1-CG 4.48Å; F593-L686 HydrophobicContact CE1-CB 3.82Å; F593-L686 HydrophobicContact CG-CB 4.36Å; F593-L686 HydrophobicContact CG-CD1 4.01Å; F593-L686 HydrophobicContact CZ-CB 4.14Å; L686-N688 VanDerWaalsContact C-N 3.27Å; L686-N688 PolarHBondContact O-N 2.66Å; L686-F689 PolarHBondContact O-N 2.95Å; L686-I690 HydrophobicContact CD1-CD1 3.89Å; L686-I690 HydrophobicContact CD1-CG1 4.07Å; L686-I690 HydrophobicContact CD2-CD1 4.48Å; L686-I690 HydrophobicContact CG-CD1 3.83Å; L686-I690 HydrophobicContact CG-CG1 4.4Å; L686-I690 WeakPolarHBondContact O-CG1 3.14Å; L686-I690 PolarHBondContact O-N 2.89Å |
| 687 | N | 85 | Confident | 77.7 | Confident | 96 Ų | 96 | 48.4 Ų | 48.4 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -31.3 | -178.3 | -166.6 | 39.1 | 0 | 0 | 0 | 112.9 | T685 Q691 | T685-N687 PolarHBondContact O-N 3.16Å; N687-Q691 PolarHBondContact O-N 3.44Å; N687-Q691 VanDerWaalsContact O-N 3.11Å |
| 688 | N | 88.5 | Confident | 80.1 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -48.1 | 175.1 | -64.1 | -6.3 | 0 | 0 | 0 | 110.6 | L684 T685 L686 I690 Q691 I692 W736 | L684-N688 HydrophobicContact CB-CB 4.08Å; L684-N688 HydrophobicContact CD2-CB 4.34Å; T685-N688 WeakPolarHBondContact O-CB 3.49Å; T685-N688 PolarHBondContact O-N 2.99Å; T685-N688 VanDerWaalsContact O-N 3.09Å; T685-N688 VanDerWaalsContact OG1-CG 3.22Å; T685-N688 PolarHBondContact OG1-N 3.11Å; T685-N688 PolarHBondContact OG1-OD1 3.15Å; L686-N688 VanDerWaalsContact C-N 3.27Å; L686-N688 PolarHBondContact O-N 2.66Å; N688-I690 VanDerWaalsContact C-N 3.34Å; N688-I690 PolarHBondContact O-N 3.04Å; N688-Q691 PolarHBondContact O-N 3.14Å; N688-I692 WeakPolarHBondContact O-CG1 3.24Å; N688-I692 PolarHBondContact O-N 2.84Å; N688-W736 HydrophobicContact CB-CZ2 3.67Å |
| 689 | F | 91.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 175.2 | -74.6 | -65.1 | 0 | 0 | 0 | 112 | V589 F593 L636 F638 M641 I645 L684 T685 L686 Q691 I692 T693 | V589-F689 HydrophobicContact CG1-CB 4.24Å; F593-F689 AromaticContact CD2-CD2 3.56Å; F593-F689 HydrophobicContact CD2-CD2 3.56Å; F593-F689 AromaticContact CD2-CE2 3.9Å; F593-F689 HydrophobicContact CD2-CE2 3.9Å; F593-F689 AromaticContact CE2-CD2 3.56Å; F593-F689 HydrophobicContact CE2-CD2 3.56Å; F593-F689 AromaticContact CE2-CE2 3.69Å; F593-F689 HydrophobicContact CE2-CE2 3.69Å; L636-F689 HydrophobicContact CB-CE2 4.21Å; F638-F689 AromaticContact CD2-CE1 3.85Å; F638-F689 HydrophobicContact CD2-CE1 3.85Å; F638-F689 HydrophobicContact CE2-CE1 4.47Å; M641-F689 HydrophobicContact CB-CD1 3.9Å; M641-F689 HydrophobicContact CB-CE1 3.46Å; M641-F689 VanDerWaalsContact CB-CE1 3.46Å; M641-F689 HydrophobicContact CB-CE2 4.35Å; M641-F689 HydrophobicContact CB-CZ 3.71Å; M641-F689 HydrophobicContact CG-CD1 4.35Å; M641-F689 HydrophobicContact CG-CD2 4.33Å; M641-F689 HydrophobicContact CG-CE1 4.03Å; M641-F689 HydrophobicContact CG-CE2 3.99Å; M641-F689 HydrophobicContact CG-CG 4.49Å; M641-F689 HydrophobicContact CG-CZ 3.82Å; I645-F689 HydrophobicContact CD1-CD1 3.73Å; I645-F689 HydrophobicContact CD1-CE1 4.4Å; L684-F689 HydrophobicContact CB-CD2 4.05Å; L684-F689 HydrophobicContact CB-CE1 4.48Å; L684-F689 HydrophobicContact CB-CE2 3.57Å; L684-F689 HydrophobicContact CB-CZ 3.83Å; L684-F689 HydrophobicContact CD1-CD1 4.47Å; L684-F689 HydrophobicContact CD1-CE1 3.96Å; L684-F689 HydrophobicContact CD1-CE2 4.49Å; L684-F689 HydrophobicContact CD1-CZ 3.99Å; L684-F689 HydrophobicContact CG-CZ 4.4Å; T685-F689 WeakPolarHBondContact O-CD2 3.2Å; T685-F689 PolarHBondContact O-N 3.34Å; L686-F689 PolarHBondContact O-N 2.95Å; F689-Q691 PolarHBondContact O-N 3.16Å; F689-I692 PolarHBondContact O-N 3.46Å; F689-T693 WeakPolarHBondContact O-CB 3.34Å; F689-T693 PolarHBondContact O-N 3.36Å; F689-T693 PolarHBondContact O-OG1 3.26Å |
| 690 | I | 88 | Confident | 84.5 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 17% | 0.169 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 174.9 | -71.2 | 174.9 | 0 | 0 | 0 | 111.6 | T586 L686 N688 T693 R694 | T586-I690 HydrophobicContact CG2-CB 4.4Å; T586-I690 HydrophobicContact CG2-CD1 4.17Å; T586-I690 HydrophobicContact CG2-CG1 3.94Å; T586-I690 HydrophobicContact CG2-CG2 3.77Å; L686-I690 HydrophobicContact CD1-CD1 3.89Å; L686-I690 HydrophobicContact CD1-CG1 4.07Å; L686-I690 HydrophobicContact CD2-CD1 4.48Å; L686-I690 HydrophobicContact CG-CD1 3.83Å; L686-I690 HydrophobicContact CG-CG1 4.4Å; L686-I690 WeakPolarHBondContact O-CG1 3.14Å; L686-I690 PolarHBondContact O-N 2.89Å; N688-I690 VanDerWaalsContact C-N 3.34Å; N688-I690 PolarHBondContact O-N 3.04Å; I690-T693 PolarHBondContact O-N 2.89Å; I690-R694 HydrophobicContact CG2-CG 4.44Å; I690-R694 WeakPolarHBondContact O-CB 3.39Å; I690-R694 WeakPolarHBondContact O-CG 3.34Å; I690-R694 PolarHBondContact O-N 3.3Å |
| 691 | Q | 85.6 | Confident | 86.4 | Confident | 63 Ų | 63 | 40.5 Ų | 40.5 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 177.5 | -79.9 | -162.1 | 56.5 | 0 | 0 | 113 | N687 N688 F689 T693 R694 N695 | N687-Q691 PolarHBondContact O-N 3.44Å; N687-Q691 VanDerWaalsContact O-N 3.11Å; N688-Q691 PolarHBondContact O-N 3.14Å; F689-Q691 PolarHBondContact O-N 3.16Å; Q691-T693 VanDerWaalsContact C-N 3.35Å; Q691-R694 PolarHBondContact O-N 2.82Å; Q691-N695 WeakPolarHBondContact O-CB 3.47Å; Q691-N695 VanDerWaalsContact O-CG 3.29Å; Q691-N695 PolarHBondContact O-N 2.96Å |
| 692 | I | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.5 | -65.6 | 167.8 | 0 | 0 | 0 | 110 | F638 L684 N688 F689 F696 F729 V733 W736 | F638-I692 HydrophobicContact CE2-CD1 4.1Å; L684-I692 HydrophobicContact CD1-CD1 4.16Å; N688-I692 WeakPolarHBondContact O-CG1 3.24Å; N688-I692 PolarHBondContact O-N 2.84Å; F689-I692 PolarHBondContact O-N 3.46Å; I692-F696 VanDerWaalsContact O-CB 3.29Å; I692-F696 WeakPolarHBondContact O-CB 3.25Å; I692-F696 PolarHBondContact O-N 3.04Å; I692-F729 HydrophobicContact CG2-CE2 4.49Å; I692-F729 HydrophobicContact CG2-CZ 4.45Å; I692-V733 HydrophobicContact CG2-CG2 4Å; I692-W736 HydrophobicContact CD1-CD2 3.78Å; I692-W736 HydrophobicContact CD1-CE3 4.01Å; I692-W736 HydrophobicContact CD1-CG 4.12Å; I692-W736 HydrophobicContact CG1-CB 3.98Å; I692-W736 HydrophobicContact CG1-CD2 3.83Å; I692-W736 HydrophobicContact CG1-CE3 4.42Å; I692-W736 HydrophobicContact CG1-CG 3.59Å |
| 693 | T | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -50.5 | 176.2 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | V585 V589 F689 I690 Q691 N695 F696 A697 | V585-T693 HydrophobicContact CG1-CG2 3.62Å; V589-T693 HydrophobicContact CG2-CG2 3.89Å; F689-T693 WeakPolarHBondContact O-CB 3.34Å; F689-T693 PolarHBondContact O-N 3.36Å; F689-T693 PolarHBondContact O-OG1 3.26Å; I690-T693 PolarHBondContact O-N 2.89Å; Q691-T693 VanDerWaalsContact C-N 3.35Å; T693-N695 PolarHBondContact O-N 3.44Å; T693-F696 PolarHBondContact O-N 3.42Å; T693-A697 WeakPolarHBondContact O-CB 3.44Å; T693-A697 PolarHBondContact O-N 3.15Å |
| 694 | R | 91.4 | Very high | 89.7 | Confident | 67 Ų | 67 | 29.9 Ų | 29.9 | 25% | 0.253 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | -177.6 | -71 | -176.5 | 71.4 | 108.2 | -5.7 | 112.1 | E579 L582 N583 T586 I690 Q691 Y698 | E579-R694 IonicContact OE1-CZ 3.28Å; E579-R694 IonicContact OE1-NH1 2.67Å; E579-R694 PolarHBondContact OE1-NH1 3.3Å; E579-R694 IonicContact OE1-NH2 2.95Å; E579-R694 PolarHBondContact OE1-NH2 2.8Å; E579-R694 IonicContact OE2-CZ 2.68Å; E579-R694 IonicContact OE2-NH2 3.02Å; E579-R694 PolarHBondContact OE2-NH2 3.46Å; L582-R694 HydrophobicContact CD1-CB 4.5Å; L582-R694 HydrophobicContact CD2-CB 4.27Å; L582-R694 HydrophobicContact CD2-CG 4.22Å; L582-R694 HydrophobicContact CG-CB 4.4Å; L582-R694 HydrophobicContact CG-CG 4.07Å; N583-R694 PolarHBondContact OD1-NH1 3.36Å; T586-R694 WeakPolarHBondContact OG1-CG 3.07Å; I690-R694 HydrophobicContact CG2-CG 4.44Å; I690-R694 WeakPolarHBondContact O-CB 3.39Å; I690-R694 WeakPolarHBondContact O-CG 3.34Å; I690-R694 PolarHBondContact O-N 3.3Å; Q691-R694 PolarHBondContact O-N 2.82Å; R694-Y698 WeakPolarHBondContact O-CB 3.42Å; R694-Y698 PolarHBondContact O-N 3.19Å |
| 695 | N | 88.8 | Confident | 89.7 | Confident | 50 Ų | 50 | 30.5 Ų | 30.5 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 175.2 | -71.9 | -12.2 | 0 | 0 | 0 | 111.8 | Q691 T693 A699 | Q691-N695 WeakPolarHBondContact O-CB 3.47Å; Q691-N695 VanDerWaalsContact O-CG 3.29Å; Q691-N695 PolarHBondContact O-N 2.96Å; T693-N695 PolarHBondContact O-N 3.44Å; N695-A699 WeakPolarHBondContact O-CB 3.37Å; N695-A699 PolarHBondContact O-N 2.89Å |
| 696 | F | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -50.7 | -178.6 | 167.2 | -122.8 | 0 | 0 | 0 | 112.3 | I645 L646 V649 I692 T693 Y698 A699 Y700 T725 F729 S732 | I645-F696 HydrophobicContact CG2-CD1 4.17Å; L646-F696 HydrophobicContact CD2-CE1 4.1Å; L646-F696 HydrophobicContact CD2-CZ 3.9Å; V649-F696 HydrophobicContact CB-CD1 4.25Å; V649-F696 HydrophobicContact CB-CE1 3.71Å; V649-F696 HydrophobicContact CG1-CD1 4.1Å; V649-F696 HydrophobicContact CG1-CE1 3.58Å; V649-F696 HydrophobicContact CG1-CZ 4.02Å; V649-F696 HydrophobicContact CG2-CD1 3.9Å; V649-F696 HydrophobicContact CG2-CE1 3.87Å; I692-F696 VanDerWaalsContact O-CB 3.29Å; I692-F696 WeakPolarHBondContact O-CB 3.25Å; I692-F696 PolarHBondContact O-N 3.04Å; T693-F696 PolarHBondContact O-N 3.42Å; F696-Y698 PolarHBondContact O-N 2.83Å; F696-A699 PolarHBondContact O-N 3.28Å; F696-Y700 HydrophobicContact CE2-CD2 4.05Å; F696-Y700 HydrophobicContact CE2-CG 4.06Å; F696-Y700 HydrophobicContact CZ-CD2 4.36Å; F696-Y700 HydrophobicContact CZ-CG 4.19Å; F696-Y700 WeakPolarHBondContact O-CB 3.42Å; F696-Y700 PolarHBondContact O-N 2.89Å; F696-T725 HydrophobicContact CE2-CG2 4.24Å; F696-T725 HydrophobicContact CZ-CG2 3.79Å; F696-F729 HydrophobicContact CB-CD2 4.31Å; F696-F729 AromaticContact CD1-CD2 3.64Å; F696-F729 HydrophobicContact CD1-CD2 3.64Å; F696-F729 HydrophobicContact CD1-CE2 4.16Å; F696-F729 HydrophobicContact CD2-CB 3.84Å; F696-F729 AromaticContact CD2-CD2 3.87Å; F696-F729 HydrophobicContact CD2-CD2 3.87Å; F696-F729 HydrophobicContact CD2-CG 4.35Å; F696-F729 AromaticContact CE1-CD2 3.84Å; F696-F729 HydrophobicContact CE1-CD2 3.84Å; F696-F729 HydrophobicContact CE2-CB 3.76Å; F696-F729 HydrophobicContact CE2-CD2 4.08Å; F696-F729 HydrophobicContact CE2-CG 4.45Å; F696-F729 HydrophobicContact CG-CB 4.48Å; F696-F729 AromaticContact CG-CD2 3.65Å; F696-F729 HydrophobicContact CG-CD2 3.65Å; F696-F729 HydrophobicContact CG-CE2 4.4Å; F696-F729 HydrophobicContact CZ-CB 4.33Å; F696-F729 HydrophobicContact CZ-CD2 4.07Å; F696-S732 VanDerWaalsContact CA-OG 3.3Å; F696-S732 WeakPolarHBondContact CA-OG 3.4Å |
| 697 | A | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L582 V649 T693 A699 Y700 W701 | L582-A697 HydrophobicContact CD1-CB 3.64Å; V649-A697 HydrophobicContact CG1-CB 4.19Å; V649-A697 HydrophobicContact CG2-CB 3.72Å; T693-A697 WeakPolarHBondContact O-CB 3.44Å; T693-A697 PolarHBondContact O-N 3.15Å; A697-A699 PolarHBondContact O-N 2.88Å; A697-Y700 PolarHBondContact O-N 3.38Å; A697-W701 HydrophobicContact CB-CD2 4.37Å; A697-W701 HydrophobicContact CB-CE3 4.2Å; A697-W701 HydrophobicContact CB-CH2 3.78Å; A697-W701 HydrophobicContact CB-CZ2 3.95Å; A697-W701 HydrophobicContact CB-CZ3 3.91Å; A697-W701 WeakPolarHBondContact O-CB 3.38Å; A697-W701 VanDerWaalsContact O-CD2 3.29Å; A697-W701 VanDerWaalsContact O-CG 3.24Å; A697-W701 PolarHBondContact O-N 2.99Å |
| 698 | Y | 91 | Very high | 89 | Confident | 81 Ų | 81 | 29.7 Ų | 29.7 | 32% | 0.318 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.6 | -174.5 | -94 | 0 | 0 | 0 | 111.9 | N577 F578 R694 F696 Y700 L702 | N577-Y698 HydrophobicContact CB-CE2 4.16Å; N577-Y698 VanDerWaalsContact O-CE2 3.32Å; N577-Y698 WeakPolarHBondContact O-CE2 3.34Å; N577-Y698 PolarHBondContact OD1-OH 2.91Å; F578-Y698 AromaticContact CD2-CD2 3.86Å; F578-Y698 HydrophobicContact CD2-CD2 3.86Å; F578-Y698 AromaticContact CD2-CE2 3.89Å; F578-Y698 HydrophobicContact CD2-CE2 3.89Å; F578-Y698 HydrophobicContact CE2-CE2 4.34Å; R694-Y698 WeakPolarHBondContact O-CB 3.42Å; R694-Y698 PolarHBondContact O-N 3.19Å; F696-Y698 PolarHBondContact O-N 2.83Å; Y698-Y700 VanDerWaalsContact C-N 3.31Å; Y698-Y700 PolarHBondContact O-N 3.16Å; Y698-L702 HydrophobicContact CE1-CD2 3.87Å; Y698-L702 WeakPolarHBondContact O-CB 3.47Å; Y698-L702 PolarHBondContact O-N 2.85Å |
| 699 | A | 89.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 25% | 0.248 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N695 F696 A697 S703 | N695-A699 WeakPolarHBondContact O-CB 3.37Å; N695-A699 PolarHBondContact O-N 2.89Å; F696-A699 PolarHBondContact O-N 3.28Å; A697-A699 PolarHBondContact O-N 2.88Å; A699-S703 VanDerWaalsContact O-CB 3.24Å; A699-S703 WeakPolarHBondContact O-CB 3.24Å; A699-S703 PolarHBondContact O-N 3.33Å; A699-S703 VanDerWaalsContact O-N 3.09Å |
| 700 | Y | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.9 | -50.7 | -179.3 | -171.9 | -113 | 0 | 0 | 0 | 112.4 | V649 M650 L653 F654 F696 A697 Y698 S703 F704 T725 L728 | V649-Y700 HydrophobicContact CG1-CD1 3.56Å; V649-Y700 HydrophobicContact CG1-CE1 4.28Å; V649-Y700 HydrophobicContact CG1-CG 4.2Å; M650-Y700 HydrophobicContact CG-CE1 4.35Å; L653-Y700 HydrophobicContact CD1-CD1 3.8Å; L653-Y700 HydrophobicContact CD1-CE1 3.55Å; F654-Y700 HydrophobicContact CE2-CE1 4.35Å; F654-Y700 WeakPolarHBondContact CE2-OH 2.88Å; F696-Y700 HydrophobicContact CE2-CD2 4.05Å; F696-Y700 HydrophobicContact CE2-CG 4.06Å; F696-Y700 HydrophobicContact CZ-CD2 4.36Å; F696-Y700 HydrophobicContact CZ-CG 4.19Å; F696-Y700 WeakPolarHBondContact O-CB 3.42Å; F696-Y700 PolarHBondContact O-N 2.89Å; A697-Y700 PolarHBondContact O-N 3.38Å; Y698-Y700 VanDerWaalsContact C-N 3.31Å; Y698-Y700 PolarHBondContact O-N 3.16Å; Y700-S703 WeakPolarHBondContact O-CB 3.47Å; Y700-S703 PolarHBondContact O-N 3.22Å; Y700-F704 HydrophobicContact CD2-CD2 4.28Å; Y700-F704 HydrophobicContact CD2-CE2 4.46Å; Y700-F704 HydrophobicContact CE1-CD2 4.38Å; Y700-F704 AromaticContact CE2-CD2 3.8Å; Y700-F704 HydrophobicContact CE2-CD2 3.8Å; Y700-F704 AromaticContact CE2-CE2 3.63Å; Y700-F704 HydrophobicContact CE2-CE2 3.63Å; Y700-F704 AromaticContact CZ-CD2 3.88Å; Y700-F704 AromaticContact CZ-CE2 3.76Å; Y700-F704 PolarHBondContact O-N 2.99Å; Y700-T725 HydrophobicContact CD2-CG2 4.46Å; Y700-T725 VanDerWaalsContact CE2-CA 3.48Å; Y700-T725 HydrophobicContact CE2-CG2 3.87Å; Y700-T725 WeakPolarHBondContact CE2-OG1 3.35Å; Y700-T725 VanDerWaalsContact CZ-OG1 3.31Å; Y700-T725 PolarHBondContact OH-OG1 2.91Å; Y700-L728 HydrophobicContact CD2-CD1 4.15Å |
| 701 | W | 92.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 177.3 | -59 | -30.3 | 0 | 0 | 0 | 111.4 | I572 F578 N581 L582 V585 V649 E652 A697 S703 F704 F705 | I572-W701 HydrophobicContact CD1-CB 4.29Å; I572-W701 HydrophobicContact CD1-CD2 4.15Å; I572-W701 HydrophobicContact CD1-CG 3.75Å; F578-W701 HydrophobicContact CB-CE3 3.72Å; F578-W701 HydrophobicContact CB-CZ3 4.13Å; F578-W701 HydrophobicContact CD2-CB 4.27Å; F578-W701 HydrophobicContact CE2-CB 4.32Å; F578-W701 HydrophobicContact CG-CB 4.44Å; F578-W701 HydrophobicContact CG-CE3 4.21Å; N581-W701 HydrophobicContact CB-CE3 4.28Å; N581-W701 HydrophobicContact CB-CH2 3.63Å; N581-W701 HydrophobicContact CB-CZ2 4.32Å; N581-W701 HydrophobicContact CB-CZ3 3.6Å; L582-W701 HydrophobicContact CB-CZ3 4.11Å; L582-W701 HydrophobicContact CD1-CE3 4.36Å; L582-W701 HydrophobicContact CD1-CH2 4.28Å; L582-W701 HydrophobicContact CD1-CZ3 3.64Å; V585-W701 HydrophobicContact CB-CH2 4.3Å; V585-W701 HydrophobicContact CG2-CH2 3.74Å; V585-W701 HydrophobicContact CG2-CZ2 3.77Å; V649-W701 HydrophobicContact CG1-CZ2 4.38Å; V649-W701 PolarHBondContact O-NE1 3.48Å; E652-W701 HydrophobicContact CB-CZ2 4.12Å; E652-W701 HydrophobicContact CG-CH2 4.3Å; E652-W701 HydrophobicContact CG-CZ2 3.55Å; A697-W701 HydrophobicContact CB-CD2 4.37Å; A697-W701 HydrophobicContact CB-CE3 4.2Å; A697-W701 HydrophobicContact CB-CH2 3.78Å; A697-W701 HydrophobicContact CB-CZ2 3.95Å; A697-W701 HydrophobicContact CB-CZ3 3.91Å; A697-W701 WeakPolarHBondContact O-CB 3.38Å; A697-W701 VanDerWaalsContact O-CD2 3.29Å; A697-W701 VanDerWaalsContact O-CG 3.24Å; A697-W701 PolarHBondContact O-N 2.99Å; W701-S703 VanDerWaalsContact C-N 3.26Å; W701-S703 PolarHBondContact O-N 2.83Å; W701-F704 PolarHBondContact O-N 3.33Å; W701-F705 WeakPolarHBondContact O-CB 3.31Å; W701-F705 PolarHBondContact O-N 2.92Å |
| 702 | L | 89.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 40.5 Ų | 40.5 | 31% | 0.314 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -36.7 | 176.4 | -170.9 | 67.7 | 0 | 0 | 0 | 112.1 | F578 Y698 N706 | F578-L702 HydrophobicContact CE2-CB 3.93Å; F578-L702 HydrophobicContact CE2-CD1 3.95Å; F578-L702 HydrophobicContact CZ-CD1 4.26Å; Y698-L702 HydrophobicContact CE1-CD2 3.87Å; Y698-L702 WeakPolarHBondContact O-CB 3.47Å; Y698-L702 PolarHBondContact O-N 2.85Å; L702-N706 VanDerWaalsContact CD1-ND2 3.35Å; L702-N706 WeakPolarHBondContact CD1-ND2 3.29Å; L702-N706 WeakPolarHBondContact O-CB 3.14Å; L702-N706 PolarHBondContact O-N 2.93Å; L702-N706 PolarHBondContact O-ND2 3.1Å |
| 703 | S | 90 | Very high | 84.4 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -57.4 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | A699 Y700 W701 F705 N706 T707 | A699-S703 VanDerWaalsContact O-CB 3.24Å; A699-S703 WeakPolarHBondContact O-CB 3.24Å; A699-S703 PolarHBondContact O-N 3.33Å; A699-S703 VanDerWaalsContact O-N 3.09Å; Y700-S703 WeakPolarHBondContact O-CB 3.47Å; Y700-S703 PolarHBondContact O-N 3.22Å; W701-S703 VanDerWaalsContact C-N 3.26Å; W701-S703 PolarHBondContact O-N 2.83Å; S703-F705 VanDerWaalsContact C-N 3.34Å; S703-F705 PolarHBondContact O-N 3.48Å; S703-N706 PolarHBondContact O-N 3.35Å; S703-T707 PolarHBondContact O-N 3.1Å; S703-T707 PolarHBondContact O-OG1 3.47Å |
| 704 | F | 88.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | -178 | -98.3 | -81.7 | 0 | 0 | 0 | 113.3 | L568 L653 F654 Y700 W701 H708 I709 A716 I721 T724 | L568-F704 HydrophobicContact CD1-CD1 4.23Å; L568-F704 HydrophobicContact CD2-CD1 3.64Å; L568-F704 HydrophobicContact CD2-CE1 4.08Å; L568-F704 HydrophobicContact CD2-CG 4.47Å; L653-F704 HydrophobicContact CD1-CB 3.59Å; L653-F704 HydrophobicContact CD1-CD2 4.01Å; L653-F704 HydrophobicContact CD1-CG 3.81Å; L653-F704 HydrophobicContact CD2-CB 4.16Å; F654-F704 HydrophobicContact CZ-CE1 4.22Å; F654-F704 HydrophobicContact CZ-CZ 4.21Å; Y700-F704 HydrophobicContact CD2-CD2 4.28Å; Y700-F704 HydrophobicContact CD2-CE2 4.46Å; Y700-F704 HydrophobicContact CE1-CD2 4.38Å; Y700-F704 AromaticContact CE2-CD2 3.8Å; Y700-F704 HydrophobicContact CE2-CD2 3.8Å; Y700-F704 AromaticContact CE2-CE2 3.63Å; Y700-F704 HydrophobicContact CE2-CE2 3.63Å; Y700-F704 AromaticContact CZ-CD2 3.88Å; Y700-F704 AromaticContact CZ-CE2 3.76Å; Y700-F704 PolarHBondContact O-N 2.99Å; W701-F704 PolarHBondContact O-N 3.33Å; F704-H708 HydrophobicContact CD1-CB 4.49Å; F704-H708 AromaticContact CD1-CD2 3.55Å; F704-H708 AromaticContact CE1-CD2 3.62Å; F704-H708 AromaticContact CE1-NE2 3.88Å; F704-H708 WeakPolarHBondContact O-CB 3.4Å; F704-H708 PolarHBondContact O-N 3.08Å; F704-I709 PolarHBondContact O-N 3.05Å; F704-A716 HydrophobicContact CE1-CB 4.07Å; F704-I721 HydrophobicContact CE1-CG1 4.17Å; F704-I721 HydrophobicContact CZ-CB 4.27Å; F704-I721 HydrophobicContact CZ-CG1 3.81Å; F704-I721 HydrophobicContact CZ-CG2 4.37Å; F704-T724 HydrophobicContact CE2-CG2 3.97Å |
| 705 | F | 84.7 | Confident | 82.5 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 175.7 | -172.5 | -93.1 | 0 | 0 | 0 | 110.8 | D574 F578 W701 S703 I709 R710 | D574-F705 HydrophobicContact CB-CD1 4.24Å; D574-F705 HydrophobicContact CB-CE1 3.8Å; D574-F705 HydrophobicContact CB-CE2 4.3Å; D574-F705 HydrophobicContact CB-CZ 3.83Å; D574-F705 VanDerWaalsContact CG-CZ 3.42Å; D574-F705 WeakPolarHBondContact OD1-CZ 3.16Å; D574-F705 WeakPolarHBondContact OD2-CE1 3.23Å; F578-F705 HydrophobicContact CE1-CD2 4.4Å; F578-F705 HydrophobicContact CE1-CG 4.48Å; F578-F705 HydrophobicContact CZ-CB 4.23Å; F578-F705 HydrophobicContact CZ-CG 4.31Å; W701-F705 WeakPolarHBondContact O-CB 3.31Å; W701-F705 PolarHBondContact O-N 2.92Å; S703-F705 VanDerWaalsContact C-N 3.34Å; S703-F705 PolarHBondContact O-N 3.48Å; F705-I709 HydrophobicContact CD2-CB 4.12Å; F705-I709 HydrophobicContact CD2-CD1 4.34Å; F705-I709 HydrophobicContact CD2-CG2 4.08Å; F705-I709 HydrophobicContact CE2-CG2 4.15Å; F705-I709 PolarHBondContact O-N 3.25Å; F705-R710 HydrophobicContact CD1-CB 4.16Å; F705-R710 HydrophobicContact CE1-CB 4.08Å; F705-R710 HydrophobicContact CE1-CG 4.47Å; F705-R710 WeakPolarHBondContact O-CB 3.37Å; F705-R710 PolarHBondContact O-N 2.96Å |
| 706 | N | 84.5 | Confident | 82 | Confident | 52 Ų | 52 | 48 Ų | 48 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -78.4 | -27.9 | -177.1 | -72.6 | -69.2 | 0 | 0 | 0 | 114.7 | L702 S703 R710 K711 | L702-N706 VanDerWaalsContact CD1-ND2 3.35Å; L702-N706 WeakPolarHBondContact CD1-ND2 3.29Å; L702-N706 WeakPolarHBondContact O-CB 3.14Å; L702-N706 PolarHBondContact O-N 2.93Å; L702-N706 PolarHBondContact O-ND2 3.1Å; S703-N706 PolarHBondContact O-N 3.35Å; N706-R710 VanDerWaalsContact OD1-CD 3.3Å; N706-R710 WeakPolarHBondContact OD1-CD 3.49Å; N706-R710 PolarHBondContact OD1-NH1 2.9Å; N706-K711 WeakPolarHBondContact O-CE 3.5Å |
| 707 | T | 82.4 | Confident | 81.5 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -84.3 | -34.7 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | S703 | S703-T707 PolarHBondContact O-N 3.1Å; S703-T707 PolarHBondContact O-OG1 3.47Å |
| 708 | H | 80.9 | Confident | 81 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -69.9 | -172.7 | -72.3 | -86.2 | 0 | 0 | 0 | 112.9 | L568 F704 R710 K711 G712 K713 S715 A716 | L568-H708 HydrophobicContact CD1-CB 3.44Å; L568-H708 VanDerWaalsContact CD1-CB 3.44Å; F704-H708 HydrophobicContact CD1-CB 4.49Å; F704-H708 AromaticContact CD1-CD2 3.55Å; F704-H708 AromaticContact CE1-CD2 3.62Å; F704-H708 AromaticContact CE1-NE2 3.88Å; F704-H708 WeakPolarHBondContact O-CB 3.4Å; F704-H708 PolarHBondContact O-N 3.08Å; H708-R710 PolarHBondContact O-N 3.45Å; H708-K711 CarbonylContact O-C 3.57Å; H708-K711 PolarHBondContact O-N 3.25Å; H708-K711 VanDerWaalsContact O-N 3.09Å; H708-G712 PolarHBondContact O-N 3.07Å; H708-K713 CarbonylContact C-O 3.54Å; H708-K713 VanDerWaalsContact CB-O 3.29Å; H708-K713 WeakPolarHBondContact CB-O 3.18Å; H708-K713 PolarHBondContact O-N 2.74Å; H708-S715 PolarHBondContact ND1-O 2.66Å; H708-S715 VanDerWaalsContact ND1-O 3.15Å; H708-A716 VanDerWaalsContact CE1-CB 3.47Å; H708-A716 WeakPolarHBondContact CE1-CB 2.91Å |
| 709 | I | 72.5 | Confident | 80.5 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -61.4 | -51.8 | -167.3 | -58.4 | 177 | 0 | 0 | 0 | 111.9 | L653 F704 F705 K711 G712 F714 | L653-I709 HydrophobicContact CD2-CD1 3.81Å; F704-I709 PolarHBondContact O-N 3.05Å; F705-I709 HydrophobicContact CD2-CB 4.12Å; F705-I709 HydrophobicContact CD2-CD1 4.34Å; F705-I709 HydrophobicContact CD2-CG2 4.08Å; F705-I709 HydrophobicContact CE2-CG2 4.15Å; F705-I709 PolarHBondContact O-N 3.25Å; I709-K711 PolarHBondContact O-N 3.13Å; I709-K711 VanDerWaalsContact O-N 3.11Å; I709-G712 PolarHBondContact O-N 3.43Å; I709-F714 HydrophobicContact CG2-CE1 4.18Å |
| 710 | R | 73.8 | Confident | 80.1 | Confident | 144 Ų | 144 | 62.3 Ų | 62.3 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61.5 | -19.7 | 178.4 | -175.4 | 175.5 | 176.9 | 154.1 | 4 | 113.5 | F705 N706 H708 | F705-R710 HydrophobicContact CD1-CB 4.16Å; F705-R710 HydrophobicContact CE1-CB 4.08Å; F705-R710 HydrophobicContact CE1-CG 4.47Å; F705-R710 WeakPolarHBondContact O-CB 3.37Å; F705-R710 PolarHBondContact O-N 2.96Å; N706-R710 VanDerWaalsContact OD1-CD 3.3Å; N706-R710 WeakPolarHBondContact OD1-CD 3.49Å; N706-R710 PolarHBondContact OD1-NH1 2.9Å; H708-R710 PolarHBondContact O-N 3.45Å |
| 711 | K | 73.5 | Confident | 79.8 | Confident | 149 Ų | 149 | 62.3 Ų | 62.3 | 65% | 0.648 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -99.1 | 8 | 176.3 | -60.6 | -172.1 | -177.5 | 179.6 | 0 | 112.9 | N706 H708 I709 K713 | N706-K711 WeakPolarHBondContact O-CE 3.5Å; H708-K711 CarbonylContact O-C 3.57Å; H708-K711 PolarHBondContact O-N 3.25Å; H708-K711 VanDerWaalsContact O-N 3.09Å; I709-K711 PolarHBondContact O-N 3.13Å; I709-K711 VanDerWaalsContact O-N 3.11Å; K711-K713 PolarHBondContact O-N 3.38Å |
| 712 | G | 60.3 | Low | 79.6 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 49% | 0.485 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 12.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H708 I709 F714 | H708-G712 PolarHBondContact O-N 3.07Å; I709-G712 PolarHBondContact O-N 3.43Å; G712-F714 WeakPolarHBondContact O-CD2 3.37Å; G712-F714 WeakPolarHBondContact O-CE2 3.26Å; G712-F714 PolarHBondContact O-N 3.15Å |
| 713 | K | 67 | Low | 79.3 | Confident | 140 Ų | 140 | 67.4 Ų | 67.4 | 61% | 0.609 | 33% | 0.325 | S | S | * | . | trans | -95.6 | 88.8 | 179.8 | -70.1 | -165.7 | 174.6 | -168.3 | 0 | 110 | H708 K711 S715 | H708-K713 CarbonylContact C-O 3.54Å; H708-K713 VanDerWaalsContact CB-O 3.29Å; H708-K713 WeakPolarHBondContact CB-O 3.18Å; H708-K713 PolarHBondContact O-N 2.74Å; K711-K713 PolarHBondContact O-N 3.38Å; K713-S715 PolarHBondContact O-N 3.24Å | ||
| 714 | F | 71.6 | Confident | 79.1 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -81.6 | 15.1 | -175.4 | -55.1 | -72.7 | 0 | 0 | 0 | 114.9 | H567 L568 P570 I709 G712 | H567-F714 CarbonylContact C-O 3.58Å; H567-F714 WeakPolarHBondContact CA-O 3.42Å; H567-F714 PolarHBondContact CE1-O 2.99Å; H567-F714 PolarHBondContact ND1-O 3.09Å; H567-F714 VanDerWaalsContact ND1-O 3.13Å; L568-F714 PolarHBondContact N-O 3.43Å; P570-F714 HydrophobicContact CB-CD1 4.4Å; P570-F714 HydrophobicContact CB-CE1 4.12Å; I709-F714 HydrophobicContact CG2-CE1 4.18Å; G712-F714 WeakPolarHBondContact O-CD2 3.37Å; G712-F714 WeakPolarHBondContact O-CE2 3.26Å; G712-F714 PolarHBondContact O-N 3.15Å | ||
| 715 | S | 70.9 | Confident | 79.2 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.4 | 174.3 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | I566 H708 K713 | I566-S715 WeakPolarHBondContact O-CA 3.36Å; H708-S715 PolarHBondContact ND1-O 2.66Å; H708-S715 VanDerWaalsContact ND1-O 3.15Å; K713-S715 PolarHBondContact O-N 3.24Å |
| 716 | A | 79.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I566 L568 F704 H708 I721 | I566-A716 PolarHBondContact N-O 2.83Å; I566-A716 PolarHBondContact O-N 3.37Å; L568-A716 HydrophobicContact CD1-CB 4.35Å; F704-A716 HydrophobicContact CE1-CB 4.07Å; H708-A716 VanDerWaalsContact CE1-CB 3.47Å; H708-A716 WeakPolarHBondContact CE1-CB 2.91Å; A716-I721 HydrophobicContact CB-CD1 4.02Å; A716-I721 HydrophobicContact CB-CG1 3.89Å |
| 717 | S | 82.6 | Confident | 79.4 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -77.5 | 142.4 | 178.4 | 86.3 | 0 | 0 | 0 | 0 | 111.6 | R719 I720 I721 | S717-R719 PolarHBondContact O-N 3.23Å; S717-R719 VanDerWaalsContact O-N 3.12Å; S717-I720 PolarHBondContact O-N 3.45Å; S717-I720 WeakPolarHBondContact OG-CD1 3.49Å; S717-I720 WeakPolarHBondContact OG-CG1 3.49Å; S717-I720 PolarHBondContact OG-N 3.05Å; S717-I721 WeakPolarHBondContact O-CG1 3.45Å; S717-I721 PolarHBondContact O-N 2.79Å | ||
| 718 | K | 82.9 | Confident | 79.7 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.1 | -38.7 | 178 | -164.1 | 171.8 | -172.4 | 175.9 | 0 | 113.2 | I566 D661 L662 I721 M722 | I566-K718 HydrophobicContact CD1-CB 3.61Å; I566-K718 HydrophobicContact CD1-CD 4.1Å; I566-K718 HydrophobicContact CD1-CG 3.63Å; D661-K718 IonicContact OD2-NZ 2.66Å; D661-K718 PolarHBondContact OD2-NZ 2.94Å; L662-K718 HydrophobicContact CD2-CG 3.76Å; K718-I721 PolarHBondContact O-N 3.38Å; K718-M722 HydrophobicContact CG-SD 4.03Å; K718-M722 WeakPolarHBondContact O-CB 3.42Å; K718-M722 WeakPolarHBondContact O-CG 3.46Å; K718-M722 PolarHBondContact O-N 2.91Å |
| 719 | R | 79 | Confident | 80 | Confident | 195 Ų | 195 | 63.6 Ų | 63.6 | 74% | 0.736 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | 178.1 | -131.8 | 178.7 | -168 | 179 | 4.2 | 112.4 | S717 R723 | S717-R719 PolarHBondContact O-N 3.23Å; S717-R719 VanDerWaalsContact O-N 3.12Å; R719-R723 WeakPolarHBondContact O-CB 3.31Å; R719-R723 PolarHBondContact O-N 2.83Å |
| 720 | I | 83 | Confident | 80.5 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.7 | -45.8 | 175.6 | -70.2 | 168.7 | 0 | 0 | 0 | 110.3 | S717 R723 T724 | S717-I720 PolarHBondContact O-N 3.45Å; S717-I720 WeakPolarHBondContact OG-CD1 3.49Å; S717-I720 WeakPolarHBondContact OG-CG1 3.49Å; S717-I720 PolarHBondContact OG-N 3.05Å; I720-R723 PolarHBondContact O-N 3.09Å; I720-T724 WeakPolarHBondContact O-CB 3.49Å; I720-T724 PolarHBondContact O-N 3.31Å; I720-T724 PolarHBondContact O-OG1 3.38Å |
| 721 | I | 86.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -54.5 | 178.2 | -61.6 | 160.6 | 0 | 0 | 0 | 109.7 | I566 M650 F654 L662 F704 A716 S717 K718 R723 T724 T725 | I566-I721 HydrophobicContact CB-CD1 3.68Å; I566-I721 HydrophobicContact CD1-CD1 3.97Å; I566-I721 HydrophobicContact CG1-CD1 4.38Å; I566-I721 HydrophobicContact CG2-CD1 3.79Å; M650-I721 HydrophobicContact CE-CG2 4.09Å; F654-I721 HydrophobicContact CD1-CD1 4.31Å; F654-I721 HydrophobicContact CE1-CD1 3.52Å; F654-I721 HydrophobicContact CE1-CG1 3.96Å; F654-I721 HydrophobicContact CE1-CG2 4.26Å; F654-I721 HydrophobicContact CE2-CG2 3.82Å; F654-I721 HydrophobicContact CZ-CB 4.35Å; F654-I721 HydrophobicContact CZ-CD1 3.9Å; F654-I721 HydrophobicContact CZ-CG1 3.87Å; F654-I721 HydrophobicContact CZ-CG2 3.5Å; F654-I721 VanDerWaalsContact CZ-CG2 3.5Å; L662-I721 HydrophobicContact CD1-CG2 4.04Å; L662-I721 HydrophobicContact CD2-CB 3.94Å; L662-I721 HydrophobicContact CD2-CD1 4.35Å; L662-I721 HydrophobicContact CD2-CG2 3.7Å; L662-I721 HydrophobicContact CG-CG2 4.47Å; F704-I721 HydrophobicContact CE1-CG1 4.17Å; F704-I721 HydrophobicContact CZ-CB 4.27Å; F704-I721 HydrophobicContact CZ-CG1 3.81Å; F704-I721 HydrophobicContact CZ-CG2 4.37Å; A716-I721 HydrophobicContact CB-CD1 4.02Å; A716-I721 HydrophobicContact CB-CG1 3.89Å; S717-I721 WeakPolarHBondContact O-CG1 3.45Å; S717-I721 PolarHBondContact O-N 2.79Å; K718-I721 PolarHBondContact O-N 3.38Å; I721-R723 PolarHBondContact O-N 2.59Å; I721-T724 PolarHBondContact O-N 2.92Å; I721-T725 WeakPolarHBondContact O-CB 3.24Å; I721-T725 PolarHBondContact O-N 3.38Å; I721-T725 PolarHBondContact O-OG1 2.83Å |
| 722 | M | 87.6 | Confident | 81.4 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | -179.8 | -71.6 | 165.4 | 46.3 | 0 | 0 | 113.2 | L662 G665 M669 K718 L726 | L662-M722 HydrophobicContact CD2-CG 3.95Å; G665-M722 VanDerWaalsContact CA-CE 3.49Å; M669-M722 HydrophobicContact CG-CE 4.19Å; M669-M722 HydrophobicContact SD-CB 3.88Å; M669-M722 HydrophobicContact SD-CE 3.52Å; M669-M722 VanDerWaalsContact SD-CE 3.52Å; K718-M722 HydrophobicContact CG-SD 4.03Å; K718-M722 WeakPolarHBondContact O-CB 3.42Å; K718-M722 WeakPolarHBondContact O-CG 3.46Å; K718-M722 PolarHBondContact O-N 2.91Å; M722-L726 WeakPolarHBondContact O-CB 3.34Å; M722-L726 PolarHBondContact O-N 3.07Å; M722-L726 VanDerWaalsContact O-N 3.13Å |
| 723 | R | 83.9 | Confident | 82.4 | Confident | 138 Ų | 138 | 51.5 Ų | 51.5 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 176.7 | -89.3 | -175.8 | 160.8 | 160.9 | -6.6 | 112.7 | M669 R719 I720 I721 S727 | M669-R723 HydrophobicContact CE-CG 3.82Å; R719-R723 WeakPolarHBondContact O-CB 3.31Å; R719-R723 PolarHBondContact O-N 2.83Å; I720-R723 PolarHBondContact O-N 3.09Å; I721-R723 PolarHBondContact O-N 2.59Å; R723-S727 VanDerWaalsContact O-CB 3.28Å; R723-S727 WeakPolarHBondContact O-CB 3.42Å; R723-S727 PolarHBondContact O-N 2.92Å; R723-S727 VanDerWaalsContact O-N 3.07Å |
| 724 | T | 86.4 | Confident | 83 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -44 | -178 | -55.1 | 0 | 0 | 0 | 0 | 111 | F704 I720 I721 S727 L728 | F704-T724 HydrophobicContact CE2-CG2 3.97Å; I720-T724 WeakPolarHBondContact O-CB 3.49Å; I720-T724 PolarHBondContact O-N 3.31Å; I720-T724 PolarHBondContact O-OG1 3.38Å; I721-T724 PolarHBondContact O-N 2.92Å; T724-S727 PolarHBondContact O-N 2.6Å; T724-L728 HydrophobicContact CG2-CD1 3.87Å; T724-L728 WeakPolarHBondContact O-CG 3.27Å; T724-L728 PolarHBondContact O-N 2.89Å |
| 725 | T | 89.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.7 | -55.8 | 177.3 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | L646 M650 F696 Y700 I721 S727 L728 F729 | L646-T725 HydrophobicContact CD2-CG2 3.53Å; M650-T725 HydrophobicContact CE-CG2 3.46Å; M650-T725 VanDerWaalsContact CE-CG2 3.46Å; M650-T725 VanDerWaalsContact CE-OG1 3.24Å; M650-T725 WeakPolarHBondContact CE-OG1 3.42Å; F696-T725 HydrophobicContact CE2-CG2 4.24Å; F696-T725 HydrophobicContact CZ-CG2 3.79Å; Y700-T725 HydrophobicContact CD2-CG2 4.46Å; Y700-T725 VanDerWaalsContact CE2-CA 3.48Å; Y700-T725 HydrophobicContact CE2-CG2 3.87Å; Y700-T725 WeakPolarHBondContact CE2-OG1 3.35Å; Y700-T725 VanDerWaalsContact CZ-OG1 3.31Å; Y700-T725 PolarHBondContact OH-OG1 2.91Å; I721-T725 WeakPolarHBondContact O-CB 3.24Å; I721-T725 PolarHBondContact O-N 3.38Å; I721-T725 PolarHBondContact O-OG1 2.83Å; T725-S727 VanDerWaalsContact C-N 3.31Å; T725-S727 PolarHBondContact O-N 3.37Å; T725-L728 PolarHBondContact O-N 2.99Å; T725-F729 VanDerWaalsContact O-CB 3.31Å; T725-F729 WeakPolarHBondContact O-CB 3.09Å; T725-F729 PolarHBondContact O-N 3.09Å |
| 726 | L | 87.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | -176.6 | -174.4 | 65.6 | 0 | 0 | 0 | 111.6 | M669 M722 F729 C730 | M669-L726 HydrophobicContact CB-CD2 3.6Å; M669-L726 HydrophobicContact CE-CD2 4.32Å; M722-L726 WeakPolarHBondContact O-CB 3.34Å; M722-L726 PolarHBondContact O-N 3.07Å; M722-L726 VanDerWaalsContact O-N 3.13Å; L726-F729 PolarHBondContact O-N 2.74Å; L726-C730 WeakPolarHBondContact O-CB 3.4Å; L726-C730 PolarHBondContact O-N 2.66Å; L726-C730 PolarHBondContact O-SG 3.23Å |
| 727 | S | 86.3 | Confident | 83.4 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.4 | -52.6 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | R723 T724 T725 F729 C730 K731 | R723-S727 VanDerWaalsContact O-CB 3.28Å; R723-S727 WeakPolarHBondContact O-CB 3.42Å; R723-S727 PolarHBondContact O-N 2.92Å; R723-S727 VanDerWaalsContact O-N 3.07Å; T724-S727 PolarHBondContact O-N 2.6Å; T725-S727 VanDerWaalsContact C-N 3.31Å; T725-S727 PolarHBondContact O-N 3.37Å; S727-F729 VanDerWaalsContact C-N 3.35Å; S727-F729 PolarHBondContact O-N 3.28Å; S727-C730 PolarHBondContact O-N 2.92Å; S727-K731 WeakPolarHBondContact O-CB 3.49Å; S727-K731 PolarHBondContact O-N 2.94Å |
| 728 | L | 88.7 | Confident | 82.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -32.8 | -179 | -66.9 | 172.9 | 0 | 0 | 0 | 112.4 | Y700 T724 T725 S732 | Y700-L728 HydrophobicContact CD2-CD1 4.15Å; T724-L728 HydrophobicContact CG2-CD1 3.87Å; T724-L728 WeakPolarHBondContact O-CG 3.27Å; T724-L728 PolarHBondContact O-N 2.89Å; T725-L728 PolarHBondContact O-N 2.99Å; L728-S732 WeakPolarHBondContact O-CB 3.39Å; L728-S732 PolarHBondContact O-N 3.31Å; L728-S732 PolarHBondContact O-OG 2.95Å |
| 729 | F | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -51.6 | 172.9 | -170.6 | -90.6 | 0 | 0 | 0 | 111.6 | F638 F642 I645 L646 I692 F696 T725 L726 S727 K731 S732 V733 | F638-F729 HydrophobicContact CE1-CE1 4.05Å; F638-F729 HydrophobicContact CE1-CZ 4.32Å; F638-F729 HydrophobicContact CE2-CZ 4.33Å; F638-F729 AromaticContact CZ-CE1 3.57Å; F638-F729 HydrophobicContact CZ-CE1 3.57Å; F638-F729 AromaticContact CZ-CZ 3.56Å; F638-F729 HydrophobicContact CZ-CZ 3.56Å; F642-F729 HydrophobicContact CD2-CD1 4.26Å; F642-F729 AromaticContact CD2-CE1 3.46Å; F642-F729 HydrophobicContact CD2-CE1 3.46Å; F642-F729 VanDerWaalsContact CD2-CE1 3.46Å; F642-F729 AromaticContact CD2-CE2 3.91Å; F642-F729 HydrophobicContact CD2-CE2 3.91Å; F642-F729 AromaticContact CD2-CZ 3.27Å; F642-F729 HydrophobicContact CD2-CZ 3.27Å; F642-F729 AromaticContact CE2-CD1 3.51Å; F642-F729 HydrophobicContact CE2-CD1 3.51Å; F642-F729 HydrophobicContact CE2-CD2 4.17Å; F642-F729 AromaticContact CE2-CE1 3.16Å; F642-F729 HydrophobicContact CE2-CE1 3.16Å; F642-F729 AromaticContact CE2-CE2 3.9Å; F642-F729 HydrophobicContact CE2-CE2 3.9Å; F642-F729 HydrophobicContact CE2-CG 4Å; F642-F729 AromaticContact CE2-CZ 3.4Å; F642-F729 HydrophobicContact CE2-CZ 3.4Å; F642-F729 HydrophobicContact CG-CE1 4.48Å; F642-F729 HydrophobicContact CG-CZ 4.38Å; F642-F729 HydrophobicContact CZ-CD1 4.15Å; F642-F729 AromaticContact CZ-CE1 3.99Å; F642-F729 HydrophobicContact CZ-CE1 3.99Å; I645-F729 HydrophobicContact CG2-CE2 4.1Å; L646-F729 HydrophobicContact CD2-CD2 4.38Å; I692-F729 HydrophobicContact CG2-CE2 4.49Å; I692-F729 HydrophobicContact CG2-CZ 4.45Å; F696-F729 HydrophobicContact CB-CD2 4.31Å; F696-F729 AromaticContact CD1-CD2 3.64Å; F696-F729 HydrophobicContact CD1-CD2 3.64Å; F696-F729 HydrophobicContact CD1-CE2 4.16Å; F696-F729 HydrophobicContact CD2-CB 3.84Å; F696-F729 AromaticContact CD2-CD2 3.87Å; F696-F729 HydrophobicContact CD2-CD2 3.87Å; F696-F729 HydrophobicContact CD2-CG 4.35Å; F696-F729 AromaticContact CE1-CD2 3.84Å; F696-F729 HydrophobicContact CE1-CD2 3.84Å; F696-F729 HydrophobicContact CE2-CB 3.76Å; F696-F729 HydrophobicContact CE2-CD2 4.08Å; F696-F729 HydrophobicContact CE2-CG 4.45Å; F696-F729 HydrophobicContact CG-CB 4.48Å; F696-F729 AromaticContact CG-CD2 3.65Å; F696-F729 HydrophobicContact CG-CD2 3.65Å; F696-F729 HydrophobicContact CG-CE2 4.4Å; F696-F729 HydrophobicContact CZ-CB 4.33Å; F696-F729 HydrophobicContact CZ-CD2 4.07Å; T725-F729 VanDerWaalsContact O-CB 3.31Å; T725-F729 WeakPolarHBondContact O-CB 3.09Å; T725-F729 PolarHBondContact O-N 3.09Å; L726-F729 PolarHBondContact O-N 2.74Å; S727-F729 VanDerWaalsContact C-N 3.35Å; S727-F729 PolarHBondContact O-N 3.28Å; F729-K731 VanDerWaalsContact C-N 3.31Å; F729-K731 PolarHBondContact O-N 3.49Å; F729-S732 WeakPolarHBondContact O-CB 3.12Å; F729-S732 PolarHBondContact O-N 2.99Å; F729-S732 VanDerWaalsContact O-N 3.1Å; F729-V733 HydrophobicContact CD1-CG2 4.04Å; F729-V733 HydrophobicContact CE1-CG2 3.62Å; F729-V733 HydrophobicContact CZ-CG2 4.02Å; F729-V733 WeakPolarHBondContact O-CG2 3.35Å; F729-V733 PolarHBondContact O-N 3.44Å |
| 730 | C | 83 | Confident | 81.3 | Confident | 23 Ų | 23 | 51 Ų | 51 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | F674 L726 S727 S732 V733 N734 | F674-C730 HydrophobicContact CZ-CB 4.33Å; F674-C730 WeakPolarHBondContact CZ-SG 3.37Å; L726-C730 WeakPolarHBondContact O-CB 3.4Å; L726-C730 PolarHBondContact O-N 2.66Å; L726-C730 PolarHBondContact O-SG 3.23Å; S727-C730 PolarHBondContact O-N 2.92Å; C730-S732 VanDerWaalsContact C-N 3.27Å; C730-S732 PolarHBondContact O-N 3.37Å; C730-V733 PolarHBondContact O-N 2.91Å; C730-N734 PolarHBondContact O-N 3.15Å |
| 731 | K | 83.1 | Confident | 79.5 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 177.3 | -154 | 172.1 | -167.5 | 176.8 | 0 | 112 | S727 F729 L735 M823 | S727-K731 WeakPolarHBondContact O-CB 3.49Å; S727-K731 PolarHBondContact O-N 2.94Å; F729-K731 VanDerWaalsContact C-N 3.31Å; F729-K731 PolarHBondContact O-N 3.49Å; K731-L735 WeakPolarHBondContact O-CB 3.5Å; K731-L735 PolarHBondContact O-N 3.46Å; K731-L735 VanDerWaalsContact O-N 3.07Å; K731-M823 PolarHBondContact NZ-O 3.14Å |
| 732 | S | 83.5 | Confident | 77.6 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.7 | -37.2 | 178.2 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | F696 L728 F729 C730 W736 | F696-S732 VanDerWaalsContact CA-OG 3.3Å; F696-S732 WeakPolarHBondContact CA-OG 3.4Å; L728-S732 WeakPolarHBondContact O-CB 3.39Å; L728-S732 PolarHBondContact O-N 3.31Å; L728-S732 PolarHBondContact O-OG 2.95Å; F729-S732 WeakPolarHBondContact O-CB 3.12Å; F729-S732 PolarHBondContact O-N 2.99Å; F729-S732 VanDerWaalsContact O-N 3.1Å; C730-S732 VanDerWaalsContact C-N 3.27Å; C730-S732 PolarHBondContact O-N 3.37Å; S732-W736 WeakPolarHBondContact O-CB 3.3Å; S732-W736 PolarHBondContact O-N 2.74Å; S732-W736 VanDerWaalsContact O-N 3.15Å |
| 733 | V | 81.3 | Confident | 74.9 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 111 | F638 I678 I692 F729 C730 W736 F737 | F638-V733 HydrophobicContact CE2-CG2 4.35Å; F638-V733 HydrophobicContact CZ-CG2 3.78Å; I678-V733 HydrophobicContact CD1-CG1 3.87Å; I692-V733 HydrophobicContact CG2-CG2 4Å; F729-V733 HydrophobicContact CD1-CG2 4.04Å; F729-V733 HydrophobicContact CE1-CG2 3.62Å; F729-V733 HydrophobicContact CZ-CG2 4.02Å; F729-V733 WeakPolarHBondContact O-CG2 3.35Å; F729-V733 PolarHBondContact O-N 3.44Å; C730-V733 PolarHBondContact O-N 2.91Å; V733-W736 WeakPolarHBondContact O-CB 3.32Å; V733-W736 PolarHBondContact O-N 2.68Å; V733-F737 HydrophobicContact CG1-CD2 4.27Å; V733-F737 PolarHBondContact O-N 3.31Å |
| 734 | N | 78.9 | Confident | 72.1 | Confident | 85 Ų | 85 | 68 Ų | 68 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 176.3 | -70 | -4.1 | 0 | 0 | 0 | 111.6 | C730 W736 F737 D738 | C730-N734 PolarHBondContact O-N 3.15Å; N734-W736 PolarHBondContact O-N 2.71Å; N734-F737 WeakPolarHBondContact O-CA 3.49Å; N734-F737 WeakPolarHBondContact O-CB 3.44Å; N734-F737 PolarHBondContact O-N 2.81Å; N734-D738 PolarHBondContact O-N 2.74Å |
| 735 | L | 76.4 | Confident | 69.4 | Low | 99 Ų | 99 | 71.6 Ų | 71.6 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.6 | -32.7 | 173.9 | -89.3 | 164.3 | 0 | 0 | 0 | 113.5 | K731 R739 | K731-L735 WeakPolarHBondContact O-CB 3.5Å; K731-L735 PolarHBondContact O-N 3.46Å; K731-L735 VanDerWaalsContact O-N 3.07Å; L735-R739 WeakPolarHBondContact O-CB 3.39Å; L735-R739 WeakPolarHBondContact O-CG 3.22Å; L735-R739 PolarHBondContact O-N 2.84Å |
| 736 | W | 82 | Confident | 66.5 | Low | 8 Ų | 8 | 77.8 Ų | 77.8 | 3% | 0.03 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74.4 | -38.5 | 174.3 | 172.9 | 87.4 | 0 | 0 | 0 | 112.1 | L684 N688 I692 S732 V733 N734 R739 L740 | L684-W736 HydrophobicContact CD2-CH2 3.41Å; L684-W736 VanDerWaalsContact CD2-CH2 3.41Å; L684-W736 HydrophobicContact CD2-CZ2 3.9Å; L684-W736 HydrophobicContact CD2-CZ3 4.32Å; N688-W736 HydrophobicContact CB-CZ2 3.67Å; I692-W736 HydrophobicContact CD1-CD2 3.78Å; I692-W736 HydrophobicContact CD1-CE3 4.01Å; I692-W736 HydrophobicContact CD1-CG 4.12Å; I692-W736 HydrophobicContact CG1-CB 3.98Å; I692-W736 HydrophobicContact CG1-CD2 3.83Å; I692-W736 HydrophobicContact CG1-CE3 4.42Å; I692-W736 HydrophobicContact CG1-CG 3.59Å; S732-W736 WeakPolarHBondContact O-CB 3.3Å; S732-W736 PolarHBondContact O-N 2.74Å; S732-W736 VanDerWaalsContact O-N 3.15Å; V733-W736 WeakPolarHBondContact O-CB 3.32Å; V733-W736 PolarHBondContact O-N 2.68Å; N734-W736 PolarHBondContact O-N 2.71Å; W736-R739 PolarHBondContact O-N 2.78Å; W736-L740 HydrophobicContact CD2-CD1 4.42Å; W736-L740 HydrophobicContact CE3-CD1 4.48Å; W736-L740 HydrophobicContact CH2-CD1 3.4Å; W736-L740 VanDerWaalsContact CH2-CD1 3.4Å; W736-L740 HydrophobicContact CZ2-CD1 3.33Å; W736-L740 HydrophobicContact CZ2-CG 4.33Å; W736-L740 HydrophobicContact CZ3-CD1 4.02Å; W736-L740 PolarHBondContact O-N 3.37Å |
| 737 | F | 71.8 | Confident | 63.5 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.1 | -111 | -78.1 | 0 | 0 | 0 | 112.5 | V733 N734 R739 L740 L742 | V733-F737 HydrophobicContact CG1-CD2 4.27Å; V733-F737 PolarHBondContact O-N 3.31Å; N734-F737 WeakPolarHBondContact O-CA 3.49Å; N734-F737 WeakPolarHBondContact O-CB 3.44Å; N734-F737 PolarHBondContact O-N 2.81Å; F737-R739 VanDerWaalsContact C-N 3.3Å; F737-R739 PolarHBondContact O-N 3.19Å; F737-L740 PolarHBondContact O-N 3.05Å; F737-L740 VanDerWaalsContact O-N 3.07Å; F737-L742 HydrophobicContact CD1-CB 4.4Å; F737-L742 HydrophobicContact CD1-CD1 4.43Å; F737-L742 HydrophobicContact CE1-CD1 4.17Å |
| 738 | D | 70.1 | Confident | 60.5 | Low | 90 Ų | 90 | 90.7 Ų | 90.7 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 178.4 | -69.4 | -39.2 | 0 | 0 | 0 | 111.1 | N734 L740 K741 R743 | N734-D738 PolarHBondContact O-N 2.74Å; D738-L740 VanDerWaalsContact C-N 3.27Å; D738-L740 PolarHBondContact O-N 2.88Å; D738-K741 PolarHBondContact O-N 3.29Å; D738-R743 IonicContact OD1-NE 3.79Å |
| 739 | R | 67.7 | Low | 57.4 | Low | 169 Ų | 169 | 96.5 Ų | 96.5 | 64% | 0.638 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61 | -29.5 | 172.9 | -88 | -174.7 | 172.6 | -166.9 | 0.5 | 114 | L735 W736 F737 K741 | L735-R739 WeakPolarHBondContact O-CB 3.39Å; L735-R739 WeakPolarHBondContact O-CG 3.22Å; L735-R739 PolarHBondContact O-N 2.84Å; W736-R739 PolarHBondContact O-N 2.78Å; F737-R739 VanDerWaalsContact C-N 3.3Å; F737-R739 PolarHBondContact O-N 3.19Å; R739-K741 VanDerWaalsContact C-N 3.31Å |
| 740 | L | 62.2 | Low | 54.4 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 41% | 0.414 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.4 | 178.1 | -76.8 | -177.6 | 0 | 0 | 0 | 114.2 | W736 F737 D738 L742 | W736-L740 HydrophobicContact CD2-CD1 4.42Å; W736-L740 HydrophobicContact CE3-CD1 4.48Å; W736-L740 HydrophobicContact CH2-CD1 3.4Å; W736-L740 VanDerWaalsContact CH2-CD1 3.4Å; W736-L740 HydrophobicContact CZ2-CD1 3.33Å; W736-L740 HydrophobicContact CZ2-CG 4.33Å; W736-L740 HydrophobicContact CZ3-CD1 4.02Å; W736-L740 PolarHBondContact O-N 3.37Å; F737-L740 PolarHBondContact O-N 3.05Å; F737-L740 VanDerWaalsContact O-N 3.07Å; D738-L740 VanDerWaalsContact C-N 3.27Å; D738-L740 PolarHBondContact O-N 2.88Å; L740-L742 HydrophobicContact CB-CD1 4.06Å; L740-L742 HydrophobicContact CB-CG 4.11Å; L740-L742 HydrophobicContact CD1-CD1 3.97Å; L740-L742 PolarHBondContact O-N 3.49Å; L740-L742 VanDerWaalsContact O-N 3.15Å |
| 741 | K | 46.7 | Very low | 51.6 | Low | 174 Ų | 174 | 108.6 Ų | 108.6 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.1 | 24.5 | -176.1 | -62.8 | -171.2 | 173.2 | -172.5 | 0 | 114.9 | D738 R739 R743 | D738-K741 PolarHBondContact O-N 3.29Å; R739-K741 VanDerWaalsContact C-N 3.31Å; K741-R743 PolarHBondContact O-N 3.01Å |
| 742 | L | 46.2 | Very low | 48.8 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 39% | 0.387 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -70.9 | 2.4 | -180 | -77.3 | 169.2 | 0 | 0 | 0 | 114.6 | F737 L740 N744 | F737-L742 HydrophobicContact CD1-CB 4.4Å; F737-L742 HydrophobicContact CD1-CD1 4.43Å; F737-L742 HydrophobicContact CE1-CD1 4.17Å; L740-L742 HydrophobicContact CB-CD1 4.06Å; L740-L742 HydrophobicContact CB-CG 4.11Å; L740-L742 HydrophobicContact CD1-CD1 3.97Å; L740-L742 PolarHBondContact O-N 3.49Å; L740-L742 VanDerWaalsContact O-N 3.15Å; L742-N744 PolarHBondContact O-N 2.83Å |
| 743 | R | 29.5 | Very low | 46.1 | Very low | 212 Ų | 212 | 119 Ų | 119 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -70.8 | -3.3 | 172 | -91.4 | -177.5 | -179.8 | -100.7 | 0.1 | 115 | D738 K741 | D738-R743 IonicContact OD1-NE 3.79Å; K741-R743 PolarHBondContact O-N 3.01Å |
| 744 | N | 27 | Very low | 43.6 | Very low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -120.1 | 24.9 | -178.7 | -72.1 | 64.8 | 0 | 0 | 0 | 113.1 | L742 | L742-N744 PolarHBondContact O-N 2.83Š|
| 745 | V | 28.8 | Very low | 41.1 | Very low | 110 Ų | 110 | 128 Ų | 128 | 67% | 0.667 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -138.5 | 37.6 | 177.8 | -155.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 746 | V | 28.7 | Very low | 38.8 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -147.4 | 69.7 | 158.5 | -170 | 0 | 0 | 0 | 0 | 108.2 | ||
| 747 | D | 23.8 | Very low | 36.2 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -163.7 | 66.6 | 166 | -93.9 | -34.4 | 0 | 0 | 0 | 107.9 | ||
| 748 | D | 23.7 | Very low | 34.3 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 173.4 | 148.3 | 148.8 | -93.1 | -25.2 | 0 | 0 | 0 | 108.9 | ||
| 749 | D | 24 | Very low | 32.1 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 46.1 | 82.7 | 176.2 | -75.2 | -21.1 | 0 | 0 | 0 | 117.9 | ||
| 750 | I | 24.6 | Very low | 30.3 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 82% | 0.821 | 74% | 0.74 | S | S | * | * | -161.5 | 115.7 | 106.1 | -93 | 150.2 | 0 | 0 | 0 | 109.5 | I752 | I750-I752 HydrophobicContact CG2-CG1 4.49Š| |||
| 751 | S | 22.9 | Very low | 28.6 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -95.1 | 114.8 | 160.9 | 177.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 752 | I | 25.8 | Very low | 27.8 | Very low | 154 Ų | 154 | 138 Ų | 138 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -136.2 | 110.9 | 151.1 | -63.3 | -174.4 | 0 | 0 | 0 | 106.5 | I750 | I750-I752 HydrophobicContact CG2-CG1 4.49Š| ||
| 753 | D | 26.4 | Very low | 26.8 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -73.7 | 161.9 | 177 | -149.4 | -29.3 | 0 | 0 | 0 | 111.6 | ||||
| 754 | S | 29 | Very low | 26.7 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | -66.9 | 147.1 | -171.6 | 63.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 755 | L | 25.9 | Very low | 26.7 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 99% | 0.99 | 76% | 0.762 | S | S | * | * | trans | -85.3 | 110.5 | 160.3 | -147.6 | 92 | 0 | 0 | 0 | 108.5 | ||||
| 756 | C | 27.4 | Very low | 26.7 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -120.6 | 138.7 | -174.1 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | Q758 | C756-Q758 PolarHBondContact SG-N 3.49Å; C756-Q758 VanDerWaalsContact SG-N 3.41Å | ||
| 757 | G | 27 | Very low | 26.6 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -122 | 101.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 758 | Q | 32 | Very low | 27 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 62.2 | 129.7 | 86.6 | -67.3 | -166.9 | 2.6 | 0 | 0 | 112.2 | C756 | C756-Q758 PolarHBondContact SG-N 3.49Å; C756-Q758 VanDerWaalsContact SG-N 3.41Å | |||
| 759 | S | 25.7 | Very low | 27.2 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | -133.3 | 134.8 | 51.6 | 54.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 760 | Q | 29.1 | Very low | 27.5 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | trans | 65.1 | 149.4 | 135.1 | -68.1 | 163.5 | -88.5 | 0 | 0 | 119.5 | ||||
| 761 | E | 26.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | cis | -151.9 | 153.6 | 8.3 | -143.3 | 153.5 | -126.9 | 0 | 0 | 113.5 | ||||
| 762 | M | 28.5 | Very low | 28 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | trans | 20.5 | 147.5 | 154.2 | -69.8 | -175.7 | -175 | 0 | 0 | 122.3 | ||||
| 763 | N | 26.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | cis | -158 | 178.4 | 21.5 | -131.5 | -28 | 0 | 0 | 0 | 114.8 | ||||
| 764 | C | 27.5 | Very low | 28.4 | Very low | 107 Ų | 107 | 131 Ų | 131 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | -73.5 | 179.7 | -169.9 | -41.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 765 | S | 27.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | cis | -170.7 | 152 | 17 | 10.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 766 | N | 28.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | 45.9 | 151.2 | 132.4 | -61.3 | 36.9 | 0 | 0 | 0 | 121.5 | ||||
| 767 | E | 26.5 | Very low | 28.6 | Very low | 144 Ų | 144 | 127 Ų | 127 | 67% | 0.673 | 67% | 0.673 | S | S | * | * | cis | -166.1 | 152.8 | 4.7 | -122.1 | 175.4 | -107.4 | 0 | 0 | 113.2 | ||||
| 768 | N | 30.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | 40.7 | 158.4 | 136.6 | -63.4 | -11.3 | 0 | 0 | 0 | 124.9 | ||||
| 769 | V | 29.7 | Very low | 28.3 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 58% | 0.582 | 66% | 0.659 | S | S | * | * | cis | -170.2 | 152.1 | -19.6 | 147.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 770 | F | 29 | Very low | 28.9 | Very low | 175 Ų | 175 | 126 Ų | 126 | 77% | 0.768 | 66% | 0.661 | S | S | * | * | trans | 151.9 | 116.3 | 137.6 | -89.4 | -66.7 | 0 | 0 | 0 | 116.4 | ||||
| 771 | E | 27.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | 11.8 | 153.6 | 124.2 | -43.7 | 173.6 | 155.3 | 0 | 0 | 119.5 | |||||
| 772 | D | 30.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | cis | -164.8 | 171.5 | 3.5 | -138.7 | -29.7 | 0 | 0 | 0 | 113.3 | ||||
| 773 | Q | 30 | Very low | 28.8 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | trans | 33.7 | 146.2 | 144.3 | -82.6 | 161.6 | 67.3 | 0 | 0 | 123.3 | ||||
| 774 | D | 29.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 67% | 0.674 | 67% | 0.674 | S | S | * | * | cis | -170.9 | 173.2 | -5.3 | -162.4 | 6.8 | 0 | 0 | 0 | 112.4 | ||||
| 775 | N | 29.8 | Very low | 28.8 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 47% | 0.471 | 68% | 0.676 | S | S | . | * | trans | 79.6 | 121.3 | 154 | -74.1 | -61.8 | 0 | 0 | 0 | 124.8 | ||||
| 776 | H | 29.7 | Very low | 28.9 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 44% | 0.435 | 68% | 0.68 | S | S | . | * | trans | 75.9 | 150.9 | 133.7 | -71 | 13.8 | 0 | 0 | 0 | 119.5 | L1654 | H776-L1654 VanDerWaalsContact CD2-CD2 3.41Å; H776-L1654 WeakPolarHBondContact CD2-CD2 3.46Å | ||
| 777 | Q | 26.9 | Very low | 28.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 51% | 0.509 | 67% | 0.673 | S | S | . | * | cis | -156.4 | 159 | -5.9 | -124.7 | -178.7 | 17.4 | 0 | 0 | 113 | ||||
| 778 | L | 25.5 | Very low | 28.8 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | trans | 69.1 | 136.9 | 150.1 | -71.7 | 167.3 | 0 | 0 | 0 | 122.8 | Y1650 | L778-Y1650 HydrophobicContact CB-CE1 4.13Å; L778-Y1650 WeakPolarHBondContact CB-OH 3.19Å; L778-Y1650 HydrophobicContact CD1-CE1 4.09Å | ||
| 779 | S | 27.6 | Very low | 28.6 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | trans | -106.6 | -154.3 | -176.5 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | Y1650 | S779-Y1650 PolarHBondContact O-OH 3.3Š| ||
| 780 | P | 38.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | -125.8 | 171.9 | -81.4 | 38.4 | -23.9 | 0 | 0 | 0 | 113 | |||||
| 781 | L | 25.5 | Very low | 28.3 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 87% | 0.869 | 68% | 0.68 | S | S | * | * | 174.9 | 160.1 | 129.2 | -97.7 | 161.6 | 0 | 0 | 0 | 112 | |||||
| 782 | E | 29.2 | Very low | 28.4 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -90.3 | 149.6 | -173.5 | -56 | 156.3 | 118.4 | 0 | 0 | 112.4 | ||||
| 783 | M | 27.8 | Very low | 28.1 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 85% | 0.847 | 68% | 0.68 | S | S | * | * | trans | -153.4 | 91.5 | 140.9 | -114.7 | -164.9 | 75.8 | 0 | 0 | 112.1 | ||||
| 784 | N | 27.5 | Very low | 28 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | trans | 28.5 | 135.1 | 132 | -85.7 | -31.4 | 0 | 0 | 0 | 121.9 | ||||
| 785 | Q | 27.4 | Very low | 28.1 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 77% | 0.771 | 69% | 0.687 | S | S | * | * | trans | 102.1 | 145.6 | 130.9 | -80.7 | 165.2 | -4.4 | 0 | 0 | 120.5 | ||||
| 786 | D | 28.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | trans | 58 | 134.7 | 170 | -66.2 | -35.3 | 0 | 0 | 0 | 120.2 | ||||
| 787 | S | 27.3 | Very low | 28.5 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | cis | 165 | 159.5 | -32.6 | 48.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 788 | N | 27.1 | Very low | 28.8 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | 67.9 | 108.2 | 156.2 | -65.1 | -27.6 | 0 | 0 | 0 | 121.1 | ||||
| 789 | L | 26.5 | Very low | 29.2 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | 87.9 | 140.9 | 121.7 | -95.4 | 69.4 | 0 | 0 | 0 | 121.6 | |||||
| 790 | L | 25.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 70.8 | 105.5 | 144.1 | -72.1 | 171.1 | 0 | 0 | 0 | 119.9 | ||||
| 791 | S | 26.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | 85.6 | 153 | 111.9 | 78.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 792 | K | 29.5 | Very low | 28.9 | Very low | 193 Ų | 193 | 134.9 Ų | 134.9 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | cis | -166.2 | 161.6 | -1.8 | -117.8 | 169.2 | 174.6 | -171.2 | 0 | 104.4 | ||||
| 793 | S | 25.2 | Very low | 29 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 51% | 0.51 | 73% | 0.732 | S | S | . | * | cis | -178.9 | 179.2 | -18.8 | 43.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 794 | D | 27.8 | Very low | 29 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 75.8 | 132.6 | 156.3 | -45.2 | -44.5 | 0 | 0 | 0 | 118.6 | ||||
| 795 | G | 31 | Very low | 29.1 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 165.8 | 48.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 796 | D | 34.4 | Very low | 29.1 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 71.1 | 112.8 | 151.8 | -66.2 | 6.1 | 0 | 0 | 0 | 122.8 | ||||
| 797 | N | 33.8 | Very low | 29.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | 80.3 | 138 | 126.8 | -56.3 | -13.5 | 0 | 0 | 0 | 121 | |||||
| 798 | Y | 32 | Very low | 29.2 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | cis | -163 | 157.9 | -11.7 | -120.8 | -54.4 | 0 | 0 | 0 | 111.7 | ||||
| 799 | S | 34.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | trans | 68.3 | 139.2 | 156.2 | -74.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 800 | E | 30.1 | Very low | 29.9 | Very low | 181 Ų | 181 | 125 Ų | 125 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | cis | -161 | 174.6 | -14.4 | -142 | 153.8 | 170.5 | 0 | 0 | 110.7 | ||||
| 801 | A | 26.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | trans | -145.1 | -165.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 802 | I | 29.7 | Very low | 30.2 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 82% | 0.815 | 68% | 0.676 | S | S | * | * | trans | 84.5 | 128.5 | 172.4 | -49.3 | 165.1 | 0 | 0 | 0 | 111.5 | ||||
| 803 | V | 30.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 119.7 Ų | 119.7 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | -133.7 | 159.7 | 51.8 | 176 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 804 | E | 27.7 | Very low | 30.4 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | -95.6 | 155.2 | -176.5 | -50.5 | 162.6 | 126.3 | 0 | 0 | 114 | ||||
| 805 | Q | 30.1 | Very low | 30.4 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 68% | 0.676 | S | S | * | * | 165.6 | 168.8 | 119 | -87.3 | 177.4 | 12.3 | 0 | 0 | 113.5 | |||||
| 806 | S | 27.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | trans | -115.8 | -179.5 | -165 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 807 | S | 27.5 | Very low | 30 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 54% | 0.538 | 68% | 0.678 | S | S | . | * | cis | -170 | 151 | 13 | 8.5 | 0 | 0 | 0 | 0 | 113.5 | N840 | S807-N840 PolarHBondContact O-ND2 3.02Š| ||
| 808 | N | 29.7 | Very low | 29.8 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | trans | 73.8 | 128.7 | 143.6 | -63.3 | 13.5 | 0 | 0 | 0 | 124.9 | D838 F839 N840 | N808-D838 WeakPolarHBondContact CA-OD1 3.32Å; N808-F839 CarbonylContact C-O 3.48Å; N808-N840 PolarHBondContact O-ND2 3.45Å; N808-N840 PolarHBondContact O-OD1 3.21Å | ||
| 809 | N | 34.7 | Very low | 29.5 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 37% | 0.374 | 69% | 0.689 | S | S | . | * | trans | 48.3 | 129.4 | 138.2 | -68.9 | -127.8 | 0 | 0 | 0 | 120 | N837 D838 F839 N840 | N809-N837 VanDerWaalsContact OD1-CB 3.26Å; N809-N837 WeakPolarHBondContact OD1-CB 3.34Å; N809-D838 PolarHBondContact N-OD1 3.05Å; N809-D838 PolarHBondContact ND2-OD1 2.63Å; N809-F839 CarbonylContact C-O 3.53Å; N809-F839 WeakPolarHBondContact CA-O 3.37Å; N809-F839 PolarHBondContact N-O 2.99Å; N809-N840 WeakPolarHBondContact O-CA 3.43Å; N809-N840 PolarHBondContact O-OD1 2.82Å | ||
| 810 | F | 34.5 | Very low | 29.2 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 38% | 0.382 | 68% | 0.682 | S | S | . | * | cis | -157.4 | 172.8 | -7.9 | -159.8 | -164.8 | 0 | 0 | 0 | 106.2 | N837 D838 F839 | F810-N837 HydrophobicContact CB-CB 4.34Å; F810-N837 HydrophobicContact CD1-CB 3.56Å; F810-N837 WeakPolarHBondContact CD1-OD1 3.4Å; F810-N837 HydrophobicContact CD2-CB 4.16Å; F810-N837 HydrophobicContact CE1-CB 3.81Å; F810-N837 VanDerWaalsContact CE1-CG 3.41Å; F810-N837 WeakPolarHBondContact CE1-OD1 3.34Å; F810-N837 HydrophobicContact CE2-CB 4.37Å; F810-N837 HydrophobicContact CG-CB 3.78Å; F810-N837 HydrophobicContact CZ-CB 4.2Å; F810-D838 VanDerWaalsContact CD2-O 3.28Å; F810-D838 WeakPolarHBondContact CD2-O 3.38Å; F810-F839 VanDerWaalsContact CA-CB 3.47Å; F810-F839 HydrophobicContact CD2-CB 4.33Å | ||
| 811 | L | 32.7 | Very low | 29.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 50% | 0.503 | 68% | 0.679 | S | S | . | * | cis | -142.6 | -176.9 | 22.3 | -100 | 167.1 | 0 | 0 | 0 | 108.6 | F839 | L811-F839 VanDerWaalsContact C-CD2 3.47Å; L811-F839 WeakPolarHBondContact O-CB 3.37Å; L811-F839 WeakPolarHBondContact O-CD2 3.45Å; L811-F839 WeakPolarHBondContact O-CG 3.42Å | ||
| 812 | D | 25.8 | Very low | 29 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | cis | -166.7 | -179 | 24.7 | -148.1 | -20.3 | 0 | 0 | 0 | 113.7 | ||||
| 813 | V | 28.6 | Very low | 28.8 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | 55.5 | 105.3 | 159.5 | -173.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 814 | E | 28.8 | Very low | 28.6 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 83% | 0.832 | 66% | 0.659 | S | S | * | * | trans | 45.6 | 152.8 | 132.6 | -53.8 | -171.7 | 148 | 0 | 0 | 123.3 | ||||
| 815 | E | 29.4 | Very low | 28.5 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | cis | -149.3 | 168.9 | 4.7 | -139.3 | -156 | 150.6 | 0 | 0 | 114.8 | ||||
| 816 | Y | 28.9 | Very low | 28.2 | Very low | 204 Ų | 204 | 121.2 Ų | 121.2 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | trans | -56.6 | 174.6 | -176.7 | -80.2 | -115.4 | 0 | 0 | 0 | 119.5 | ||||
| 817 | S | 27.9 | Very low | 28 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | cis | -177.4 | -168.5 | -20.7 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 818 | N | 28.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | trans | -115.6 | 172.1 | -159.8 | -113.2 | -32.6 | 0 | 0 | 0 | 118.1 | ||||
| 819 | F | 26.8 | Very low | 27.6 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 84% | 0.842 | 68% | 0.683 | S | S | * | * | trans | -14.7 | -148.9 | 161.6 | -98.7 | -92.6 | 0 | 0 | 0 | 123.1 | ||||
| 820 | D | 27.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 47% | 0.471 | 71% | 0.707 | S | S | . | * | trans | -147.6 | -164.5 | -144.8 | -154.9 | 58.4 | 0 | 0 | 0 | 114.9 | R673 | R673-D820 IonicContact CZ-OD1 2.69Å; R673-D820 IonicContact NE-OD1 2.97Å; R673-D820 PolarHBondContact NE-OD1 3.15Å; R673-D820 IonicContact NH2-OD1 2.61Å; R673-D820 PolarHBondContact NH2-OD1 3.31Å | ||
| 821 | I | 27.8 | Very low | 26.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | 85.4 | 170.1 | 168.5 | -56 | 162.5 | 0 | 0 | 0 | 117.7 | ||||
| 822 | S | 25 | Very low | 26.3 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 53% | 0.531 | 72% | 0.718 | S | S | . | * | trans | -150.5 | 160.3 | -165.6 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 823 | M | 24.4 | Very low | 26.2 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -171.6 | -133.6 | 146.9 | -98.4 | -85.2 | -108.1 | 0 | 0 | 112.7 | K731 | K731-M823 PolarHBondContact NZ-O 3.14Š| ||
| 824 | T | 26.3 | Very low | 26 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -162.4 | 176.2 | -163.8 | 0.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 825 | V | 25.2 | Very low | 25.8 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | cis | -130.8 | -95.3 | 32.7 | -166.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 826 | S | 24.4 | Very low | 25.6 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | -148.5 | 166.6 | -164.1 | -63.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 827 | D | 24.4 | Very low | 25.7 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 77.8 | 85.9 | 157.8 | -60.2 | -3 | 0 | 0 | 0 | 120.6 | ||||
| 828 | D | 25.5 | Very low | 25.7 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | 60.9 | 142.5 | 135.1 | -78.9 | -6 | 0 | 0 | 0 | 124.4 | ||||
| 829 | A | 22.9 | Very low | 25.7 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | 82.8 | 134.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 830 | F | 23.1 | Very low | 25.8 | Very low | 199 Ų | 199 | 121.9 Ų | 121.9 | 87% | 0.873 | 66% | 0.658 | S | S | * | * | trans | 77.5 | 139.3 | 172.2 | -88.3 | -91.7 | 0 | 0 | 0 | 120.4 | ||||
| 831 | L | 28.5 | Very low | 26 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | trans | 63 | 86.5 | 165.8 | -57.2 | 171.2 | 0 | 0 | 0 | 114.7 | ||||
| 832 | D | 23 | Very low | 26 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 46% | 0.46 | 67% | 0.671 | S | S | . | * | cis | 55.8 | 83.5 | 31 | -152.1 | -12.2 | 0 | 0 | 0 | 110.5 | Y1587 | D832-Y1587 WeakPolarHBondContact CB-OH 3.47Å; D832-Y1587 PolarHBondContact O-OH 3.01Å; D832-Y1587 VanDerWaalsContact O-OH 3.11Å; D832-Y1587 VanDerWaalsContact OD1-CE2 3.3Å; D832-Y1587 WeakPolarHBondContact OD1-CE2 3.2Å; D832-Y1587 PolarHBondContact OD1-OH 3.27Å; D832-Y1587 VanDerWaalsContact OD1-OH 3.06Å; D832-Y1587 PolarHBondContact OD2-OH 3.48Å | ||
| 833 | C | 24 | Very low | 26.3 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | trans | -130.3 | 78.2 | -171.2 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | F835 | C833-F835 PolarHBondContact O-N 3.2Š| ||
| 834 | N | 24.4 | Very low | 26.6 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | trans | -63.7 | 115.8 | 161.3 | -81.7 | -4 | 0 | 0 | 0 | 108.7 | Y1587 | N834-Y1587 HydrophobicContact CB-CE2 4.43Å; N834-Y1587 VanDerWaalsContact ND2-CD2 3.34Å; N834-Y1587 WeakPolarHBondContact ND2-CD2 3.23Å | ||
| 835 | F | 24.8 | Very low | 26.5 | Very low | 205 Ų | 205 | 127.8 Ų | 127.8 | 90% | 0.899 | 69% | 0.692 | S | S | * | * | trans | -101.9 | 81.2 | 158.1 | -95.3 | -79.3 | 0 | 0 | 0 | 107.9 | C833 | C833-F835 PolarHBondContact O-N 3.2Š| ||
| 836 | E | 25.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | trans | -115.5 | 115 | 162.7 | -93.7 | -156.7 | -155.8 | 0 | 0 | 109.6 | ||||
| 837 | N | 29.7 | Very low | 26.4 | Very low | 58 Ų | 58 | 133.6 Ų | 133.6 | 31% | 0.31 | 70% | 0.699 | S | S | . | * | trans | 83.5 | 125.1 | 137.9 | -43.7 | -14.7 | 0 | 0 | 0 | 119 | N809 F810 | N809-N837 VanDerWaalsContact OD1-CB 3.26Å; N809-N837 WeakPolarHBondContact OD1-CB 3.34Å; F810-N837 HydrophobicContact CB-CB 4.34Å; F810-N837 HydrophobicContact CD1-CB 3.56Å; F810-N837 WeakPolarHBondContact CD1-OD1 3.4Å; F810-N837 HydrophobicContact CD2-CB 4.16Å; F810-N837 HydrophobicContact CE1-CB 3.81Å; F810-N837 VanDerWaalsContact CE1-CG 3.41Å; F810-N837 WeakPolarHBondContact CE1-OD1 3.34Å; F810-N837 HydrophobicContact CE2-CB 4.37Å; F810-N837 HydrophobicContact CG-CB 3.78Å; F810-N837 HydrophobicContact CZ-CB 4.2Å | ||
| 838 | D | 28.9 | Very low | 26.5 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | trans | -161.2 | 142.1 | 147.8 | -143.2 | 10.4 | 0 | 0 | 0 | 113.2 | N808 N809 F810 | N808-D838 WeakPolarHBondContact CA-OD1 3.32Å; N809-D838 PolarHBondContact N-OD1 3.05Å; N809-D838 PolarHBondContact ND2-OD1 2.63Å; F810-D838 VanDerWaalsContact CD2-O 3.28Å; F810-D838 WeakPolarHBondContact CD2-O 3.38Å | ||
| 839 | F | 27.4 | Very low | 26.4 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | trans | 173.5 | -147.2 | 172.3 | -113.8 | -77.8 | 0 | 0 | 0 | 106 | N808 N809 F810 L811 | N808-F839 CarbonylContact C-O 3.48Å; N809-F839 CarbonylContact C-O 3.53Å; N809-F839 WeakPolarHBondContact CA-O 3.37Å; N809-F839 PolarHBondContact N-O 2.99Å; F810-F839 VanDerWaalsContact CA-CB 3.47Å; F810-F839 HydrophobicContact CD2-CB 4.33Å; L811-F839 VanDerWaalsContact C-CD2 3.47Å; L811-F839 WeakPolarHBondContact O-CB 3.37Å; L811-F839 WeakPolarHBondContact O-CD2 3.45Å; L811-F839 WeakPolarHBondContact O-CG 3.42Å | ||
| 840 | N | 30 | Very low | 26.5 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 41% | 0.406 | 69% | 0.687 | S | S | . | * | trans | -165 | 149 | 154.9 | -148.5 | -17.6 | 0 | 0 | 0 | 112.3 | S807 N808 N809 G842 | S807-N840 PolarHBondContact O-ND2 3.02Å; N808-N840 PolarHBondContact O-ND2 3.45Å; N808-N840 PolarHBondContact O-OD1 3.21Å; N809-N840 WeakPolarHBondContact O-CA 3.43Å; N809-N840 PolarHBondContact O-OD1 2.82Å; N840-G842 PolarHBondContact OD1-N 2.82Å | ||
| 841 | D | 31.7 | Very low | 26.7 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | -167.8 | 130.8 | 103.2 | -87.6 | -27.4 | 0 | 0 | 0 | 110.4 | |||||
| 842 | G | 26 | Very low | 26.5 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | trans | -139.1 | 144.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | N840 | N840-G842 PolarHBondContact OD1-N 2.82Š| ||
| 843 | E | 32.3 | Very low | 26.7 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -141.6 | 113.8 | 174.9 | -138.9 | 177.2 | -157.9 | 0 | 0 | 113.1 | ||||
| 844 | I | 30.5 | Very low | 27 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 72% | 0.716 | S | S | * | * | trans | 60.2 | 129.6 | 142.3 | -64 | 174.5 | 0 | 0 | 0 | 121 | ||||
| 845 | L | 23.4 | Very low | 27.2 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -66.9 | 174.1 | 175 | -145 | 71.6 | 0 | 0 | 0 | 114 | ||||
| 846 | E | 23 | Very low | 27.2 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | 62.2 | 88.5 | 158.4 | -67 | -177.1 | 165.9 | 0 | 0 | 118.8 | ||||
| 847 | H | 25 | Very low | 27.1 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 89% | 0.889 | 72% | 0.716 | S | S | * | * | -163.2 | 158 | 121.4 | -97.4 | -21.8 | 0 | 0 | 0 | 112.3 | |||||
| 848 | L | 27.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 75.1 | 55.7 | 171.6 | -58.4 | 174.1 | 0 | 0 | 0 | 119.3 | ||||
| 849 | E | 21.9 | Very low | 26.7 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 95% | 0.953 | 75% | 0.752 | S | S | * | * | -103.8 | 74.7 | 125.5 | -90.5 | -155.2 | 145 | 0 | 0 | 109.9 | |||||
| 850 | S | 26.4 | Very low | 26.7 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 46% | 0.462 | 76% | 0.76 | S | S | . | * | trans | -171.9 | 98.7 | 160.6 | 59.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 851 | A | 27.4 | Very low | 26.6 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 94% | 0.942 | 78% | 0.776 | S | S | * | * | -66.3 | 109 | 84 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 852 | L | 23.7 | Very low | 26.2 | Very low | 145 Ų | 145 | 142 Ų | 142 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -113.7 | 128.2 | 158.6 | -78.2 | 170.6 | 0 | 0 | 0 | 107.7 | ||||
| 853 | D | 26.6 | Very low | 26.8 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | 179.5 | 133.2 | 154.6 | -97.3 | -16.8 | 0 | 0 | 0 | 107.5 | ||||
| 854 | V | 30.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | cis | -159.6 | 163 | -18.6 | 93 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 855 | D | 27.7 | Very low | 26.3 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 54.7 | 105.6 | 164.7 | -63.7 | -13.9 | 0 | 0 | 0 | 123.2 | ||||
| 856 | Y | 25.9 | Very low | 26.4 | Very low | 216 Ų | 216 | 131.2 Ų | 131.2 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | 38.1 | 122.5 | 107.7 | -87.3 | -101.1 | 0 | 0 | 0 | 122.8 | |||||
| 857 | S | 23.5 | Very low | 26.5 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | 90.5 | 133.9 | 126.7 | -90.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 858 | D | 25.7 | Very low | 26.4 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | 71 | 113.8 | 138 | -55.9 | 11.6 | 0 | 0 | 0 | 122.4 | ||||
| 859 | D | 24.5 | Very low | 26.3 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | trans | 19.8 | 129.4 | 147.1 | -61.5 | -13.1 | 0 | 0 | 0 | 122 | ||||
| 860 | I | 27.5 | Very low | 26.4 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | 176 | 123.2 | 121.2 | -93.2 | 160.8 | 0 | 0 | 0 | 113.9 | |||||
| 861 | I | 28.3 | Very low | 26.7 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 61.1 | 121.6 | 143.7 | -61.6 | 175.6 | 0 | 0 | 0 | 123 | ||||
| 862 | D | 23.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -39.4 | -174.2 | 149.4 | -107.3 | -17.2 | 0 | 0 | 0 | 118.3 | I1567 | D862-I1567 PolarHBondContact OD1-N 2.99Š| ||
| 863 | P | 39 | Very low | 26.9 | Very low | 79 Ų | 79 | 126 Ų | 126 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | cis | -125.1 | -147.1 | -44.2 | 30.9 | -8.2 | 0 | 0 | 0 | 110.8 | F1566 | P863-F1566 CarbonylContact C-O 3.33Å; P863-F1566 WeakPolarHBondContact CA-O 3.34Å | ||
| 864 | I | 27.4 | Very low | 27 | Very low | 133 Ų | 133 | 124 Ų | 124 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | trans | 86.9 | 150.2 | 158.6 | -65.2 | 169.9 | 0 | 0 | 0 | 117.3 | G1565 | I864-G1565 PolarHBondContact N-O 3.41Š| ||
| 865 | S | 23.6 | Very low | 27 | Very low | 58 Ų | 58 | 122.6 Ų | 122.6 | 41% | 0.406 | 65% | 0.647 | S | S | . | * | cis | -180 | 108.3 | -31.4 | 107.3 | 0 | 0 | 0 | 0 | 109.2 | T1563 V1564 | S865-T1563 CarbonylContact C-O 3.59Å; S865-T1563 WeakPolarHBondContact CA-O 3.48Å; S865-T1563 WeakPolarHBondContact CB-O 3.48Å; S865-T1563 PolarHBondContact OG-O 3.11Å; S865-V1564 CarbonylContact C-O 3.56Å; S865-V1564 VanDerWaalsContact C-O 3.32Å; S865-V1564 VanDerWaalsContact CA-C 3.41Å; S865-V1564 WeakPolarHBondContact CA-O 3.42Å; S865-V1564 PolarHBondContact N-O 3.05Å | ||
| 866 | T | 25.2 | Very low | 27.2 | Very low | 52 Ų | 52 | 124.3 Ų | 124.3 | 32% | 0.319 | 65% | 0.651 | S | S | . | * | trans | 34.5 | 135.8 | 168.8 | -40.8 | 0 | 0 | 0 | 0 | 121.1 | T1563 V1564 | T866-T1563 WeakPolarHBondContact CB-O 3.2Å; T866-T1563 PolarHBondContact N-O 2.82Å; T866-T1563 PolarHBondContact OG1-O 3.27Å; T866-V1564 PolarHBondContact N-O 3.31Å; T866-V1564 VanDerWaalsContact OG1-CB 3.23Å; T866-V1564 WeakPolarHBondContact OG1-CB 3.23Å; T866-V1564 WeakPolarHBondContact OG1-CG2 3.26Å | ||
| 867 | F | 26.6 | Very low | 27.5 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 80% | 0.803 | 64% | 0.638 | S | S | * | * | 172.6 | 117.1 | 112.2 | -101.9 | -93 | 0 | 0 | 0 | 107.1 | |||||
| 868 | S | 22.9 | Very low | 27.6 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | 39.4 | 94.3 | 87.1 | -153.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 869 | S | 24.6 | Very low | 27.6 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | 108.7 | 158.2 | 85.2 | 59.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 870 | F | 23.9 | Very low | 27.8 | Very low | 168 Ų | 168 | 118.4 Ų | 118.4 | 74% | 0.737 | 63% | 0.629 | S | S | * | * | trans | 66.8 | 145.4 | -169.4 | -54.3 | -89.1 | 0 | 0 | 0 | 111.9 | D872 | F870-D872 HydrophobicContact CD1-CB 3.9Š| ||
| 871 | V | 32.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 118.1 Ų | 118.1 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | cis | -120.3 | 118.2 | 20.4 | 165.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 872 | D | 27.2 | Very low | 27.9 | Very low | 63 Ų | 63 | 117 Ų | 117 | 34% | 0.337 | 63% | 0.628 | S | S | . | * | 64.3 | 108.2 | 59.9 | -160.7 | 26.4 | 0 | 0 | 0 | 109.7 | F870 N874 | F870-D872 HydrophobicContact CD1-CB 3.9Å; D872-N874 PolarHBondContact OD1-ND2 3.14Å | |||
| 873 | R | 29.6 | Very low | 28.5 | Very low | 200 Ų | 200 | 117.5 Ų | 117.5 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | -172.2 | 151 | 82.5 | -70.5 | -129.1 | 144.4 | 166.1 | 1.9 | 108.8 | |||||
| 874 | N | 27.6 | Very low | 28 | Very low | 119 Ų | 119 | 123 Ų | 123 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | 51.2 | 128.1 | 75.4 | -30.3 | -50 | 0 | 0 | 0 | 111.2 | D872 | D872-N874 PolarHBondContact OD1-ND2 3.14Š| |||
| 875 | S | 30.2 | Very low | 28.1 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | -148.8 | 178.6 | 56.5 | -114.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 876 | E | 32.9 | Very low | 28.2 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | cis | -138 | 145.6 | 16.2 | -127.9 | 125.7 | -122.2 | 0 | 0 | 111.6 | ||||
| 877 | V | 30.6 | Very low | 28.2 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 58% | 0.576 | 70% | 0.699 | S | S | * | * | cis | 75.9 | 130.6 | 29.4 | 162.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 878 | L | 27.4 | Very low | 28.1 | Very low | 119 Ų | 119 | 125 Ų | 125 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | cis | -165 | 165.7 | 6 | -149.1 | 56 | 0 | 0 | 0 | 113.2 | ||||
| 879 | E | 26 | Very low | 28.2 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | trans | 57.2 | 173 | 141.8 | -95.4 | 159.4 | -144.7 | 0 | 0 | 120.7 | ||||
| 880 | T | 28.1 | Very low | 28.1 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | cis | -143.8 | 176.5 | 5 | 1.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 881 | L | 27.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | cis | -159.8 | -174.6 | 2.2 | -138.9 | 179.6 | 0 | 0 | 0 | 108.5 | ||||
| 882 | T | 30.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 76.4 | 145.5 | 156.4 | 47.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 883 | P | 34.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -142.8 | -167.7 | -136.3 | 41.3 | -19.5 | 0 | 0 | 0 | 117.3 | ||||
| 884 | Q | 29.8 | Very low | 28.1 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | trans | 109 | 148.7 | 158.9 | -62 | -164.4 | -3.5 | 0 | 0 | 118.1 | ||||
| 885 | G | 27.9 | Very low | 28 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | trans | 118.8 | 118.8 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 886 | S | 25.7 | Very low | 28 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -118.6 | 167.6 | 170.1 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 887 | N | 25.1 | Very low | 27.8 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | 83.9 | 130.5 | 160 | -86.3 | -60 | 0 | 0 | 0 | 122.1 | ||||
| 888 | Q | 25.2 | Very low | 27.8 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | trans | 67.4 | 124.9 | 146.1 | -65.5 | -168.5 | 47.6 | 0 | 0 | 122.8 | ||||
| 889 | K | 24.9 | Very low | 27.9 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | 55.3 | 145.8 | 134.5 | -70.2 | 177.6 | 177.3 | 164.9 | 0 | 120.9 | ||||
| 890 | R | 23.4 | Very low | 28 | Very low | 231 Ų | 231 | 131.4 Ų | 131.4 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | 78.3 | 166.2 | 154.7 | -147.1 | -173.1 | -165.2 | -179.2 | 4.7 | 113.5 | ||||
| 891 | I | 31.5 | Very low | 27.9 | Very low | 138 Ų | 138 | 131 Ų | 131 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | 71.5 | 99.7 | 169.5 | -57.1 | 168.6 | 0 | 0 | 0 | 111.1 | ||||
| 892 | K | 28.4 | Very low | 28 | Very low | 180 Ų | 180 | 131 Ų | 131 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | 56.8 | 114.8 | 98.2 | -64.7 | -178.5 | 177.1 | -173.4 | 0 | 112.1 | |||||
| 893 | S | 24.4 | Very low | 28 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | 47.6 | 95.4 | 74.3 | 81.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 894 | S | 27 | Very low | 27.5 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | 82.8 | 137.6 | 100.2 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 895 | D | 27.3 | Very low | 27.3 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | 162.5 | 99.1 | 123.5 | -88.1 | 19.2 | 0 | 0 | 0 | 110.7 | K947 | D895-K947 IonicContact OD2-NZ 3.33Å; D895-K947 PolarHBondContact OD2-NZ 3.12Å | |||
| 896 | N | 28.8 | Very low | 27.1 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | -129.4 | 105.8 | 117 | -89.1 | -46.3 | 0 | 0 | 0 | 106.9 | |||||
| 897 | N | 30.2 | Very low | 27.2 | Very low | 76 Ų | 76 | 131 Ų | 131 | 41% | 0.406 | 70% | 0.697 | S | S | . | * | 74.2 | 121.5 | 67.4 | -66.9 | -34.3 | 0 | 0 | 0 | 110.7 | K947 | N897-K947 PolarHBondContact OD1-NZ 3.13Š| |||
| 898 | N | 29.5 | Very low | 27.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | cis | -142.1 | 174.7 | -4 | -62.1 | -64.9 | 0 | 0 | 0 | 106.9 | ||||
| 899 | L | 29.4 | Very low | 27.2 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | cis | -134 | 148.7 | 24.1 | -59 | 99.7 | 0 | 0 | 0 | 109.6 | ||||
| 900 | T | 28.2 | Very low | 27.2 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 55% | 0.552 | 70% | 0.696 | S | S | * | * | cis | 78.2 | 75.5 | 33.9 | 75.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 901 | S | 25.5 | Very low | 27.2 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | 40.6 | 134.1 | 119.7 | 64 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 902 | N | 30.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | -146.1 | 139.7 | 135.3 | -98.4 | 0.4 | 0 | 0 | 0 | 108.7 | ||||
| 903 | D | 30.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | 47.9 | 149.9 | 125.6 | -53.7 | -25.7 | 0 | 0 | 0 | 121.5 | |||||
| 904 | L | 24.1 | Very low | 26.7 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 71% | 0.707 | 69% | 0.693 | S | S | * | * | cis | -177.2 | 169.6 | -27.1 | -115.4 | 168.5 | 0 | 0 | 0 | 106.7 | ||||
| 905 | N | 26.6 | Very low | 26.5 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | trans | 65.4 | 112.4 | 156.8 | -62 | -22.3 | 0 | 0 | 0 | 121.9 | ||||
| 906 | S | 23.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | 79.3 | 163.8 | 119.6 | 75.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 907 | V | 26.9 | Very low | 26.6 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | trans | 69 | 95.3 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 908 | N | 24 | Very low | 26.7 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | 77.1 | 148 | 75.1 | -67.2 | 0.1 | 0 | 0 | 0 | 114.7 | |||||
| 909 | H | 25.8 | Very low | 26.6 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | trans | 84.1 | 127.7 | 151.3 | -71.3 | -54.2 | 0 | 0 | 0 | 121.9 | ||||
| 910 | L | 24.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | trans | 69.3 | 101.7 | 139.8 | -87.3 | 70.6 | 0 | 0 | 0 | 119.7 | ||||
| 911 | S | 23.7 | Very low | 26.6 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | 35.4 | 132.3 | 109 | 68 | 0 | 0 | 0 | 0 | 119.9 | M913 | S911-M913 PolarHBondContact O-N 3.15Š| |||
| 912 | S | 22.1 | Very low | 26.6 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -4.8 | 106.9 | 137.9 | 56.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 913 | M | 24.7 | Very low | 26.6 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | trans | -139.7 | 159.1 | 142.3 | -83.8 | -128.9 | 79 | 0 | 0 | 109.6 | S911 | S911-M913 PolarHBondContact O-N 3.15Š| ||
| 914 | S | 27.7 | Very low | 26.3 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -62.3 | 160.4 | -174.9 | 50.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 915 | C | 23.5 | Very low | 26.5 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -43.3 | 161.1 | 153.8 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 916 | P | 32.5 | Very low | 26.5 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | cis | -141.9 | 158 | 26.4 | 40.3 | -21 | 0 | 0 | 0 | 119.4 | ||||
| 917 | S | 25.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | trans | 32.6 | 111.3 | 138.3 | -48.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 918 | K | 30.8 | Very low | 26.8 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | 177.7 | 147.2 | 104.6 | -100.9 | 167.8 | 161.7 | -77.5 | 0 | 115.8 | |||||
| 919 | E | 29.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | 42.4 | 91.9 | 141.7 | -68.1 | 148.1 | 178 | 0 | 0 | 120.8 | ||||
| 920 | L | 26.2 | Very low | 27.4 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | 29.5 | 147.6 | 113.3 | -142.2 | 79 | 0 | 0 | 0 | 121.4 | |||||
| 921 | V | 30.4 | Very low | 27.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | trans | 94.2 | 87.5 | 162.1 | -166.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 922 | T | 25.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | 38.9 | 107.8 | 119.2 | -38.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 923 | A | 28.9 | Very low | 28.6 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -157.1 | 145.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 924 | S | 26.1 | Very low | 29 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -102.3 | 169.7 | -173.4 | -31.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 925 | N | 27.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | 69.5 | 157.1 | 148.8 | -68.2 | 28.5 | 0 | 0 | 0 | 118 | ||||
| 926 | E | 26.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | cis | -161.1 | 169.6 | -16.7 | -115.8 | 177.1 | 139.7 | 0 | 0 | 113 | ||||
| 927 | L | 27 | Very low | 29.3 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | trans | 9.3 | 138.6 | 145.7 | -59.8 | 166.6 | 0 | 0 | 0 | 120.8 | ||||
| 928 | I | 30.9 | Very low | 29.5 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | -142.8 | 111.6 | 129.7 | -35.1 | 174.5 | 0 | 0 | 0 | 112.2 | R930 | I928-R930 HydrophobicContact CG2-CG 4.44Š| |||
| 929 | R | 30.7 | Very low | 29.6 | Very low | 229 Ų | 229 | 142.1 Ų | 142.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | 160.5 | 104.9 | 124.1 | -84 | 175.5 | -167.5 | -168.1 | 2.6 | 109.5 | |||||
| 930 | R | 31.4 | Very low | 29.8 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | 83.9 | 134.5 | 54.4 | -75 | -158.9 | -178.7 | 131.3 | 8.8 | 113 | I928 | I928-R930 HydrophobicContact CG2-CG 4.44Š| |||
| 931 | D | 33.9 | Very low | 29.9 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | cis | -131.2 | -160.1 | -7.2 | -74.1 | -50 | 0 | 0 | 0 | 107.6 | ||||
| 932 | D | 30.6 | Very low | 30 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | cis | -164.4 | 147.9 | 12 | -153.6 | 18.3 | 0 | 0 | 0 | 111.7 | ||||
| 933 | K | 30.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | trans | 69.2 | 128.7 | 144 | -83.2 | -179.5 | -167.1 | 72.9 | 0 | 128.4 | ||||
| 934 | D | 32.8 | Very low | 30.4 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | trans | 99.4 | 115 | 131 | -58.7 | -16.1 | 0 | 0 | 0 | 123.9 | ||||
| 935 | E | 30.7 | Very low | 30.6 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 43.1 | 123.6 | 146.6 | -57.4 | 178.6 | 159.6 | 0 | 0 | 120.2 | ||||
| 936 | E | 28 | Very low | 30.7 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | cis | 91.5 | 154.5 | 48.2 | -72.7 | -151.5 | 132.1 | 0 | 0 | 115.8 | ||||
| 937 | D | 31.4 | Very low | 30.9 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | 56.7 | 110.3 | -174.5 | -76.7 | -21.5 | 0 | 0 | 0 | 119.1 | ||||
| 938 | A | 30.3 | Very low | 31.1 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | 85.4 | 131 | 66.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 939 | T | 32.5 | Very low | 30.9 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | -163.7 | 178.4 | 55.5 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 940 | A | 32.9 | Very low | 31 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 78 | 88.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 941 | S | 28.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -36.1 | 152.8 | 150.9 | -48.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 942 | T | 32.7 | Very low | 31 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | -171.1 | 158.3 | 68.2 | 37.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 943 | N | 31.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | 73.4 | 96.6 | 149.9 | -74.1 | -44.2 | 0 | 0 | 0 | 122.7 | ||||
| 944 | K | 31.1 | Very low | 30.9 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 78.6 | 107 | 118.2 | -71.2 | 180 | -178.8 | -179.7 | 0 | 122.2 | |||||
| 945 | L | 30.4 | Very low | 30.8 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | 76.5 | 105.1 | 118.9 | -70.2 | 166.2 | 0 | 0 | 0 | 122 | |||||
| 946 | A | 28.6 | Very low | 30.8 | Very low | 88 Ų | 88 | 144.7 Ų | 144.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 108.6 | 151.8 | 107 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 947 | K | 31 | Very low | 30.8 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 57% | 0.574 | 77% | 0.765 | S | S | * | * | trans | 58.5 | 107.5 | 175.7 | -68.3 | -171.8 | 177.3 | 176.9 | 0 | 117.5 | D895 N897 | D895-K947 IonicContact OD2-NZ 3.33Å; D895-K947 PolarHBondContact OD2-NZ 3.12Å; N897-K947 PolarHBondContact OD1-NZ 3.13Å | ||
| 948 | K | 32.3 | Very low | 30.7 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 75% | 0.749 | S | S | * | * | trans | -72 | 154.2 | 175.5 | -66.8 | 173.7 | 179.3 | 169.9 | 0 | 112.4 | ||||
| 949 | A | 27 | Very low | 30.7 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -127 | 171.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 950 | R | 32.2 | Very low | 30.4 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | trans | 75 | 155.4 | 180 | -53.6 | 172.6 | 169.6 | 163.9 | -3.6 | 113.5 | ||||
| 951 | K | 34.5 | Very low | 30.3 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -149.7 | 135.7 | 10.5 | -145.7 | 168 | -158 | -141.7 | 0 | 112.4 | E953 | K951-E953 WeakPolarHBondContact CE-OE2 3.31Å; K951-E953 IonicContact NZ-OE2 2.7Å; K951-E953 PolarHBondContact NZ-OE2 3.43Å | ||
| 952 | S | 29.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -98.7 | 135.4 | 150.5 | 47.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 953 | E | 29.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 175.4 | 127.3 | 166.1 | -110 | 163.4 | -166.4 | 0 | 0 | 111.8 | K951 | K951-E953 WeakPolarHBondContact CE-OE2 3.31Å; K951-E953 IonicContact NZ-OE2 2.7Å; K951-E953 PolarHBondContact NZ-OE2 3.43Å | ||
| 954 | K | 30.6 | Very low | 30 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | -177.9 | 123.7 | 128.1 | -104.2 | 170.2 | -176.8 | 174 | 0 | 112 | |||||
| 955 | K | 30.8 | Very low | 29.8 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 68.1 | 149.6 | 146.2 | -65.6 | -167.5 | 165.8 | -154.5 | 0 | 118.8 | ||||
| 956 | Q | 30.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | cis | -154.2 | 164.1 | -27.8 | -127.7 | 164.2 | -35 | 0 | 0 | 110.5 | ||||
| 957 | Q | 28.6 | Very low | 30 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -96.8 | 172.5 | -175.4 | -96.2 | -180 | -30.1 | 0 | 0 | 111.4 | ||||
| 958 | S | 27.7 | Very low | 30 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 49% | 0.49 | 74% | 0.74 | S | S | . | * | cis | -178.1 | -177 | -3.8 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 959 | H | 31.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | 88.2 | 147 | 152 | -60.2 | -38.7 | 0 | 0 | 0 | 118.9 | ||||
| 960 | S | 26.7 | Very low | 30 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -145.7 | 172.6 | 7.4 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 961 | N | 30.9 | Very low | 29.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | 72.7 | 151.3 | 162.7 | -55.9 | -21.6 | 0 | 0 | 0 | 117.2 | ||||
| 962 | N | 29.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | cis | -166.1 | 152.6 | -20.9 | -111.8 | -15.5 | 0 | 0 | 0 | 112 | ||||
| 963 | I | 28.2 | Very low | 29.2 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | 67.4 | 132.2 | 138.3 | -66 | 169.2 | 0 | 0 | 0 | 121.4 | ||||
| 964 | L | 28.9 | Very low | 29.2 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 62.9 | 126.9 | 157.2 | -76.6 | 164 | 0 | 0 | 0 | 122.9 | ||||
| 965 | N | 27.3 | Very low | 28.9 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -80.3 | 159.9 | 149.4 | -145.7 | 4.6 | 0 | 0 | 0 | 108 | ||||
| 966 | P | 35.7 | Very low | 28.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | -154.4 | 173 | 68.2 | 42.7 | -22.6 | 0 | 0 | 0 | 118.3 | |||||
| 967 | N | 26.5 | Very low | 28.9 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 57.4 | 103.6 | 149.8 | -61.6 | -2.1 | 0 | 0 | 0 | 120.6 | ||||
| 968 | N | 31.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | -153.8 | 113.6 | 89.9 | -103.6 | -13.2 | 0 | 0 | 0 | 113.2 | |||||
| 969 | N | 30.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 75% | 0.752 | S | S | * | * | trans | 56.6 | 98.6 | 131.2 | -64.2 | 6.3 | 0 | 0 | 0 | 121.5 | ||||
| 970 | T | 28 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | 52.9 | 138.3 | 107.1 | 60.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 971 | T | 29.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | cis | -159.8 | 150.1 | 3.9 | 5.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 972 | A | 24.8 | Very low | 29.6 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -0.4 | 148.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 973 | S | 25.1 | Very low | 29.8 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -173.2 | -179.3 | 10.3 | 53.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 974 | K | 29.6 | Very low | 30.3 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 87.7 | 133.5 | 154.3 | -69.7 | 164.5 | -173.4 | 175.2 | 0 | 118.1 | ||||
| 975 | S | 25.8 | Very low | 31 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -111.2 | 151.1 | -177.2 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 976 | S | 26.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -150.1 | 156.1 | 142.7 | -93.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 977 | P | 33.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -117.1 | 139.2 | -155.3 | 37.7 | -25.9 | 0 | 0 | 0 | 115.8 | ||||
| 978 | T | 33.2 | Very low | 36 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -104 | 107.7 | 173.2 | 32.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 979 | R | 33.1 | Very low | 38.4 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | 39.9 | 88.5 | 142.4 | -158.1 | 175.4 | -164.6 | 169 | 4.2 | 117.6 | K981 | R979-K981 PolarHBondContact O-N 2.77Š| ||
| 980 | A | 27.3 | Very low | 41.2 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -58.5 | 108.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K982 | A980-K982 PolarHBondContact O-N 3.2Š| ||
| 981 | K | 35.8 | Very low | 44.2 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 72% | 0.72 | S | S | * | * | trans | -61.8 | 129 | 161.5 | -71.9 | 177.5 | 178.8 | 173.3 | 0 | 107.8 | R979 R983 | R979-K981 PolarHBondContact O-N 2.77Å; K981-R983 VanDerWaalsContact C-N 3.35Å; K981-R983 PolarHBondContact O-N 3.1Å | ||
| 982 | K | 31.2 | Very low | 46.9 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | trans | -62 | 95.5 | 169.4 | -78.9 | -174.3 | 176.2 | -178.9 | 0 | 108.9 | A980 K984 | A980-K982 PolarHBondContact O-N 3.2Å; K982-K984 PolarHBondContact O-N 3.25Å | ||
| 983 | R | 34.2 | Very low | 49.8 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.909 | 70% | 0.702 | S | S | * | * | trans | -57.8 | 108.5 | 160 | -98 | -178.6 | 163.2 | 168.2 | -5.6 | 106.4 | K981 T985 | K981-R983 VanDerWaalsContact C-N 3.35Å; K981-R983 PolarHBondContact O-N 3.1Å; R983-T985 PolarHBondContact O-N 3.28Å | ||
| 984 | K | 38.5 | Very low | 52.8 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | trans | -57 | 120.9 | 153.3 | -75.7 | -170.4 | 174.5 | -170.2 | 0 | 105.2 | K982 A986 | K982-K984 PolarHBondContact O-N 3.25Å; K984-A986 PolarHBondContact O-N 2.94Å; K984-A986 VanDerWaalsContact O-N 3.1Å | ||
| 985 | T | 42.2 | Very low | 55.7 | Low | 135 Ų | 135 | 124.7 Ų | 124.7 | 83% | 0.828 | 64% | 0.639 | S | S | * | * | trans | -58.3 | 114.6 | 165.2 | 42 | 0 | 0 | 0 | 0 | 106.6 | R983 K987 | R983-T985 PolarHBondContact O-N 3.28Å; T985-K987 PolarHBondContact O-N 3.36Å | ||
| 986 | A | 56.9 | Low | 58.5 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | K984 K988 | K984-A986 PolarHBondContact O-N 2.94Å; K984-A986 VanDerWaalsContact O-N 3.1Å; A986-K988 PolarHBondContact O-N 2.74Å |
| 987 | K | 63.8 | Low | 60.7 | Low | 153 Ų | 153 | 118.8 Ų | 118.8 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132 | 168.9 | -167.8 | -157 | 176.8 | -146.1 | 0 | 106.4 | T985 L989 D993 | T985-K987 PolarHBondContact O-N 3.36Å; K987-L989 PolarHBondContact O-N 2.98Å; K987-D993 IonicContact NZ-OD1 2.69Å; K987-D993 PolarHBondContact NZ-OD1 3.31Å; K987-D993 IonicContact NZ-OD2 2.68Å; K987-D993 PolarHBondContact NZ-OD2 3.14Å |
| 988 | K | 75 | Confident | 62.2 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 137.2 | 169 | -176.6 | 179.9 | 164.7 | -64.8 | 0 | 107.1 | E461 A986 E990 | E461-K988 VanDerWaalsContact OE2-CE 3.23Å; E461-K988 WeakPolarHBondContact OE2-CE 3.13Å; E461-K988 IonicContact OE2-NZ 2.81Å; E461-K988 PolarHBondContact OE2-NZ 3.15Å; A986-K988 PolarHBondContact O-N 2.74Å; K988-E990 WeakPolarHBondContact CB-OE1 3.35Å; K988-E990 WeakPolarHBondContact CD-OE1 3.42Å; K988-E990 WeakPolarHBondContact CG-OE1 3.4Å; K988-E990 IonicContact NZ-OE1 2.99Å; K988-E990 PolarHBondContact NZ-OE1 3.12Å; K988-E990 IonicContact NZ-OE2 2.63Å; K988-E990 PolarHBondContact NZ-OE2 3.5Å |
| 989 | L | 82.6 | Confident | 63.4 | Low | 39 Ų | 39 | 116.7 Ų | 116.7 | 20% | 0.204 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -77.2 | 130.3 | 175.3 | -162.5 | 67.8 | 0 | 0 | 0 | 107 | C453 P462 P464 K987 D993 V994 | C453-L989 HydrophobicContact CB-CD2 4.34Å; P462-L989 HydrophobicContact CB-CD2 4.25Å; P462-L989 HydrophobicContact CB-CG 4.44Å; P462-L989 HydrophobicContact CG-CB 4.29Å; P462-L989 HydrophobicContact CG-CG 4.32Å; P462-L989 VanDerWaalsContact CG-O 3.23Å; P462-L989 WeakPolarHBondContact CG-O 3.18Å; P464-L989 HydrophobicContact CB-CD2 4.14Å; P464-L989 HydrophobicContact CG-CB 4.23Å; P464-L989 HydrophobicContact CG-CD2 3.96Å; K987-L989 PolarHBondContact O-N 2.98Å; L989-D993 HydrophobicContact CD1-CB 3.79Å; L989-V994 HydrophobicContact CD1-CG2 4.01Å; L989-V994 HydrophobicContact CD2-CG2 3.63Å; L989-V994 HydrophobicContact CG-CG2 3.66Å |
| 990 | E | 89.2 | Confident | 64.3 | Low | 65 Ų | 65 | 109 Ų | 109 | 30% | 0.304 | 56% | 0.562 | S | S | . | * | trans | -114.8 | 158.8 | 174.8 | -53.3 | -55.2 | 149.6 | 0 | 0 | 109.2 | K988 E992 D993 | K988-E990 WeakPolarHBondContact CB-OE1 3.35Å; K988-E990 WeakPolarHBondContact CD-OE1 3.42Å; K988-E990 WeakPolarHBondContact CG-OE1 3.4Å; K988-E990 IonicContact NZ-OE1 2.99Å; K988-E990 PolarHBondContact NZ-OE1 3.12Å; K988-E990 IonicContact NZ-OE2 2.63Å; K988-E990 PolarHBondContact NZ-OE2 3.5Å; E990-E992 PolarHBondContact O-N 2.92Å; E990-D993 PolarHBondContact N-OD2 2.76Å; E990-D993 WeakPolarHBondContact O-CB 3.44Å; E990-D993 PolarHBondContact O-N 2.87Å | ||
| 991 | W | 89.5 | Confident | 66.2 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 23% | 0.231 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -59.3 | -32.3 | -176 | -76.8 | 117.2 | 0 | 0 | 0 | 112.8 | F366 H370 P460 P462 D993 V994 I995 | F366-W991 AromaticContact CE2-CH2 3.97Å; F366-W991 HydrophobicContact CE2-CH2 3.97Å; F366-W991 AromaticContact CZ-CH2 3.76Å; F366-W991 HydrophobicContact CZ-CH2 3.76Å; F366-W991 AromaticContact CZ-CZ3 3.92Å; F366-W991 HydrophobicContact CZ-CZ3 3.92Å; H370-W991 AromaticContact CE1-CE2 3.53Å; H370-W991 AromaticContact CE1-CH2 3.61Å; H370-W991 AromaticContact CE1-CZ2 3.23Å; H370-W991 WeakPolarHBondContact CE1-CZ2 3.45Å; H370-W991 AromaticContact NE2-CH2 3.45Å; H370-W991 WeakPolarHBondContact NE2-CH2 3.28Å; H370-W991 AromaticContact NE2-CZ2 3.52Å; P460-W991 PolarHBondContact O-NE1 3.28Å; P462-W991 HydrophobicContact CB-CD2 3.91Å; P462-W991 HydrophobicContact CB-CE3 3.82Å; P462-W991 HydrophobicContact CB-CH2 3.83Å; P462-W991 HydrophobicContact CB-CZ2 3.9Å; P462-W991 HydrophobicContact CB-CZ3 3.79Å; P462-W991 HydrophobicContact CG-CD2 4.16Å; P462-W991 HydrophobicContact CG-CE3 4.5Å; P462-W991 HydrophobicContact CG-CG 4.43Å; W991-D993 VanDerWaalsContact C-N 3.3Å; W991-D993 PolarHBondContact O-N 2.83Å; W991-V994 HydrophobicContact CE3-CB 4.42Å; W991-V994 HydrophobicContact CZ3-CG1 4.44Å; W991-V994 CarbonylContact O-C 3.59Å; W991-V994 PolarHBondContact O-N 2.81Å; W991-I995 HydrophobicContact CD2-CD1 4.37Å; W991-I995 HydrophobicContact CE3-CD1 3.58Å; W991-I995 HydrophobicContact CE3-CG1 4.14Å; W991-I995 HydrophobicContact CZ3-CD1 4.05Å; W991-I995 PolarHBondContact O-N 3.24Å |
| 992 | E | 87.4 | Confident | 67.9 | Low | 171 Ų | 171 | 97.8 Ų | 97.8 | 80% | 0.799 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -33.2 | 172.7 | -62 | 157.3 | -149.4 | 0 | 0 | 113.7 | E990 V994 | E990-E992 PolarHBondContact O-N 2.92Å; E992-V994 PolarHBondContact O-N 2.97Å |
| 993 | D | 85.4 | Confident | 70 | Confident | 58 Ų | 58 | 92 Ų | 92 | 31% | 0.31 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.8 | -19.1 | 175.3 | -70 | -53.5 | 0 | 0 | 0 | 111.3 | K449 K987 L989 E990 W991 | K449-D993 VanDerWaalsContact CD-O 3.24Å; K449-D993 WeakPolarHBondContact CD-O 3.42Å; K449-D993 PolarHBondContact NZ-O 3.2Å; K987-D993 IonicContact NZ-OD1 2.69Å; K987-D993 PolarHBondContact NZ-OD1 3.31Å; K987-D993 IonicContact NZ-OD2 2.68Å; K987-D993 PolarHBondContact NZ-OD2 3.14Å; L989-D993 HydrophobicContact CD1-CB 3.79Å; E990-D993 PolarHBondContact N-OD2 2.76Å; E990-D993 WeakPolarHBondContact O-CB 3.44Å; E990-D993 PolarHBondContact O-N 2.87Å; W991-D993 VanDerWaalsContact C-N 3.3Å; W991-D993 PolarHBondContact O-N 2.83Å |
| 994 | V | 87.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -113.5 | -45 | -167 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | F448 K449 C453 P462 L989 W991 E992 | F448-V994 HydrophobicContact CD2-CG1 3.86Å; F448-V994 HydrophobicContact CE2-CG1 3.59Å; K449-V994 WeakPolarHBondContact CB-O 3.41Å; K449-V994 WeakPolarHBondContact CD-O 3.45Å; K449-V994 VanDerWaalsContact CG-O 3.25Å; K449-V994 WeakPolarHBondContact CG-O 3.35Å; K449-V994 PolarHBondContact N-O 3.22Å; C453-V994 HydrophobicContact CB-CB 4.45Å; C453-V994 HydrophobicContact CB-CG1 3.49Å; C453-V994 VanDerWaalsContact CB-CG1 3.49Å; C453-V994 HydrophobicContact CB-CG2 4.04Å; P462-V994 HydrophobicContact CB-CG2 4.22Å; L989-V994 HydrophobicContact CD1-CG2 4.01Å; L989-V994 HydrophobicContact CD2-CG2 3.63Å; L989-V994 HydrophobicContact CG-CG2 3.66Å; W991-V994 HydrophobicContact CE3-CB 4.42Å; W991-V994 HydrophobicContact CZ3-CG1 4.44Å; W991-V994 CarbonylContact O-C 3.59Å; W991-V994 PolarHBondContact O-N 2.81Å; E992-V994 PolarHBondContact O-N 2.97Å |
| 995 | I | 90 | Very high | 74.6 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.205 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -105.2 | 127.4 | -179.6 | -62.3 | 168.8 | 0 | 0 | 0 | 108.1 | H370 F443 D447 F448 W991 | H370-I995 HydrophobicContact CB-CD1 4.05Å; F443-I995 HydrophobicContact CE2-CD1 3.98Å; F443-I995 HydrophobicContact CE2-CG1 4.07Å; F443-I995 HydrophobicContact CE2-CG2 4.02Å; F443-I995 HydrophobicContact CZ-CD1 4.09Å; F443-I995 HydrophobicContact CZ-CG1 4.29Å; D447-I995 CarbonylContact O-C 3.55Å; D447-I995 WeakPolarHBondContact O-CA 3.47Å; F448-I995 HydrophobicContact CD2-CG1 3.99Å; W991-I995 HydrophobicContact CD2-CD1 4.37Å; W991-I995 HydrophobicContact CE3-CD1 3.58Å; W991-I995 HydrophobicContact CE3-CG1 4.14Å; W991-I995 HydrophobicContact CZ3-CD1 4.05Å; W991-I995 PolarHBondContact O-N 3.24Å |
| 996 | S | 85.1 | Confident | 76.6 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 28% | 0.28 | 41% | 0.414 | S | S | . | . | trans | -98.6 | 123.2 | -175.7 | -41.8 | 0 | 0 | 0 | 0 | 109.6 | D447 K449 | D447-S996 WeakPolarHBondContact CB-O 3.42Å; D447-S996 WeakPolarHBondContact O-CB 3.37Å; D447-S996 PolarHBondContact O-N 2.75Å; D447-S996 PolarHBondContact O-OG 2.91Å; K449-S996 VanDerWaalsContact CE-OG 3.3Å; K449-S996 WeakPolarHBondContact CE-OG 3.14Å | ||
| 997 | S | 72.3 | Confident | 77.7 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | trans | -72.6 | 142.9 | -177.6 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | S999 A1000 | S997-S999 PolarHBondContact O-N 3.29Å; S997-S999 VanDerWaalsContact O-N 3.13Å; S997-S999 PolarHBondContact OG-OG 3.42Å; S997-A1000 WeakPolarHBondContact O-CB 3.2Å; S997-A1000 PolarHBondContact O-N 3.11Å | ||
| 998 | R | 65.9 | Low | 78.3 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -60.9 | -24.3 | 179.1 | -164 | 175.6 | -176.5 | -178.7 | 2.9 | 112.6 | L83 P84 A1000 V1001 | L83-R998 PolarHBondContact O-NH2 3.21Å; P84-R998 PolarHBondContact O-NH2 3.09Å; R998-A1000 PolarHBondContact O-N 3.3Å; R998-V1001 WeakPolarHBondContact O-CB 3.39Å; R998-V1001 WeakPolarHBondContact O-CG2 3.32Å; R998-V1001 PolarHBondContact O-N 2.89Å |
| 999 | S | 57.5 | Low | 78.1 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 76% | 0.762 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -68.9 | -9.4 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 115.3 | S997 V1001 | S997-S999 PolarHBondContact O-N 3.29Å; S997-S999 VanDerWaalsContact O-N 3.13Å; S997-S999 PolarHBondContact OG-OG 3.42Å; S999-V1001 VanDerWaalsContact C-N 3.29Å |
| 1000 | A | 53.9 | Low | 77.4 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -77.7 | -14.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S997 R998 | S997-A1000 WeakPolarHBondContact O-CB 3.2Å; S997-A1000 PolarHBondContact O-N 3.11Å; R998-A1000 PolarHBondContact O-N 3.3Å |
| 1001 | V | 65.7 | Low | 76.6 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -85.2 | 137.6 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | Y82 R998 S999 | Y82-V1001 HydrophobicContact CD1-CG1 3.38Å; Y82-V1001 HydrophobicContact CE1-CG1 3.76Å; Y82-V1001 HydrophobicContact CG-CG1 4.45Å; R998-V1001 WeakPolarHBondContact O-CB 3.39Å; R998-V1001 WeakPolarHBondContact O-CG2 3.32Å; R998-V1001 PolarHBondContact O-N 2.89Å; S999-V1001 VanDerWaalsContact C-N 3.29Å |
| 1002 | A | 72 | Confident | 76.3 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 142.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V527 V528 | V527-A1002 HydrophobicContact CB-CB 4.29Å; V528-A1002 WeakPolarHBondContact O-CB 3.37Å |
| 1003 | P | 75.7 | Confident | 76.2 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -69 | 145 | 177.3 | 29.8 | -34.7 | 0 | 0 | 0 | 111 | ||
| 1004 | P | 83 | Confident | 76.3 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 150.9 | 173.1 | 30.6 | -35.4 | 0 | 0 | 0 | 111.1 | P84 I525 S526 Y1013 | P84-P1004 HydrophobicContact CB-CG 3.97Å; P84-P1004 HydrophobicContact CG-CG 4.02Å; I525-P1004 HydrophobicContact CG2-CB 3.73Å; S526-P1004 CarbonylContact O-C 3.38Å; S526-P1004 VanDerWaalsContact O-CA 3.32Å; S526-P1004 WeakPolarHBondContact O-CA 3.39Å; P1004-Y1013 HydrophobicContact CB-CD1 4.09Å; P1004-Y1013 HydrophobicContact CB-CE1 4.35Å; P1004-Y1013 HydrophobicContact CG-CD1 4.33Å; P1004-Y1013 HydrophobicContact CG-CE1 4.1Å |
| 1005 | I | 85.1 | Confident | 76.4 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.3 | 174.5 | -56.1 | 172.7 | 0 | 0 | 0 | 107.7 | S526 V528 | S526-I1005 PolarHBondContact O-N 3.12Å; V528-I1005 HydrophobicContact CG2-CD1 3.84Å; V528-I1005 HydrophobicContact CG2-CG1 3.75Å |
| 1006 | D | 84.3 | Confident | 76.2 | Confident | 86 Ų | 86 | 65 Ų | 65 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 137.4 | 171.2 | -84 | -32.2 | 0 | 0 | 0 | 111.2 | Y1013 S1015 | D1006-Y1013 WeakPolarHBondContact OD1-CE1 3.48Å; D1006-S1015 VanDerWaalsContact OD1-CB 3.23Å; D1006-S1015 WeakPolarHBondContact OD1-CB 3.5Å; D1006-S1015 PolarHBondContact OD1-N 3.02Å; D1006-S1015 PolarHBondContact OD1-OG 2.82Å; D1006-S1015 WeakPolarHBondContact OD2-CB 3.42Å; D1006-S1015 PolarHBondContact OD2-OG 3.01Å |
| 1007 | D | 80.9 | Confident | 76.3 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | trans | -143.1 | 128.8 | -171.6 | -167.5 | -28.4 | 0 | 0 | 0 | 110.1 | R1009 Y1012 Y1013 N1014 | D1007-R1009 VanDerWaalsContact C-N 3.29Å; D1007-R1009 VanDerWaalsContact CG-NE 3.33Å; D1007-R1009 PolarHBondContact O-N 3.43Å; D1007-R1009 VanDerWaalsContact OD1-CB 3.24Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CG 3.38Å; D1007-R1009 IonicContact OD1-CZ 3.97Å; D1007-R1009 PolarHBondContact OD1-N 2.99Å; D1007-R1009 IonicContact OD1-NE 2.8Å; D1007-R1009 PolarHBondContact OD1-NE 3.37Å; D1007-R1009 IonicContact OD2-CZ 3.77Å; D1007-R1009 IonicContact OD2-NE 2.6Å; D1007-R1009 PolarHBondContact OD2-NE 3.06Å; D1007-R1009 IonicContact OD2-NH2 2.92Å; D1007-R1009 PolarHBondContact OD2-NH2 3.39Å; D1007-Y1012 HydrophobicContact CB-CG 4.4Å; D1007-Y1012 WeakPolarHBondContact OD2-CD1 3.33Å; D1007-Y1013 PolarHBondContact N-O 2.77Å; D1007-N1014 WeakPolarHBondContact O-CB 3.28Å; D1007-N1014 PolarHBondContact O-ND2 3.3Å | ||
| 1008 | D | 77 | Confident | 77 | Confident | 153 Ų | 153 | 63.8 Ų | 63.8 | 82% | 0.818 | 35% | 0.351 | S | S | * | . | trans | -85 | 2.5 | -178 | -70.4 | -36.5 | 0 | 0 | 0 | 113.3 | N1014 | D1008-N1014 PolarHBondContact OD1-ND2 3.06Š| ||
| 1009 | R | 69.9 | Low | 78 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -79.9 | 147.3 | -179.4 | -64.3 | 175.9 | -64.1 | 174.6 | 14.6 | 112.2 | S656 D1007 Y1012 | S656-R1009 PolarHBondContact O-NH1 2.85Å; S656-R1009 PolarHBondContact OG-NH1 3.1Å; D1007-R1009 VanDerWaalsContact C-N 3.29Å; D1007-R1009 VanDerWaalsContact CG-NE 3.33Å; D1007-R1009 PolarHBondContact O-N 3.43Å; D1007-R1009 VanDerWaalsContact OD1-CB 3.24Å; D1007-R1009 WeakPolarHBondContact OD1-CB 3.39Å; D1007-R1009 WeakPolarHBondContact OD1-CG 3.38Å; D1007-R1009 IonicContact OD1-CZ 3.97Å; D1007-R1009 PolarHBondContact OD1-N 2.99Å; D1007-R1009 IonicContact OD1-NE 2.8Å; D1007-R1009 PolarHBondContact OD1-NE 3.37Å; D1007-R1009 IonicContact OD2-CZ 3.77Å; D1007-R1009 IonicContact OD2-NE 2.6Å; D1007-R1009 PolarHBondContact OD2-NE 3.06Å; D1007-R1009 IonicContact OD2-NH2 2.92Å; D1007-R1009 PolarHBondContact OD2-NH2 3.39Å; R1009-Y1012 HydrophobicContact CB-CD2 3.77Å; R1009-Y1012 HydrophobicContact CB-CE2 4.36Å; R1009-Y1012 HydrophobicContact CB-CG 4.44Å; R1009-Y1012 PolarHBondContact O-N 2.91Å |
| 1010 | P | 67.6 | Low | 79.5 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 31% | 0.312 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 147.5 | 175.5 | -18.3 | 29.8 | 0 | 0 | 0 | 112 | L588 Y648 Y1012 | L588-P1010 HydrophobicContact CD2-CB 4.06Å; L588-P1010 HydrophobicContact CD2-CG 4.49Å; Y648-P1010 HydrophobicContact CE1-CG 3.72Å; P1010-Y1012 WeakPolarHBondContact O-CD2 3.5Å; P1010-Y1012 PolarHBondContact O-N 3.12Å |
| 1011 | D | 72.8 | Confident | 81.2 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 2.1 | -175.1 | -48.1 | -35.1 | 0 | 0 | 0 | 115.8 | F522 T523 H524 R1053 | F522-D1011 CarbonylContact C-O 3.59Å; F522-D1011 WeakPolarHBondContact CA-O 3.3Å; T523-D1011 PolarHBondContact N-O 3Å; H524-D1011 PolarHBondContact N-O 2.9Å; D1011-R1053 VanDerWaalsContact OD2-CD 3.26Å; D1011-R1053 WeakPolarHBondContact OD2-CD 3.16Å; D1011-R1053 IonicContact OD2-CZ 2.99Å; D1011-R1053 IonicContact OD2-NE 2.72Å; D1011-R1053 IonicContact OD2-NH1 2.83Å; D1011-R1053 PolarHBondContact OD2-NH1 3.37Å |
| 1012 | Y | 82.4 | Confident | 82.5 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 157.9 | 173.9 | -72 | -98.6 | 0 | 0 | 0 | 112.8 | F522 H524 D1007 R1009 P1010 | F522-Y1012 VanDerWaalsContact CB-C 3.44Å; F522-Y1012 WeakPolarHBondContact CB-O 3.38Å; H524-Y1012 HydrophobicContact CB-CD1 3.7Å; H524-Y1012 HydrophobicContact CB-CE1 3.66Å; H524-Y1012 HydrophobicContact CB-CG 4.16Å; D1007-Y1012 HydrophobicContact CB-CG 4.4Å; D1007-Y1012 WeakPolarHBondContact OD2-CD1 3.33Å; R1009-Y1012 HydrophobicContact CB-CD2 3.77Å; R1009-Y1012 HydrophobicContact CB-CE2 4.36Å; R1009-Y1012 HydrophobicContact CB-CG 4.44Å; R1009-Y1012 PolarHBondContact O-N 2.91Å; P1010-Y1012 WeakPolarHBondContact O-CD2 3.5Å; P1010-Y1012 PolarHBondContact O-N 3.12Å |
| 1013 | Y | 85.9 | Confident | 83.5 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | trans | -66.4 | 130.6 | 179.7 | 173.7 | -94.7 | 0 | 0 | 0 | 112.9 | P84 F522 H524 P1004 D1006 D1007 L1018 | P84-Y1013 HydrophobicContact CB-CE2 4.25Å; P84-Y1013 HydrophobicContact CG-CD2 3.75Å; P84-Y1013 HydrophobicContact CG-CE1 4.45Å; P84-Y1013 HydrophobicContact CG-CE2 3.28Å; P84-Y1013 HydrophobicContact CG-CG 4.5Å; F522-Y1013 HydrophobicContact CD1-CD2 4.09Å; F522-Y1013 AromaticContact CE1-CD2 3.73Å; F522-Y1013 HydrophobicContact CE1-CD2 3.73Å; F522-Y1013 HydrophobicContact CE1-CE2 4.37Å; F522-Y1013 HydrophobicContact CE2-CD2 4.38Å; F522-Y1013 AromaticContact CZ-CD2 3.9Å; F522-Y1013 HydrophobicContact CZ-CD2 3.9Å; H524-Y1013 PolarHBondContact O-N 2.8Å; P1004-Y1013 HydrophobicContact CB-CD1 4.09Å; P1004-Y1013 HydrophobicContact CB-CE1 4.35Å; P1004-Y1013 HydrophobicContact CG-CD1 4.33Å; P1004-Y1013 HydrophobicContact CG-CE1 4.1Å; D1006-Y1013 WeakPolarHBondContact OD1-CE1 3.48Å; D1007-Y1013 PolarHBondContact N-O 2.77Å; Y1013-L1018 HydrophobicContact CD2-CD1 3.89Å; Y1013-L1018 HydrophobicContact CE2-CD1 3.34Å | ||
| 1014 | N | 87.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | trans | -142.1 | 105.9 | 178.6 | -164.6 | -75.6 | 0 | 0 | 0 | 110.7 | D1007 D1008 K1016 L1017 L1018 | D1007-N1014 WeakPolarHBondContact O-CB 3.28Å; D1007-N1014 PolarHBondContact O-ND2 3.3Å; D1008-N1014 PolarHBondContact OD1-ND2 3.06Å; N1014-K1016 VanDerWaalsContact C-N 3.31Å; N1014-K1016 PolarHBondContact O-N 3.28Å; N1014-K1016 PolarHBondContact OD1-N 2.91Å; N1014-L1017 HydrophobicContact CB-CB 4.02Å; N1014-L1017 PolarHBondContact O-N 3.17Å; N1014-L1017 PolarHBondContact OD1-N 2.86Å; N1014-L1018 WeakPolarHBondContact O-CG 3.32Å; N1014-L1018 PolarHBondContact O-N 3.04Å | ||
| 1015 | S | 88.8 | Confident | 84.6 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.9 | -44.5 | -179.3 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | D1006 L1017 L1018 E1019 | D1006-S1015 VanDerWaalsContact OD1-CB 3.23Å; D1006-S1015 WeakPolarHBondContact OD1-CB 3.5Å; D1006-S1015 PolarHBondContact OD1-N 3.02Å; D1006-S1015 PolarHBondContact OD1-OG 2.82Å; D1006-S1015 WeakPolarHBondContact OD2-CB 3.42Å; D1006-S1015 PolarHBondContact OD2-OG 3.01Å; S1015-L1017 VanDerWaalsContact C-N 3.35Å; S1015-L1017 PolarHBondContact O-N 3.22Å; S1015-L1018 WeakPolarHBondContact O-CA 3.49Å; S1015-L1018 WeakPolarHBondContact O-CB 3.41Å; S1015-L1018 PolarHBondContact O-N 2.64Å; S1015-L1018 VanDerWaalsContact O-N 3.08Å; S1015-E1019 WeakPolarHBondContact O-CG 3.2Å; S1015-E1019 PolarHBondContact O-N 3Å |
| 1016 | K | 86.5 | Confident | 84.9 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.1 | -33.5 | -176 | -165.9 | 174.7 | -174 | 175.8 | 0 | 112.6 | N1014 L1018 N1020 | N1014-K1016 VanDerWaalsContact C-N 3.31Å; N1014-K1016 PolarHBondContact O-N 3.28Å; N1014-K1016 PolarHBondContact OD1-N 2.91Å; K1016-L1018 VanDerWaalsContact C-N 3.34Å; K1016-N1020 PolarHBondContact O-ND2 3.25Å |
| 1017 | L | 86.4 | Confident | 85 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 41% | 0.408 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.2 | -33.2 | 173.5 | -152 | 150.7 | 0 | 0 | 0 | 110.9 | L521 N1014 S1015 | L521-L1017 HydrophobicContact CD1-CD2 3.78Å; L521-L1017 HydrophobicContact CD2-CD2 3.78Å; L521-L1017 HydrophobicContact CG-CD2 4.04Å; N1014-L1017 HydrophobicContact CB-CB 4.02Å; N1014-L1017 PolarHBondContact O-N 3.17Å; N1014-L1017 PolarHBondContact OD1-N 2.86Å; S1015-L1017 VanDerWaalsContact C-N 3.35Å; S1015-L1017 PolarHBondContact O-N 3.22Å |
| 1018 | L | 87.6 | Confident | 85.3 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 175.3 | -72.6 | 161.3 | 0 | 0 | 0 | 114.2 | T87 P512 L521 F522 Y1013 N1014 S1015 K1016 N1020 L1021 | T87-L1018 HydrophobicContact CG2-CB 4Å; P512-L1018 HydrophobicContact CB-CD2 3.77Å; P512-L1018 HydrophobicContact CG-CD2 3.46Å; P512-L1018 VanDerWaalsContact CG-CD2 3.46Å; L521-L1018 HydrophobicContact CD2-CD2 3.31Å; L521-L1018 HydrophobicContact CD2-CG 3.68Å; F522-L1018 HydrophobicContact CE1-CD1 4.03Å; Y1013-L1018 HydrophobicContact CD2-CD1 3.89Å; Y1013-L1018 HydrophobicContact CE2-CD1 3.34Å; N1014-L1018 WeakPolarHBondContact O-CG 3.32Å; N1014-L1018 PolarHBondContact O-N 3.04Å; S1015-L1018 WeakPolarHBondContact O-CA 3.49Å; S1015-L1018 WeakPolarHBondContact O-CB 3.41Å; S1015-L1018 PolarHBondContact O-N 2.64Å; S1015-L1018 VanDerWaalsContact O-N 3.08Å; K1016-L1018 VanDerWaalsContact C-N 3.34Å; L1018-N1020 PolarHBondContact O-N 3.15Å; L1018-L1021 HydrophobicContact CD2-CD1 4.37Å; L1018-L1021 PolarHBondContact O-N 3.32Å |
| 1019 | E | 86.9 | Confident | 85.7 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.2 | -25.5 | 178.6 | -76.4 | -176.2 | 154.5 | 0 | 0 | 113.4 | S1015 | S1015-E1019 WeakPolarHBondContact O-CG 3.2Å; S1015-E1019 PolarHBondContact O-N 3Å |
| 1020 | N | 89.2 | Confident | 86.5 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -18.9 | 179.7 | -76.9 | -79 | 0 | 0 | 0 | 113.6 | K1016 L1018 Q1022 | K1016-N1020 PolarHBondContact O-ND2 3.25Å; L1018-N1020 PolarHBondContact O-N 3.15Å; N1020-Q1022 PolarHBondContact O-NE2 2.92Å; N1020-Q1022 VanDerWaalsContact O-NE2 3.1Å |
| 1021 | L | 88.9 | Confident | 87 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | trans | -76.5 | 142.2 | -175.7 | -64.3 | 176.5 | 0 | 0 | 0 | 112.3 | S89 L514 L521 L1018 D1025 F1026 | S89-L1021 WeakPolarHBondContact CB-O 3.46Å; S89-L1021 PolarHBondContact OG-O 3.19Å; L514-L1021 HydrophobicContact CD2-CD1 4.13Å; L514-L1021 HydrophobicContact CD2-CD2 4.22Å; L521-L1021 HydrophobicContact CD1-CD1 4.24Å; L521-L1021 HydrophobicContact CD2-CD1 3.83Å; L1018-L1021 HydrophobicContact CD2-CD1 4.37Å; L1018-L1021 PolarHBondContact O-N 3.32Å; L1021-D1025 HydrophobicContact CD2-CB 4.21Å; L1021-F1026 HydrophobicContact CB-CE1 4.26Å; L1021-F1026 HydrophobicContact CB-CE2 4.09Å; L1021-F1026 HydrophobicContact CB-CZ 3.55Å; L1021-F1026 HydrophobicContact CD1-CE1 3.69Å; L1021-F1026 HydrophobicContact CD1-CZ 3.8Å; L1021-F1026 HydrophobicContact CG-CZ 4.33Å | ||
| 1022 | Q | 93 | Very high | 86.6 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | trans | -101.1 | 162.1 | 179.4 | -54.8 | -55.1 | -65.6 | 0 | 0 | 110.9 | N1020 D1024 D1025 F1026 | N1020-Q1022 PolarHBondContact O-NE2 2.92Å; N1020-Q1022 VanDerWaalsContact O-NE2 3.1Å; Q1022-D1024 PolarHBondContact O-N 2.79Å; Q1022-D1025 WeakPolarHBondContact CB-OD2 3.38Å; Q1022-D1025 PolarHBondContact N-OD2 3.49Å; Q1022-D1025 WeakPolarHBondContact O-CB 3.25Å; Q1022-D1025 PolarHBondContact O-N 2.65Å; Q1022-F1026 WeakPolarHBondContact O-CD2 3.45Å; Q1022-F1026 WeakPolarHBondContact O-CE2 3.37Å | ||
| 1023 | P | 92.9 | Very high | 85.3 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -53.6 | -37.9 | 179.1 | -27.9 | 35 | 0 | 0 | 0 | 114.2 | I92 A93 D1025 F1026 | I92-P1023 HydrophobicContact CB-CG 4.22Å; I92-P1023 HydrophobicContact CG2-CB 4.11Å; I92-P1023 HydrophobicContact CG2-CG 4Å; A93-P1023 HydrophobicContact CB-CB 4.27Å; A93-P1023 WeakPolarHBondContact CB-O 3.34Å; P1023-D1025 PolarHBondContact O-N 2.69Å; P1023-F1026 PolarHBondContact O-N 3.22Å |
| 1024 | D | 91.6 | Very high | 83.5 | Confident | 144 Ų | 144 | 64.3 Ų | 64.3 | 77% | 0.77 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -68.8 | -13.4 | 179.6 | -63.4 | -22.3 | 0 | 0 | 0 | 113.8 | T515 Q1022 F1026 | T515-D1024 VanDerWaalsContact CG2-O 3.28Å; T515-D1024 WeakPolarHBondContact CG2-O 3.31Å; T515-D1024 PolarHBondContact OG1-O 3.11Å; Q1022-D1024 PolarHBondContact O-N 2.79Å; D1024-F1026 VanDerWaalsContact C-N 3.29Å |
| 1025 | D | 90.7 | Very high | 81.1 | Confident | 33 Ų | 33 | 71 Ų | 71 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -81.2 | -8.5 | 177.5 | -60.5 | -46.2 | 0 | 0 | 0 | 112.3 | L514 T515 L1021 Q1022 P1023 | L514-D1025 CarbonylContact C-O 3.58Å; L514-D1025 VanDerWaalsContact CA-O 3.3Å; L514-D1025 WeakPolarHBondContact CA-O 3.25Å; T515-D1025 PolarHBondContact N-O 2.96Å; T515-D1025 PolarHBondContact OG1-O 2.77Å; L1021-D1025 HydrophobicContact CD2-CB 4.21Å; Q1022-D1025 WeakPolarHBondContact CB-OD2 3.38Å; Q1022-D1025 PolarHBondContact N-OD2 3.49Å; Q1022-D1025 WeakPolarHBondContact O-CB 3.25Å; Q1022-D1025 PolarHBondContact O-N 2.65Å; P1023-D1025 PolarHBondContact O-N 2.69Å |
| 1026 | F | 91.2 | Very high | 78.9 | Confident | 14 Ų | 14 | 73 Ų | 73 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -107 | 141.9 | -175.2 | -56.3 | -70.9 | 0 | 0 | 0 | 116.3 | H90 A93 P512 R513 T515 L1021 Q1022 P1023 D1024 F1028 | H90-F1026 HydrophobicContact CB-CE2 4.15Å; H90-F1026 HydrophobicContact CB-CZ 4.16Å; A93-F1026 HydrophobicContact CB-CB 4.03Å; A93-F1026 HydrophobicContact CB-CD2 4.15Å; P512-F1026 HydrophobicContact CB-CD1 4.47Å; P512-F1026 HydrophobicContact CB-CE1 3.98Å; R513-F1026 CarbonylContact O-C 3.56Å; R513-F1026 VanDerWaalsContact O-CA 3.23Å; R513-F1026 WeakPolarHBondContact O-CA 3.12Å; T515-F1026 WeakPolarHBondContact CG2-O 3.42Å; L1021-F1026 HydrophobicContact CB-CE1 4.26Å; L1021-F1026 HydrophobicContact CB-CE2 4.09Å; L1021-F1026 HydrophobicContact CB-CZ 3.55Å; L1021-F1026 HydrophobicContact CD1-CE1 3.69Å; L1021-F1026 HydrophobicContact CD1-CZ 3.8Å; L1021-F1026 HydrophobicContact CG-CZ 4.33Å; Q1022-F1026 WeakPolarHBondContact O-CD2 3.45Å; Q1022-F1026 WeakPolarHBondContact O-CE2 3.37Å; P1023-F1026 PolarHBondContact O-N 3.22Å; D1024-F1026 VanDerWaalsContact C-N 3.29Å; F1026-F1028 HydrophobicContact CB-CD2 4.19Å; F1026-F1028 HydrophobicContact CB-CE2 3.42Å; F1026-F1028 VanDerWaalsContact CB-CE2 3.42Å; F1026-F1028 HydrophobicContact CB-CZ 3.77Å; F1026-F1028 HydrophobicContact CD1-CZ 4.23Å; F1026-F1028 HydrophobicContact CG-CE2 4.06Å; F1026-F1028 HydrophobicContact CG-CZ 4.14Å |
| 1027 | D | 86.3 | Confident | 76.6 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | trans | -119 | 120.6 | 175.3 | 179.9 | 60.9 | 0 | 0 | 0 | 112.1 | R513 T515 K1029 | R513-D1027 WeakPolarHBondContact CB-O 3.41Å; R513-D1027 IonicContact CZ-OD2 2.73Å; R513-D1027 PolarHBondContact NH1-O 2.87Å; R513-D1027 IonicContact NH1-OD2 3.1Å; R513-D1027 PolarHBondContact NH1-OD2 2.96Å; R513-D1027 IonicContact NH2-OD2 3.95Å; R513-D1027 PolarHBondContact O-N 3.4Å; T515-D1027 HydrophobicContact CG2-CB 4.12Å; D1027-K1029 WeakPolarHBondContact OD1-CG 3.3Å; D1027-K1029 IonicContact OD1-NZ 3.7Å; D1027-K1029 PolarHBondContact OD1-NZ 2.94Å | ||
| 1028 | F | 87.8 | Confident | 74.2 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | trans | -130.1 | 17.2 | 179.9 | -59.8 | -58.6 | 0 | 0 | 0 | 113.7 | H90 A93 L94 E97 F509 R513 F1026 F1030 | H90-F1028 AromaticContact CD2-CE2 3.5Å; H90-F1028 VanDerWaalsContact CD2-CE2 3.5Å; H90-F1028 WeakPolarHBondContact CD2-CE2 3.48Å; H90-F1028 AromaticContact CD2-CZ 3.16Å; H90-F1028 WeakPolarHBondContact CD2-CZ 3.38Å; H90-F1028 AromaticContact NE2-CE1 3.25Å; H90-F1028 VanDerWaalsContact NE2-CE1 3.25Å; H90-F1028 WeakPolarHBondContact NE2-CE1 3.33Å; H90-F1028 AromaticContact NE2-CE2 3.94Å; H90-F1028 AromaticContact NE2-CZ 3.19Å; H90-F1028 WeakPolarHBondContact NE2-CZ 3.38Å; A93-F1028 HydrophobicContact CB-CD2 4.25Å; A93-F1028 HydrophobicContact CB-CE2 4.02Å; L94-F1028 HydrophobicContact CB-CD2 3.86Å; L94-F1028 HydrophobicContact CB-CE2 4.02Å; L94-F1028 HydrophobicContact CB-CG 4.46Å; L94-F1028 HydrophobicContact CD1-CB 3.93Å; L94-F1028 HydrophobicContact CD1-CD1 4.34Å; L94-F1028 HydrophobicContact CD1-CD2 4.12Å; L94-F1028 HydrophobicContact CD1-CG 3.87Å; E97-F1028 HydrophobicContact CB-CB 4.44Å; E97-F1028 HydrophobicContact CG-CB 4.22Å; E97-F1028 WeakPolarHBondContact CG-O 3.42Å; F509-F1028 HydrophobicContact CD1-CB 4.22Å; F509-F1028 HydrophobicContact CD1-CD1 4.48Å; F509-F1028 HydrophobicContact CE1-CB 4.45Å; F509-F1028 WeakPolarHBondContact CE1-O 3.41Å; R513-F1028 HydrophobicContact CB-CE1 4.39Å; F1026-F1028 HydrophobicContact CB-CD2 4.19Å; F1026-F1028 HydrophobicContact CB-CE2 3.42Å; F1026-F1028 VanDerWaalsContact CB-CE2 3.42Å; F1026-F1028 HydrophobicContact CB-CZ 3.77Å; F1026-F1028 HydrophobicContact CD1-CZ 4.23Å; F1026-F1028 HydrophobicContact CG-CE2 4.06Å; F1026-F1028 HydrophobicContact CG-CZ 4.14Å; F1028-F1030 PolarHBondContact O-N 2.56Å | ||
| 1029 | K | 86.1 | Confident | 71.9 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | trans | -44.7 | 122 | -170.8 | -76.9 | -177 | -166.6 | 86 | 0 | 113.5 | E97 Y508 D1027 V1031 | E97-K1029 WeakPolarHBondContact OE1-CA 3.37Å; Y508-K1029 PolarHBondContact OH-O 3.01Å; D1027-K1029 WeakPolarHBondContact OD1-CG 3.3Å; D1027-K1029 IonicContact OD1-NZ 3.7Å; D1027-K1029 PolarHBondContact OD1-NZ 2.94Å; K1029-V1031 VanDerWaalsContact C-N 3.26Å; K1029-V1031 HydrophobicContact CB-CG2 3.95Å; K1029-V1031 PolarHBondContact O-N 3.36Å | ||
| 1030 | F | 86.9 | Confident | 69.5 | Low | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.009 | 42% | 0.415 | C | S | . | . | trans | -85.6 | 62 | -175.6 | -151.8 | -47.6 | 0 | 0 | 0 | 111.6 | E97 L98 A101 L337 K340 L341 L344 W437 F509 F1028 L1059 | E97-F1030 PolarHBondContact OE1-N 2.77Å; L98-F1030 HydrophobicContact CD2-CD2 4.04Å; L98-F1030 HydrophobicContact CD2-CE2 4.07Å; A101-F1030 HydrophobicContact CB-CB 3.76Å; A101-F1030 HydrophobicContact CB-CD2 3.82Å; A101-F1030 HydrophobicContact CB-CG 3.98Å; L337-F1030 HydrophobicContact CD2-CD2 3.99Å; L337-F1030 HydrophobicContact CD2-CE2 3.63Å; L337-F1030 HydrophobicContact CD2-CZ 4.44Å; K340-F1030 HydrophobicContact CB-CE1 4.17Å; K340-F1030 HydrophobicContact CB-CZ 4.36Å; K340-F1030 HydrophobicContact CD-CD1 3.5Å; K340-F1030 VanDerWaalsContact CD-CD1 3.5Å; K340-F1030 HydrophobicContact CD-CE1 3.5Å; K340-F1030 HydrophobicContact CD-CG 4.03Å; K340-F1030 HydrophobicContact CD-CZ 4.04Å; K340-F1030 VanDerWaalsContact CE-CD1 3.44Å; K340-F1030 WeakPolarHBondContact CE-O 3.16Å; K340-F1030 HydrophobicContact CG-CD1 4.01Å; K340-F1030 HydrophobicContact CG-CE1 3.6Å; K340-F1030 HydrophobicContact CG-CZ 4.24Å; K340-F1030 PolarHBondContact NZ-O 3.35Å; L341-F1030 HydrophobicContact CB-CE1 4.47Å; L341-F1030 HydrophobicContact CB-CZ 4.11Å; L344-F1030 HydrophobicContact CD1-CD1 4.05Å; L344-F1030 HydrophobicContact CD1-CE1 3.96Å; W437-F1030 HydrophobicContact CH2-CE2 4.49Å; W437-F1030 HydrophobicContact CH2-CZ 4.34Å; W437-F1030 AromaticContact CZ2-CE2 3.9Å; W437-F1030 HydrophobicContact CZ2-CE2 3.9Å; W437-F1030 AromaticContact CZ2-CZ 3.99Å; W437-F1030 HydrophobicContact CZ2-CZ 3.99Å; F509-F1030 HydrophobicContact CE1-CD2 4.22Å; F509-F1030 HydrophobicContact CE2-CE2 4.23Å; F509-F1030 AromaticContact CZ-CD2 3.62Å; F509-F1030 HydrophobicContact CZ-CD2 3.62Å; F509-F1030 AromaticContact CZ-CE2 3.7Å; F509-F1030 HydrophobicContact CZ-CE2 3.7Å; F509-F1030 HydrophobicContact CZ-CG 4.2Å; F509-F1030 HydrophobicContact CZ-CZ 4.35Å; F1028-F1030 PolarHBondContact O-N 2.56Å; F1030-L1059 HydrophobicContact CD1-CD2 3.65Å; F1030-L1059 HydrophobicContact CE1-CD2 3.75Å; F1030-L1059 HydrophobicContact CG-CD2 4.47Å | ||
| 1031 | V | 76.3 | Confident | 67 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -143.7 | 157.9 | -179.5 | -76.5 | 0 | 0 | 0 | 0 | 112.6 | K1029 H1033 | K1029-V1031 VanDerWaalsContact C-N 3.26Å; K1029-V1031 HydrophobicContact CB-CG2 3.95Å; K1029-V1031 PolarHBondContact O-N 3.36Å; V1031-H1033 PolarHBondContact O-N 2.89Å |
| 1032 | L | 66.3 | Low | 64.7 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | trans | -84.3 | 101.2 | 176.9 | -74.8 | 174.7 | 0 | 0 | 0 | 112.3 | L344 M1034 L1060 F1063 | L344-L1032 HydrophobicContact CB-CD1 4.33Å; L344-L1032 HydrophobicContact CD2-CD1 3.82Å; L344-L1032 HydrophobicContact CD2-CG 4.09Å; L1032-M1034 HydrophobicContact CB-CE 4Å; L1032-M1034 HydrophobicContact CB-CG 4.48Å; L1032-M1034 HydrophobicContact CD1-CE 4.49Å; L1032-M1034 HydrophobicContact CD2-CE 4.11Å; L1032-M1034 HydrophobicContact CG-CE 4.43Å; L1032-M1034 PolarHBondContact O-N 2.72Å; L1032-M1034 VanDerWaalsContact O-N 3.08Å; L1032-L1060 HydrophobicContact CD2-CD1 3.53Å; L1032-L1060 HydrophobicContact CD2-CG 3.95Å; L1032-F1063 HydrophobicContact CD2-CD1 4.19Å; L1032-F1063 HydrophobicContact CD2-CE1 4.32Å | ||
| 1033 | H | 53.3 | Low | 62.4 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | trans | -78.3 | 83.7 | 167 | -76.5 | -80 | 0 | 0 | 0 | 110.9 | V1031 N1035 | V1031-H1033 PolarHBondContact O-N 2.89Å; H1033-N1035 PolarHBondContact O-N 2.8Å | ||
| 1034 | M | 48.9 | Very low | 60.3 | Low | 103 Ų | 103 | 96 Ų | 96 | 51% | 0.507 | 48% | 0.479 | S | S | . | . | trans | -67.6 | -7.5 | 179 | -61.5 | -76.5 | 77.9 | 0 | 0 | 115 | L1032 L1036 F1063 | L1032-M1034 HydrophobicContact CB-CE 4Å; L1032-M1034 HydrophobicContact CB-CG 4.48Å; L1032-M1034 HydrophobicContact CD1-CE 4.49Å; L1032-M1034 HydrophobicContact CD2-CE 4.11Å; L1032-M1034 HydrophobicContact CG-CE 4.43Å; L1032-M1034 PolarHBondContact O-N 2.72Å; L1032-M1034 VanDerWaalsContact O-N 3.08Å; M1034-L1036 VanDerWaalsContact C-N 3.35Å; M1034-L1036 PolarHBondContact O-N 3.29Å; M1034-F1063 HydrophobicContact CE-CB 3.97Å; M1034-F1063 HydrophobicContact CE-CD1 3.24Å; M1034-F1063 HydrophobicContact CE-CD2 3.92Å; M1034-F1063 HydrophobicContact CE-CE1 3.56Å; M1034-F1063 HydrophobicContact CE-CE2 4.2Å; M1034-F1063 HydrophobicContact CE-CG 3.43Å; M1034-F1063 VanDerWaalsContact CE-CG 3.43Å; M1034-F1063 HydrophobicContact CE-CZ 4.03Å; M1034-F1063 HydrophobicContact SD-CB 4.48Å; M1034-F1063 HydrophobicContact SD-CG 4.47Å | ||
| 1035 | N | 37.5 | Very low | 58.4 | Low | 159 Ų | 159 | 89.6 Ų | 89.6 | 85% | 0.85 | 45% | 0.445 | S | S | * | . | trans | -90.2 | 63.4 | -160.5 | -149.8 | 35.1 | 0 | 0 | 0 | 113.6 | H1033 | H1033-N1035 PolarHBondContact O-N 2.8Š| ||
| 1036 | L | 43.4 | Very low | 56.9 | Low | 75 Ų | 75 | 88 Ų | 88 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -103.2 | 136.9 | 156.9 | -76.7 | 163.3 | 0 | 0 | 0 | 107.6 | M1034 S1038 Q1055 | M1034-L1036 VanDerWaalsContact C-N 3.35Å; M1034-L1036 PolarHBondContact O-N 3.29Å; L1036-S1038 PolarHBondContact O-N 3.04Å; L1036-Q1055 HydrophobicContact CD2-CG 4.33Å |
| 1037 | S | 37.8 | Very low | 55.5 | Low | 72 Ų | 72 | 88 Ų | 88 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | trans | -55.7 | 131.2 | -160.8 | 53.1 | 0 | 0 | 0 | 0 | 114 | N1039 | S1037-N1039 PolarHBondContact O-N 2.75Š| ||
| 1038 | S | 35.4 | Very low | 54.3 | Low | 119 Ų | 119 | 87.5 Ų | 87.5 | 83% | 0.832 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 10.2 | -165 | 58.6 | 0 | 0 | 0 | 0 | 116.6 | L1036 | L1036-S1038 PolarHBondContact O-N 3.04Š|
| 1039 | N | 38.9 | Very low | 52.5 | Low | 147 Ų | 147 | 87.4 Ų | 87.4 | 79% | 0.786 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -10.1 | -174.1 | -73.7 | -12.6 | 0 | 0 | 0 | 114.3 | S1037 | S1037-N1039 PolarHBondContact O-N 2.75Š|
| 1040 | R | 36.3 | Very low | 50.8 | Low | 170 Ų | 170 | 85.8 Ų | 85.8 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | trans | -99 | 119.1 | 177.2 | -59.4 | -168.4 | -170.8 | -149.3 | 3.3 | 110.7 | E612 H1042 | E612-R1040 IonicContact OE1-NH2 2.73Å; E612-R1040 PolarHBondContact OE1-NH2 3.34Å; E612-R1040 IonicContact OE2-NH2 3.68Å; R1040-H1042 PolarHBondContact O-N 3.18Å | ||
| 1041 | R | 38.2 | Very low | 48.9 | Very low | 235 Ų | 235 | 88.4 Ų | 88.4 | 89% | 0.887 | 45% | 0.454 | S | S | * | . | trans | -75.2 | 33 | -172.9 | -65.6 | -176.5 | 175.2 | 173 | -0.7 | 115.3 | ||||
| 1042 | H | 40.6 | Very low | 47.6 | Very low | 155 Ų | 155 | 86.8 Ų | 86.8 | 72% | 0.718 | 45% | 0.446 | S | S | * | . | trans | -126 | 88.2 | -176.4 | -66 | -75.9 | 0 | 0 | 0 | 109.9 | R1040 Q1044 | R1040-H1042 PolarHBondContact O-N 3.18Å; H1042-Q1044 PolarHBondContact O-N 2.62Å | ||
| 1043 | N | 44.4 | Very low | 46.8 | Very low | 93 Ų | 93 | 88.1 Ų | 88.1 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -72.5 | 34.1 | 178.7 | -64.5 | 10.8 | 0 | 0 | 0 | 113 | D1064 | N1043-D1064 PolarHBondContact ND2-OD2 2.96Š| ||
| 1044 | Q | 47.3 | Very low | 46.7 | Very low | 126 Ų | 126 | 85.1 Ų | 85.1 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | B | Isolated β-bridge | trans | -98.3 | 121.5 | 174.9 | -74.9 | -178 | -33.3 | 0 | 0 | 109.1 | H1042 | H1042-Q1044 PolarHBondContact O-N 2.62Å |
| 1045 | S | 53.7 | Low | 47.2 | Very low | 10 Ų | 10 | 83.1 Ų | 83.1 | 7% | 0.07 | 42% | 0.424 | C | S | . | . | trans | -70.8 | 147.6 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V1047 T1058 L1060 A1061 | S1045-V1047 PolarHBondContact O-N 2.94Å; S1045-T1058 PolarHBondContact OG-OG1 3.12Å; S1045-L1060 WeakPolarHBondContact CB-O 3.26Å; S1045-L1060 PolarHBondContact OG-O 3Å; S1045-A1061 WeakPolarHBondContact CB-O 3.39Å; S1045-A1061 PolarHBondContact N-O 3.4Å | ||
| 1046 | S | 57.8 | Low | 48.4 | Very low | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | trans | -78.1 | 67.7 | 177.9 | -151.2 | 0 | 0 | 0 | 0 | 111.4 | L1048 G1049 L1050 A1051 S1057 | S1046-L1048 PolarHBondContact O-N 3.12Å; S1046-G1049 PolarHBondContact O-N 3.21Å; S1046-G1049 WeakPolarHBondContact OG-CA 3.46Å; S1046-G1049 PolarHBondContact OG-O 3Å; S1046-L1050 PolarHBondContact OG-N 3.48Å; S1046-A1051 WeakPolarHBondContact OG-CB 3.26Å; S1046-A1051 PolarHBondContact OG-N 2.94Å; S1046-S1057 VanDerWaalsContact O-CA 3.25Å; S1046-S1057 WeakPolarHBondContact O-CA 3.21Å; S1046-S1057 VanDerWaalsContact O-CB 3.26Å; S1046-S1057 WeakPolarHBondContact O-CB 3.43Å | ||
| 1047 | V | 62.1 | Low | 49.7 | Very low | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -58.2 | 124.3 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | L76 A504 S1045 G1049 L1050 A1061 | L76-V1047 HydrophobicContact CD1-CG1 4.09Å; L76-V1047 HydrophobicContact CD2-CB 4.16Å; L76-V1047 HydrophobicContact CD2-CG1 3.65Å; L76-V1047 HydrophobicContact CG-CG1 4.49Å; A504-V1047 HydrophobicContact CB-CG1 4.26Å; A504-V1047 HydrophobicContact CB-CG2 3.64Å; S1045-V1047 PolarHBondContact O-N 2.94Å; V1047-G1049 PolarHBondContact O-N 3.48Å; V1047-L1050 VanDerWaalsContact O-CB 3.31Å; V1047-L1050 WeakPolarHBondContact O-CB 3.25Å; V1047-L1050 WeakPolarHBondContact O-CG 3.4Å; V1047-L1050 PolarHBondContact O-N 3.4Å; V1047-A1061 HydrophobicContact CG2-CB 4.09Å |
| 1048 | L | 60.6 | Low | 51.6 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | 44.9 | 29 | -167.3 | -60 | -162.8 | 0 | 0 | 0 | 116 | L76 L80 V511 H520 T523 S1046 | L76-L1048 HydrophobicContact CD1-CB 3.86Å; L76-L1048 HydrophobicContact CD1-CD1 3.58Å; L76-L1048 HydrophobicContact CD1-CG 3.56Å; L80-L1048 HydrophobicContact CD2-CD1 3.94Å; L80-L1048 HydrophobicContact CG-CD1 4.19Å; V511-L1048 HydrophobicContact CB-CD2 3.81Å; V511-L1048 HydrophobicContact CG1-CD2 4.3Å; V511-L1048 HydrophobicContact CG2-CD1 3.95Å; V511-L1048 HydrophobicContact CG2-CD2 3.58Å; V511-L1048 HydrophobicContact CG2-CG 4.44Å; H520-L1048 WeakPolarHBondContact CE1-CD2 3.25Å; H520-L1048 WeakPolarHBondContact NE2-CD2 3.17Å; T523-L1048 VanDerWaalsContact CG2-O 3.25Å; T523-L1048 WeakPolarHBondContact CG2-O 3.28Å; S1046-L1048 PolarHBondContact O-N 3.12Å |
| 1049 | G | 51.3 | Low | 54 | Low | 4 Ų | 4 | 66.2 Ų | 66.2 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | 79.4 | 13.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1046 V1047 A1051 S1052 R1053 | S1046-G1049 PolarHBondContact O-N 3.21Å; S1046-G1049 WeakPolarHBondContact OG-CA 3.46Å; S1046-G1049 PolarHBondContact OG-O 3Å; V1047-G1049 PolarHBondContact O-N 3.48Å; G1049-A1051 VanDerWaalsContact C-N 3.33Å; G1049-A1051 PolarHBondContact O-N 3.32Å; G1049-S1052 CarbonylContact O-C 3.51Å; G1049-S1052 WeakPolarHBondContact O-CA 3.49Å; G1049-S1052 PolarHBondContact O-N 3.11Å; G1049-S1052 VanDerWaalsContact O-N 3.14Å; G1049-R1053 WeakPolarHBondContact O-CA 3.47Å; G1049-R1053 PolarHBondContact O-N 3.28Å |
| 1050 | L | 50.3 | Low | 56.1 | Low | 67 Ų | 67 | 59.2 Ų | 59.2 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.5 | -176.6 | -76.9 | 179.9 | 0 | 0 | 0 | 115.6 | M72 L76 S1046 V1047 S1052 | M72-L1050 HydrophobicContact CB-CD1 4.32Å; M72-L1050 HydrophobicContact CB-CD2 4.22Å; M72-L1050 HydrophobicContact SD-CD2 3.74Å; L76-L1050 HydrophobicContact CB-CD1 4.01Å; L76-L1050 HydrophobicContact CD1-CD1 4.42Å; L76-L1050 HydrophobicContact CD2-CD1 3.79Å; L76-L1050 HydrophobicContact CG-CD1 4.28Å; S1046-L1050 PolarHBondContact OG-N 3.48Å; V1047-L1050 VanDerWaalsContact O-CB 3.31Å; V1047-L1050 WeakPolarHBondContact O-CB 3.25Å; V1047-L1050 WeakPolarHBondContact O-CG 3.4Å; V1047-L1050 PolarHBondContact O-N 3.4Å; L1050-S1052 VanDerWaalsContact C-N 3.26Å; L1050-S1052 PolarHBondContact O-N 3.36Å |
| 1051 | A | 46.8 | Very low | 58 | Low | 57 Ų | 57 | 51.6 Ų | 51.6 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1046 G1049 | S1046-A1051 WeakPolarHBondContact OG-CB 3.26Å; S1046-A1051 PolarHBondContact OG-N 2.94Å; G1049-A1051 VanDerWaalsContact C-N 3.33Å; G1049-A1051 PolarHBondContact O-N 3.32Å |
| 1052 | S | 49.5 | Very low | 59.9 | Low | 42 Ų | 42 | 43 Ų | 43 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | trans | -175.7 | 134.1 | 158.8 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | G1049 L1050 N1054 Q1055 | G1049-S1052 CarbonylContact O-C 3.51Å; G1049-S1052 WeakPolarHBondContact O-CA 3.49Å; G1049-S1052 PolarHBondContact O-N 3.11Å; G1049-S1052 VanDerWaalsContact O-N 3.14Å; L1050-S1052 VanDerWaalsContact C-N 3.26Å; L1050-S1052 PolarHBondContact O-N 3.36Å; S1052-N1054 PolarHBondContact O-N 3.07Å; S1052-Q1055 PolarHBondContact O-N 3.2Å; S1052-Q1055 VanDerWaalsContact OG-CD 3.22Å; S1052-Q1055 VanDerWaalsContact OG-CG 3.3Å; S1052-Q1055 WeakPolarHBondContact OG-CG 3.28Å; S1052-Q1055 PolarHBondContact OG-NE2 3.47Å | ||
| 1053 | R | 48.1 | Very low | 61.7 | Low | 88 Ų | 88 | 37.8 Ų | 37.8 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -21.8 | -174.5 | -72 | -167.2 | -174.7 | -173.5 | -0.7 | 114.1 | H524 D1011 G1049 | H524-R1053 PolarHBondContact NE2-NE 3.02Å; H524-R1053 PolarHBondContact NE2-NH2 2.99Å; D1011-R1053 VanDerWaalsContact OD2-CD 3.26Å; D1011-R1053 WeakPolarHBondContact OD2-CD 3.16Å; D1011-R1053 IonicContact OD2-CZ 2.99Å; D1011-R1053 IonicContact OD2-NE 2.72Å; D1011-R1053 IonicContact OD2-NH1 2.83Å; D1011-R1053 PolarHBondContact OD2-NH1 3.37Å; G1049-R1053 WeakPolarHBondContact O-CA 3.47Å; G1049-R1053 PolarHBondContact O-N 3.28Å |
| 1054 | N | 52.2 | Low | 63.3 | Low | 44 Ų | 44 | 37.7 Ų | 37.7 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.2 | -179.2 | -73.6 | -57.4 | 0 | 0 | 0 | 115.2 | R519 N587 S1052 | R519-N1054 PolarHBondContact NE-O 3.35Å; R519-N1054 PolarHBondContact NH1-OD1 2.91Å; R519-N1054 PolarHBondContact NH2-O 3.31Å; R519-N1054 VanDerWaalsContact NH2-O 3.15Å; R519-N1054 PolarHBondContact NH2-OD1 3.22Å; N587-N1054 VanDerWaalsContact ND2-CG 3.29Å; N587-N1054 PolarHBondContact ND2-ND2 2.94Å; N587-N1054 PolarHBondContact ND2-OD1 3.43Å; S1052-N1054 PolarHBondContact O-N 3.07Å |
| 1055 | Q | 59.1 | Low | 64.6 | Low | 60 Ų | 60 | 33.3 Ų | 33.3 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -88.2 | 143.3 | -178.3 | -79.4 | 175.7 | 1.7 | 0 | 0 | 112.6 | L1036 S1052 | L1036-Q1055 HydrophobicContact CD2-CG 4.33Å; S1052-Q1055 PolarHBondContact O-N 3.2Å; S1052-Q1055 VanDerWaalsContact OG-CD 3.22Å; S1052-Q1055 VanDerWaalsContact OG-CG 3.3Å; S1052-Q1055 WeakPolarHBondContact OG-CG 3.28Å; S1052-Q1055 PolarHBondContact OG-NE2 3.47Å |
| 1056 | P | 62.9 | Low | 65.9 | Low | 52 Ų | 52 | 33.5 Ų | 33.5 | 34% | 0.338 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 142.7 | 168.7 | 30.6 | -35 | 0 | 0 | 0 | 110.1 | G518 | G518-P1056 WeakPolarHBondContact O-CA 3.47Å; G518-P1056 VanDerWaalsContact O-CB 3.25Å; G518-P1056 WeakPolarHBondContact O-CB 3.35Å |
| 1057 | S | 69.8 | Low | 66.9 | Low | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 158.2 | 171.3 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | R513 H520 S1046 | R513-S1057 PolarHBondContact NE-OG 2.6Å; H520-S1057 PolarHBondContact CE1-OG 3.04Å; H520-S1057 VanDerWaalsContact CE1-OG 3.27Å; H520-S1057 WeakPolarHBondContact NE2-CB 3.41Å; H520-S1057 PolarHBondContact NE2-OG 3.35Å; S1046-S1057 VanDerWaalsContact O-CA 3.25Å; S1046-S1057 WeakPolarHBondContact O-CA 3.21Å; S1046-S1057 VanDerWaalsContact O-CB 3.26Å; S1046-S1057 WeakPolarHBondContact O-CB 3.43Å |
| 1058 | T | 77.2 | Confident | 67.4 | Low | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | trans | -120.3 | 160.5 | 170.1 | 91.1 | 0 | 0 | 0 | 0 | 110.4 | S1045 L1060 F1063 | S1045-T1058 PolarHBondContact OG-OG1 3.12Å; T1058-L1060 PolarHBondContact O-N 3.26Å; T1058-L1060 VanDerWaalsContact O-N 3.08Å; T1058-L1060 PolarHBondContact OG1-O 3.4Å; T1058-F1063 HydrophobicContact CG2-CZ 4Å; T1058-F1063 VanDerWaalsContact OG1-CE1 3.24Å; T1058-F1063 WeakPolarHBondContact OG1-CE1 3.28Å; T1058-F1063 VanDerWaalsContact OG1-CZ 3.29Å; T1058-F1063 WeakPolarHBondContact OG1-CZ 3.36Å | ||
| 1059 | L | 86 | Confident | 68 | Low | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -57.1 | -20.4 | -176.7 | 178.7 | 59.3 | 0 | 0 | 0 | 115.1 | L341 L344 A505 Y508 F509 F1030 | L341-L1059 HydrophobicContact CD1-CD1 4.08Å; L341-L1059 HydrophobicContact CD1-CD2 4.49Å; L341-L1059 HydrophobicContact CD1-CG 4.08Å; L344-L1059 HydrophobicContact CD1-CD2 3.8Å; A505-L1059 HydrophobicContact CB-CD1 4.18Å; A505-L1059 PolarHBondContact N-O 2.66Å; Y508-L1059 HydrophobicContact CD1-CB 4.3Å; Y508-L1059 HydrophobicContact CD1-CD1 3.83Å; Y508-L1059 HydrophobicContact CE1-CB 4.38Å; Y508-L1059 HydrophobicContact CE1-CD1 4.31Å; Y508-L1059 HydrophobicContact CG-CB 4.46Å; Y508-L1059 HydrophobicContact CG-CD1 4.44Å; F509-L1059 HydrophobicContact CD2-CD1 4.28Å; F509-L1059 HydrophobicContact CE1-CD1 4.5Å; F509-L1059 HydrophobicContact CE2-CD1 3.31Å; F509-L1059 HydrophobicContact CZ-CD1 3.45Å; F509-L1059 VanDerWaalsContact CZ-CD1 3.45Å; F1030-L1059 HydrophobicContact CD1-CD2 3.65Å; F1030-L1059 HydrophobicContact CE1-CD2 3.75Å; F1030-L1059 HydrophobicContact CG-CD2 4.47Å |
| 1060 | L | 84.1 | Confident | 68.9 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -121.4 | 159.9 | -175.7 | -62.1 | -176.3 | 0 | 0 | 0 | 111 | L341 L344 L1032 S1045 T1058 H1062 F1063 | L341-L1060 HydrophobicContact CD1-CD2 3.92Å; L344-L1060 HydrophobicContact CB-CD1 4.39Å; L344-L1060 VanDerWaalsContact O-CD1 3.23Å; L344-L1060 WeakPolarHBondContact O-CD1 3.38Å; L1032-L1060 HydrophobicContact CD2-CD1 3.53Å; L1032-L1060 HydrophobicContact CD2-CG 3.95Å; S1045-L1060 WeakPolarHBondContact CB-O 3.26Å; S1045-L1060 PolarHBondContact OG-O 3Å; T1058-L1060 PolarHBondContact O-N 3.26Å; T1058-L1060 VanDerWaalsContact O-N 3.08Å; T1058-L1060 PolarHBondContact OG1-O 3.4Å; L1060-H1062 WeakPolarHBondContact CD1-O 3.19Å; L1060-F1063 HydrophobicContact CB-CD1 4.22Å; L1060-F1063 HydrophobicContact CB-CE1 4.19Å; L1060-F1063 HydrophobicContact CD1-CD1 4.23Å | ||
| 1061 | A | 76.4 | Confident | 69.7 | Low | 10 Ų | 10 | 40.8 Ų | 40.8 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -84.1 | -35 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S500 A504 S1045 V1047 | S500-A1061 WeakPolarHBondContact O-CB 3.27Å; A504-A1061 HydrophobicContact CB-CB 4.08Å; A504-A1061 VanDerWaalsContact CB-N 3.28Å; S1045-A1061 WeakPolarHBondContact CB-O 3.39Å; S1045-A1061 PolarHBondContact N-O 3.4Å; V1047-A1061 HydrophobicContact CG2-CB 4.09Å |
| 1062 | H | 77.2 | Confident | 70.4 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -135 | 134.3 | -174.3 | -58.4 | -44.6 | 0 | 0 | 0 | 111 | Y497 S500 Q501 L1060 | Y497-H1062 AromaticContact CD2-CD2 3.59Å; Y497-H1062 HydrophobicContact CE2-CB 3.7Å; Y497-H1062 AromaticContact CE2-CD2 3.68Å; S500-H1062 PolarHBondContact OG-CD2 3.23Å; Q501-H1062 PolarHBondContact NE2-O 2.91Å; Q501-H1062 PolarHBondContact OE1-O 2.95Å; L1060-H1062 WeakPolarHBondContact CD1-O 3.19Å |
| 1063 | F | 79 | Confident | 71.3 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 20% | 0.197 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -93.9 | -24.4 | 179.5 | -52.6 | -53 | 0 | 0 | 0 | 113.2 | H346 L1032 M1034 T1058 L1060 | H346-F1063 PolarHBondContact NE2-O 3.37Å; L1032-F1063 HydrophobicContact CD2-CD1 4.19Å; L1032-F1063 HydrophobicContact CD2-CE1 4.32Å; M1034-F1063 HydrophobicContact CE-CB 3.97Å; M1034-F1063 HydrophobicContact CE-CD1 3.24Å; M1034-F1063 HydrophobicContact CE-CD2 3.92Å; M1034-F1063 HydrophobicContact CE-CE1 3.56Å; M1034-F1063 HydrophobicContact CE-CE2 4.2Å; M1034-F1063 HydrophobicContact CE-CG 3.43Å; M1034-F1063 VanDerWaalsContact CE-CG 3.43Å; M1034-F1063 HydrophobicContact CE-CZ 4.03Å; M1034-F1063 HydrophobicContact SD-CB 4.48Å; M1034-F1063 HydrophobicContact SD-CG 4.47Å; T1058-F1063 HydrophobicContact CG2-CZ 4Å; T1058-F1063 VanDerWaalsContact OG1-CE1 3.24Å; T1058-F1063 WeakPolarHBondContact OG1-CE1 3.28Å; T1058-F1063 VanDerWaalsContact OG1-CZ 3.29Å; T1058-F1063 WeakPolarHBondContact OG1-CZ 3.36Å; L1060-F1063 HydrophobicContact CB-CD1 4.22Å; L1060-F1063 HydrophobicContact CB-CE1 4.19Å; L1060-F1063 HydrophobicContact CD1-CD1 4.23Å |
| 1064 | D | 76.9 | Confident | 72.1 | Confident | 92 Ų | 92 | 40.5 Ų | 40.5 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -84.6 | 147.2 | 175 | -60.4 | -66.2 | 0 | 0 | 0 | 111.3 | Y497 N1043 | Y497-D1064 PolarHBondContact OH-O 3.32Å; N1043-D1064 PolarHBondContact ND2-OD2 2.96Å |
| 1065 | A | 76.5 | Confident | 72.7 | Confident | 34 Ų | 34 | 40 Ų | 40 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -63.7 | 147.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H346 | H346-A1065 HydrophobicContact CB-CB 3.78Å; H346-A1065 PolarHBondContact CD2-N 2.84Å |
| 1066 | P | 79.4 | Confident | 73 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 141.1 | 179.7 | 26.6 | -29.3 | 0 | 0 | 0 | 110 | N352 T354 Y497 | N352-P1066 HydrophobicContact CB-CG 4.38Å; N352-P1066 PolarHBondContact ND2-O 3.05Å; T354-P1066 HydrophobicContact CG2-CG 3.53Å; Y497-P1066 HydrophobicContact CD1-CB 3.99Å; Y497-P1066 HydrophobicContact CD1-CG 3.9Å; Y497-P1066 HydrophobicContact CD2-CB 3.96Å; Y497-P1066 HydrophobicContact CE1-CB 4.09Å; Y497-P1066 HydrophobicContact CE1-CG 3.73Å; Y497-P1066 HydrophobicContact CE2-CB 4.04Å; Y497-P1066 HydrophobicContact CE2-CG 4.47Å; Y497-P1066 HydrophobicContact CG-CB 3.93Å; Y497-P1066 HydrophobicContact CG-CG 4.36Å |
| 1067 | Q | 78.9 | Confident | 73.3 | Confident | 124 Ų | 124 | 39.1 Ų | 39.1 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -72.9 | 124.5 | 178.4 | -70 | -63.3 | -32 | 0 | 0 | 109.7 | Q1069 | Q1067-Q1069 PolarHBondContact O-N 3.32Š|
| 1068 | P | 73.7 | Confident | 73.5 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 134.2 | -174.8 | 23.6 | -33.7 | 0 | 0 | 0 | 110.5 | T1076 G1077 H1078 R1079 | P1068-T1076 CarbonylContact O-C 3.59Å; P1068-T1076 WeakPolarHBondContact O-CA 3.46Å; P1068-G1077 PolarHBondContact O-N 2.91Å; P1068-H1078 PolarHBondContact O-N 2.97Å; P1068-R1079 HydrophobicContact CB-CG 4.42Å; P1068-R1079 HydrophobicContact CG-CG 4.46Å |
| 1069 | Q | 72.4 | Confident | 72.9 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.5 | 175.5 | -166.7 | 170 | 5.2 | 0 | 0 | 109.7 | T491 Q1067 Q1071 N1074 L1075 T1076 | T491-Q1069 HydrophobicContact CG2-CB 4.11Å; T491-Q1069 HydrophobicContact CG2-CG 4.38Å; T491-Q1069 PolarHBondContact OG1-OE1 2.77Å; Q1067-Q1069 PolarHBondContact O-N 3.32Å; Q1069-Q1071 PolarHBondContact O-N 2.96Å; Q1069-N1074 PolarHBondContact NE2-O 2.73Å; Q1069-L1075 CarbonylContact C-O 3.57Å; Q1069-L1075 WeakPolarHBondContact CA-O 3.28Å; Q1069-T1076 HydrophobicContact CB-CG2 4.03Å; Q1069-T1076 HydrophobicContact CG-CG2 4.12Å |
| 1070 | C | 70.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 122 | 171.5 | 165.5 | 0 | 0 | 0 | 0 | 109.4 | A1072 C1073 N1074 L1075 H1078 C1083 | C1070-A1072 VanDerWaalsContact C-N 3.28Å; C1070-A1072 PolarHBondContact O-N 3.47Å; C1070-A1072 PolarHBondContact SG-N 3.18Å; C1070-C1073 PolarHBondContact O-N 3.29Å; C1070-N1074 WeakPolarHBondContact O-CA 3.1Å; C1070-N1074 PolarHBondContact O-N 2.71Å; C1070-L1075 PolarHBondContact N-O 2.93Å; C1070-H1078 WeakPolarHBondContact CB-NE2 3.3Å; C1070-H1078 PolarHBondContact N-O 3.25Å; C1070-H1078 VanDerWaalsContact N-O 3.14Å; C1070-C1083 HydrophobicContact CB-CB 3.8Å; C1070-C1083 WeakPolarHBondContact CB-SG 3.39Å; C1070-C1083 WeakPolarHBondContact SG-CB 3.09Å; C1070-C1083 CovalentContact SG-SG 2.03Å; C1070-C1083 PolarHBondContact SG-SG 3.25Å |
| 1071 | Q | 67.8 | Low | 70.7 | Confident | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -33 | 178.5 | -58.4 | -65.5 | 8.4 | 0 | 0 | 112.4 | Q1069 C1073 | Q1069-Q1071 PolarHBondContact O-N 2.96Å; Q1071-C1073 PolarHBondContact O-N 3.17Å |
| 1072 | A | 61 | Low | 70.1 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C1070 T1086 | C1070-A1072 VanDerWaalsContact C-N 3.28Å; C1070-A1072 PolarHBondContact O-N 3.47Å; C1070-A1072 PolarHBondContact SG-N 3.18Å; A1072-T1086 HydrophobicContact CB-CG2 3.64Å |
| 1073 | C | 69.2 | Low | 69.2 | Low | 32 Ų | 32 | 50.8 Ų | 50.8 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 3.4 | 174 | 63.9 | 0 | 0 | 0 | 0 | 114.5 | C1070 Q1071 L1075 C1083 T1085 | C1070-C1073 PolarHBondContact O-N 3.29Å; Q1071-C1073 PolarHBondContact O-N 3.17Å; C1073-L1075 HydrophobicContact CB-CD1 4.5Å; C1073-L1075 HydrophobicContact CB-CG 4.12Å; C1073-L1075 PolarHBondContact O-N 2.87Å; C1073-L1075 VanDerWaalsContact O-N 3.16Å; C1073-L1075 VanDerWaalsContact SG-CB 3.54Å; C1073-L1075 WeakPolarHBondContact SG-CG 3.45Å; C1073-C1083 PolarHBondContact SG-SG 2.67Å; C1073-T1085 HydrophobicContact CB-CG2 4.09Å; C1073-T1085 VanDerWaalsContact CB-OG1 3.3Å; C1073-T1085 WeakPolarHBondContact CB-OG1 3.18Å |
| 1074 | N | 64.7 | Low | 68.3 | Low | 96 Ų | 96 | 53.5 Ų | 53.5 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 27.5 | -175.7 | -70 | -79.9 | 0 | 0 | 0 | 114.3 | Q1069 C1070 | Q1069-N1074 PolarHBondContact NE2-O 2.73Å; C1070-N1074 WeakPolarHBondContact O-CA 3.1Å; C1070-N1074 PolarHBondContact O-N 2.71Å |
| 1075 | L | 63.9 | Low | 67.1 | Low | 33 Ų | 33 | 50 Ų | 50 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.1 | 179.3 | -59.7 | -172.1 | 0 | 0 | 0 | 111.9 | Q1069 C1070 C1073 R1339 | Q1069-L1075 CarbonylContact C-O 3.57Å; Q1069-L1075 WeakPolarHBondContact CA-O 3.28Å; C1070-L1075 PolarHBondContact N-O 2.93Å; C1073-L1075 HydrophobicContact CB-CD1 4.5Å; C1073-L1075 HydrophobicContact CB-CG 4.12Å; C1073-L1075 PolarHBondContact O-N 2.87Å; C1073-L1075 VanDerWaalsContact O-N 3.16Å; C1073-L1075 VanDerWaalsContact SG-CB 3.54Å; C1073-L1075 WeakPolarHBondContact SG-CG 3.45Å; L1075-R1339 WeakPolarHBondContact CD1-O 3.13Å; L1075-R1339 HydrophobicContact CD2-CB 3.48Å; L1075-R1339 VanDerWaalsContact CD2-CB 3.48Å; L1075-R1339 WeakPolarHBondContact CD2-O 3.45Å |
| 1076 | T | 66.2 | Low | 65.6 | Low | 53 Ų | 53 | 51.6 Ų | 51.6 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 137.3 | 177.2 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | V493 P1068 Q1069 R1339 | V493-T1076 HydrophobicContact CG1-CG2 4.1Å; P1068-T1076 CarbonylContact O-C 3.59Å; P1068-T1076 WeakPolarHBondContact O-CA 3.46Å; Q1069-T1076 HydrophobicContact CB-CG2 4.03Å; Q1069-T1076 HydrophobicContact CG-CG2 4.12Å; T1076-R1339 PolarHBondContact OG1-NH1 2.94Å |
| 1077 | G | 69.2 | Low | 63.9 | Low | 42 Ų | 42 | 53.8 Ų | 53.8 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.5 | -2.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1068 | P1068-G1077 PolarHBondContact O-N 2.91Š|
| 1078 | H | 73.8 | Confident | 61.9 | Low | 50 Ų | 50 | 49.6 Ų | 49.6 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -157.6 | 156.4 | 178 | 60 | -91.7 | 0 | 0 | 0 | 112.1 | P1068 C1070 Q1082 C1083 | P1068-H1078 PolarHBondContact O-N 2.97Å; C1070-H1078 WeakPolarHBondContact CB-NE2 3.3Å; C1070-H1078 PolarHBondContact N-O 3.25Å; C1070-H1078 VanDerWaalsContact N-O 3.14Å; H1078-Q1082 HydrophobicContact CB-CB 4.27Å; H1078-C1083 PolarHBondContact NE2-SG 2.92Å |
| 1079 | R | 64.7 | Low | 60.1 | Low | 54 Ų | 54 | 55.6 Ų | 55.6 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | trans | -83.4 | 162.8 | 179.9 | -60.5 | 178.8 | 165.6 | -62.5 | -23.9 | 112.2 | E351 N352 P1068 S1081 Q1082 C1083 | E351-R1079 VanDerWaalsContact C-NH2 3.31Å; E351-R1079 PolarHBondContact O-NH1 3.08Å; E351-R1079 PolarHBondContact O-NH2 3.49Å; N352-R1079 PolarHBondContact OD1-NH2 3.17Å; P1068-R1079 HydrophobicContact CB-CG 4.42Å; P1068-R1079 HydrophobicContact CG-CG 4.46Å; R1079-S1081 PolarHBondContact O-N 3.17Å; R1079-Q1082 HydrophobicContact CB-CB 4.27Å; R1079-Q1082 HydrophobicContact CB-CG 4.07Å; R1079-Q1082 VanDerWaalsContact CG-OE1 3.28Å; R1079-Q1082 CarbonylContact O-C 3.56Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.48Å; R1079-Q1082 WeakPolarHBondContact O-CB 3.34Å; R1079-Q1082 PolarHBondContact O-N 2.83Å; R1079-C1083 VanDerWaalsContact O-CB 3.24Å; R1079-C1083 WeakPolarHBondContact O-CB 3.29Å; R1079-C1083 PolarHBondContact O-N 3.01Å | ||
| 1080 | Q | 63.7 | Low | 58.5 | Low | 38 Ų | 38 | 59.3 Ų | 59.3 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -53.8 | -51.7 | 171.2 | -170.2 | 173.5 | -26.8 | 0 | 0 | 112.1 | P172 Q1082 C1083 T1086 | P172-Q1080 PolarHBondContact O-NE2 3.21Å; Q1080-Q1082 PolarHBondContact O-N 3.24Å; Q1080-C1083 WeakPolarHBondContact O-CB 3.5Å; Q1080-C1083 PolarHBondContact O-N 2.97Å; Q1080-T1086 HydrophobicContact CB-CG2 4.35Å; Q1080-T1086 HydrophobicContact CG-CG2 3.29Å; Q1080-T1086 WeakPolarHBondContact O-CG2 3.34Å |
| 1081 | S | 59.7 | Low | 57.3 | Low | 64 Ų | 64 | 62.2 Ų | 62.2 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -56.8 | -14.7 | 171.5 | 42.5 | 0 | 0 | 0 | 0 | 116.4 | D291 R1079 | D291-S1081 VanDerWaalsContact OD1-CB 3.25Å; D291-S1081 WeakPolarHBondContact OD1-CB 3.44Å; D291-S1081 WeakPolarHBondContact OD2-CB 3.37Å; D291-S1081 PolarHBondContact OD2-N 2.84Å; D291-S1081 PolarHBondContact OD2-OG 3.23Å; R1079-S1081 PolarHBondContact O-N 3.17Å |
| 1082 | Q | 64.4 | Low | 56.3 | Low | 118 Ų | 118 | 61.9 Ų | 61.9 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -109.1 | 0.7 | 177.8 | -60.5 | 170.7 | -33.7 | 0 | 0 | 112.4 | H1078 R1079 Q1080 E1084 | H1078-Q1082 HydrophobicContact CB-CB 4.27Å; R1079-Q1082 HydrophobicContact CB-CB 4.27Å; R1079-Q1082 HydrophobicContact CB-CG 4.07Å; R1079-Q1082 VanDerWaalsContact CG-OE1 3.28Å; R1079-Q1082 CarbonylContact O-C 3.56Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.48Å; R1079-Q1082 WeakPolarHBondContact O-CB 3.34Å; R1079-Q1082 PolarHBondContact O-N 2.83Å; Q1080-Q1082 PolarHBondContact O-N 3.24Å; Q1082-E1084 PolarHBondContact O-N 3.3Å |
| 1083 | C | 59.3 | Low | 56 | Low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | trans | -91.9 | 107.5 | -167.4 | -167 | 0 | 0 | 0 | 0 | 109.4 | C1070 C1073 H1078 R1079 Q1080 T1085 T1086 | C1070-C1083 HydrophobicContact CB-CB 3.8Å; C1070-C1083 WeakPolarHBondContact CB-SG 3.39Å; C1070-C1083 WeakPolarHBondContact SG-CB 3.09Å; C1070-C1083 CovalentContact SG-SG 2.03Å; C1070-C1083 PolarHBondContact SG-SG 3.25Å; C1073-C1083 PolarHBondContact SG-SG 2.67Å; H1078-C1083 PolarHBondContact NE2-SG 2.92Å; R1079-C1083 VanDerWaalsContact O-CB 3.24Å; R1079-C1083 WeakPolarHBondContact O-CB 3.29Å; R1079-C1083 PolarHBondContact O-N 3.01Å; Q1080-C1083 WeakPolarHBondContact O-CB 3.5Å; Q1080-C1083 PolarHBondContact O-N 2.97Å; C1083-T1085 PolarHBondContact O-N 2.69Å; C1083-T1085 PolarHBondContact SG-OG1 2.85Å; C1083-T1086 HydrophobicContact CB-CG2 4Å; C1083-T1086 PolarHBondContact O-N 3.27Å; C1083-T1086 PolarHBondContact O-OG1 3.44Å | ||
| 1084 | E | 58.2 | Low | 55.4 | Low | 103 Ų | 103 | 64.8 Ų | 64.8 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -2.7 | -175.4 | -57.3 | -167.5 | 159.6 | 0 | 0 | 114.2 | Q1082 G1359 | Q1082-E1084 PolarHBondContact O-N 3.3Å; E1084-G1359 WeakPolarHBondContact OE2-CA 3.32Å |
| 1085 | T | 52.8 | Low | 55.2 | Low | 17 Ų | 17 | 62.6 Ų | 62.6 | 10% | 0.104 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -10.1 | 171.4 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | C1073 C1083 S1087 D1088 H1360 | C1073-T1085 HydrophobicContact CB-CG2 4.09Å; C1073-T1085 VanDerWaalsContact CB-OG1 3.3Å; C1073-T1085 WeakPolarHBondContact CB-OG1 3.18Å; C1083-T1085 PolarHBondContact O-N 2.69Å; C1083-T1085 PolarHBondContact SG-OG1 2.85Å; T1085-S1087 PolarHBondContact O-N 3.38Å; T1085-S1087 VanDerWaalsContact O-N 3.07Å; T1085-D1088 CarbonylContact O-C 3.6Å; T1085-D1088 PolarHBondContact O-N 3.02Å; T1085-H1360 HydrophobicContact CG2-CB 3.94Å |
| 1086 | T | 44.2 | Very low | 55.4 | Low | 69 Ų | 69 | 62.1 Ų | 62.1 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.2 | -179.8 | 35.7 | 0 | 0 | 0 | 0 | 113.4 | A1072 Q1080 C1083 | A1072-T1086 HydrophobicContact CB-CG2 3.64Å; Q1080-T1086 HydrophobicContact CB-CG2 4.35Å; Q1080-T1086 HydrophobicContact CG-CG2 3.29Å; Q1080-T1086 WeakPolarHBondContact O-CG2 3.34Å; C1083-T1086 HydrophobicContact CB-CG2 4Å; C1083-T1086 PolarHBondContact O-N 3.27Å; C1083-T1086 PolarHBondContact O-OG1 3.44Å |
| 1087 | S | 44.6 | Very low | 55.6 | Low | 59 Ų | 59 | 63.5 Ų | 63.5 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 0.8 | -177.2 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | T1085 R1408 | T1085-S1087 PolarHBondContact O-N 3.38Å; T1085-S1087 VanDerWaalsContact O-N 3.07Å; S1087-R1408 VanDerWaalsContact CB-CZ 3.43Å; S1087-R1408 VanDerWaalsContact CB-NH1 3.3Å; S1087-R1408 PolarHBondContact O-NH2 3.14Å; S1087-R1408 PolarHBondContact OG-NE 2.98Å; S1087-R1408 VanDerWaalsContact OG-NE 3.17Å; S1087-R1408 PolarHBondContact OG-NH1 2.96Å; S1087-R1408 PolarHBondContact OG-NH2 3.36Å |
| 1088 | D | 37.3 | Very low | 55.9 | Low | 36 Ų | 36 | 68.3 Ų | 68.3 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -144.8 | 99.7 | -174.9 | -67.7 | -60.8 | 0 | 0 | 0 | 108.8 | T1085 S1090 R1408 | T1085-D1088 CarbonylContact O-C 3.6Å; T1085-D1088 PolarHBondContact O-N 3.02Å; D1088-S1090 PolarHBondContact O-N 3.12Å; D1088-R1408 IonicContact OD1-CZ 2.77Å; D1088-R1408 IonicContact OD1-NE 2.63Å; D1088-R1408 IonicContact OD1-NH2 2.85Å; D1088-R1408 PolarHBondContact OD1-NH2 3.18Å; D1088-R1408 IonicContact OD2-CZ 3.82Å; D1088-R1408 VanDerWaalsContact OD2-CZ 3.22Å; D1088-R1408 IonicContact OD2-NE 2.74Å; D1088-R1408 PolarHBondContact OD2-NE 3.3Å; D1088-R1408 IonicContact OD2-NH2 3.2Å; D1088-R1408 PolarHBondContact OD2-NH2 3.02Å |
| 1089 | K | 35.7 | Very low | 56.1 | Low | 143 Ų | 143 | 68.4 Ų | 68.4 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | trans | -49.6 | 139.5 | 172.2 | -66.2 | -167.7 | -178.5 | -162.1 | 0 | 109.4 | D176 V1091 | D176-K1089 IonicContact OD1-NZ 3.22Å; D176-K1089 PolarHBondContact OD1-NZ 2.94Å; D176-K1089 WeakPolarHBondContact OD2-CE 3.32Å; D176-K1089 IonicContact OD2-NZ 3.81Å; D176-K1089 PolarHBondContact OD2-NZ 3.47Å; K1089-V1091 PolarHBondContact O-N 2.79Å | ||
| 1090 | S | 37.7 | Very low | 56.9 | Low | 104 Ų | 104 | 68.2 Ų | 68.2 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | trans | -51.5 | 107.3 | -178.6 | 55 | 0 | 0 | 0 | 0 | 110.5 | D1088 S1092 | D1088-S1090 PolarHBondContact O-N 3.12Å; S1090-S1092 PolarHBondContact O-N 3.08Å | ||
| 1091 | V | 45.3 | Very low | 57.6 | Low | 61 Ų | 61 | 73.5 Ų | 73.5 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | trans | -61.9 | 104.1 | -173.6 | 175.2 | 0 | 0 | 0 | 0 | 109 | K1089 F1093 A1095 L1364 | K1089-V1091 PolarHBondContact O-N 2.79Å; V1091-F1093 PolarHBondContact O-N 3.4Å; V1091-A1095 HydrophobicContact CG1-CB 4.31Å; V1091-L1364 HydrophobicContact CB-CD2 3.82Å; V1091-L1364 HydrophobicContact CG1-CD2 4.23Å; V1091-L1364 HydrophobicContact CG2-CD1 3.72Å; V1091-L1364 HydrophobicContact CG2-CD2 3.61Å; V1091-L1364 HydrophobicContact CG2-CG 4.3Å | ||
| 1092 | S | 47.4 | Very low | 58.4 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | trans | -61.5 | 135 | -177.2 | 67.6 | 0 | 0 | 0 | 0 | 109 | S1090 L1094 A1095 | S1090-S1092 PolarHBondContact O-N 3.08Å; S1092-L1094 PolarHBondContact O-N 2.85Å; S1092-A1095 WeakPolarHBondContact O-CB 3.43Å; S1092-A1095 PolarHBondContact O-N 3.32Å | ||
| 1093 | F | 53.9 | Low | 59.3 | Low | 36 Ų | 36 | 73.3 Ų | 73.3 | 16% | 0.158 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.3 | -16.5 | -177.9 | -159.8 | -120.3 | 0 | 0 | 0 | 112.4 | V1091 A1095 W1096 H1097 L1313 H1318 | V1091-F1093 PolarHBondContact O-N 3.4Å; F1093-A1095 PolarHBondContact O-N 3.11Å; F1093-W1096 HydrophobicContact CD2-CB 4.14Å; F1093-W1096 HydrophobicContact CE2-CB 4.27Å; F1093-W1096 PolarHBondContact O-N 2.89Å; F1093-W1096 VanDerWaalsContact O-N 3.09Å; F1093-H1097 AromaticContact CD1-CD2 3.51Å; F1093-H1097 AromaticContact CD1-CE1 3.99Å; F1093-H1097 AromaticContact CD1-NE2 3.3Å; F1093-H1097 VanDerWaalsContact CD1-NE2 3.3Å; F1093-H1097 WeakPolarHBondContact CD1-NE2 3.36Å; F1093-H1097 AromaticContact CE1-CD2 3.95Å; F1093-H1097 AromaticContact CE1-CE1 3.63Å; F1093-H1097 AromaticContact CE1-NE2 3.4Å; F1093-H1097 WeakPolarHBondContact CE1-NE2 3.39Å; F1093-H1097 PolarHBondContact O-N 3.46Å; F1093-L1313 VanDerWaalsContact CE2-O 3.29Å; F1093-L1313 WeakPolarHBondContact CE2-O 3.47Å; F1093-L1313 WeakPolarHBondContact CZ-O 3.18Å; F1093-H1318 AromaticContact CD2-CE1 3.7Å; F1093-H1318 AromaticContact CE2-CE1 3.73Å |
| 1094 | L | 56.4 | Low | 60.1 | Low | 110 Ų | 110 | 75.6 Ų | 75.6 | 58% | 0.576 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54 | -35.2 | 167.3 | -161.3 | 71.5 | 0 | 0 | 0 | 113.1 | S1092 K1098 | S1092-L1094 PolarHBondContact O-N 2.85Å; L1094-K1098 VanDerWaalsContact O-CG 3.29Å; L1094-K1098 WeakPolarHBondContact O-CG 3.32Å; L1094-K1098 PolarHBondContact O-N 3.05Å; L1094-K1098 VanDerWaalsContact O-N 3.07Å |
| 1095 | A | 60.9 | Low | 61.3 | Low | 49 Ų | 49 | 75.3 Ų | 75.3 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1091 S1092 F1093 | V1091-A1095 HydrophobicContact CG1-CB 4.31Å; S1092-A1095 WeakPolarHBondContact O-CB 3.43Å; S1092-A1095 PolarHBondContact O-N 3.32Å; F1093-A1095 PolarHBondContact O-N 3.11Å |
| 1096 | W | 68 | Low | 62.5 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 9% | 0.087 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -75.2 | -40.3 | 175.8 | -70.1 | 98.8 | 0 | 0 | 0 | 111.9 | F1093 K1098 L1099 L1313 F1314 L1367 H1371 | F1093-W1096 HydrophobicContact CD2-CB 4.14Å; F1093-W1096 HydrophobicContact CE2-CB 4.27Å; F1093-W1096 PolarHBondContact O-N 2.89Å; F1093-W1096 VanDerWaalsContact O-N 3.09Å; W1096-K1098 VanDerWaalsContact C-N 3.26Å; W1096-K1098 PolarHBondContact O-N 2.77Å; W1096-L1099 HydrophobicContact CE3-CD1 3.75Å; W1096-L1099 HydrophobicContact CZ3-CD1 3.83Å; W1096-L1099 WeakPolarHBondContact O-CA 3.18Å; W1096-L1099 WeakPolarHBondContact O-CB 3.4Å; W1096-L1099 PolarHBondContact O-N 2.96Å; W1096-L1313 HydrophobicContact CE3-CD2 4.36Å; W1096-L1313 HydrophobicContact CZ3-CD2 4.46Å; W1096-F1314 WeakPolarHBondContact O-CE1 3.49Å; W1096-L1367 HydrophobicContact CD2-CB 4.37Å; W1096-L1367 HydrophobicContact CD2-CD1 4.42Å; W1096-L1367 HydrophobicContact CE3-CB 4.37Å; W1096-L1367 HydrophobicContact CH2-CB 3.59Å; W1096-L1367 HydrophobicContact CZ2-CB 3.51Å; W1096-L1367 HydrophobicContact CZ2-CD1 4.16Å; W1096-L1367 HydrophobicContact CZ3-CB 4.01Å; W1096-H1371 HydrophobicContact CZ3-CB 4.08Å |
| 1097 | H | 70.5 | Confident | 64.2 | Low | 82 Ų | 82 | 77 Ų | 77 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.2 | -35.2 | 170.9 | -82.3 | -51.5 | 0 | 0 | 0 | 112.6 | F1093 L1099 L1100 F1314 | F1093-H1097 AromaticContact CD1-CD2 3.51Å; F1093-H1097 AromaticContact CD1-CE1 3.99Å; F1093-H1097 AromaticContact CD1-NE2 3.3Å; F1093-H1097 VanDerWaalsContact CD1-NE2 3.3Å; F1093-H1097 WeakPolarHBondContact CD1-NE2 3.36Å; F1093-H1097 AromaticContact CE1-CD2 3.95Å; F1093-H1097 AromaticContact CE1-CE1 3.63Å; F1093-H1097 AromaticContact CE1-NE2 3.4Å; F1093-H1097 WeakPolarHBondContact CE1-NE2 3.39Å; F1093-H1097 PolarHBondContact O-N 3.46Å; H1097-L1099 PolarHBondContact O-N 2.85Å; H1097-L1100 WeakPolarHBondContact O-CB 3.43Å; H1097-L1100 PolarHBondContact O-N 2.8Å; H1097-F1314 PolarHBondContact CE1-O 2.93Å |
| 1098 | K | 74.9 | Confident | 66.1 | Low | 144 Ų | 144 | 79.1 Ų | 79.1 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.7 | -17.5 | 172.3 | -76.3 | 172.4 | -179.1 | -175 | 0 | 113.8 | L1094 W1096 | L1094-K1098 VanDerWaalsContact O-CG 3.29Å; L1094-K1098 WeakPolarHBondContact O-CG 3.32Å; L1094-K1098 PolarHBondContact O-N 3.05Å; L1094-K1098 VanDerWaalsContact O-N 3.07Å; W1096-K1098 VanDerWaalsContact C-N 3.26Å; W1096-K1098 PolarHBondContact O-N 2.77Å |
| 1099 | L | 78.9 | Confident | 68.4 | Low | 52 Ų | 52 | 81 Ų | 81 | 27% | 0.272 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -86.8 | -15.5 | 171.8 | -61.3 | 177.3 | 0 | 0 | 0 | 113.6 | W1096 H1097 N1101 K1102 T1103 | W1096-L1099 HydrophobicContact CE3-CD1 3.75Å; W1096-L1099 HydrophobicContact CZ3-CD1 3.83Å; W1096-L1099 WeakPolarHBondContact O-CA 3.18Å; W1096-L1099 WeakPolarHBondContact O-CB 3.4Å; W1096-L1099 PolarHBondContact O-N 2.96Å; H1097-L1099 PolarHBondContact O-N 2.85Å; L1099-N1101 VanDerWaalsContact C-N 3.31Å; L1099-N1101 PolarHBondContact O-N 3.43Å; L1099-K1102 HydrophobicContact CD2-CD 4.42Å; L1099-K1102 CarbonylContact O-C 3.58Å; L1099-K1102 WeakPolarHBondContact O-CA 3.46Å; L1099-K1102 PolarHBondContact O-N 3.34Å; L1099-T1103 PolarHBondContact O-N 2.83Å; L1099-T1103 VanDerWaalsContact O-N 3.13Å; L1099-T1103 PolarHBondContact O-OG1 3.13Å |
| 1100 | L | 81 | Confident | 70.7 | Confident | 50 Ų | 50 | 78 Ų | 78 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 176 | -177.1 | 62.1 | 0 | 0 | 0 | 110.5 | H1097 K1102 T1103 F1314 | H1097-L1100 WeakPolarHBondContact O-CB 3.43Å; H1097-L1100 PolarHBondContact O-N 2.8Å; L1100-K1102 PolarHBondContact O-N 3.32Å; L1100-K1102 VanDerWaalsContact O-N 3.11Å; L1100-T1103 PolarHBondContact O-N 2.93Å; L1100-F1314 HydrophobicContact CB-CD1 4.1Å; L1100-F1314 HydrophobicContact CB-CE1 4.05Å; L1100-F1314 HydrophobicContact CD1-CB 4.39Å; L1100-F1314 HydrophobicContact CD1-CD1 4.18Å; L1100-F1314 HydrophobicContact CD1-CD2 3.82Å; L1100-F1314 HydrophobicContact CD1-CE1 4.39Å; L1100-F1314 HydrophobicContact CD1-CE2 4.04Å; L1100-F1314 HydrophobicContact CD1-CG 3.88Å; L1100-F1314 HydrophobicContact CD1-CZ 4.31Å |
| 1101 | N | 78.1 | Confident | 72.9 | Confident | 149 Ų | 149 | 73.8 Ų | 73.8 | 80% | 0.797 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -10.3 | 177.3 | -61.4 | 5.9 | 0 | 0 | 0 | 113.9 | L1099 | L1099-N1101 VanDerWaalsContact C-N 3.31Å; L1099-N1101 PolarHBondContact O-N 3.43Å |
| 1102 | K | 77 | Confident | 74.9 | Confident | 165 Ų | 165 | 72.1 Ų | 72.1 | 72% | 0.717 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 3 | 176.8 | -60.5 | -173 | 179.5 | -176.3 | 0 | 112.8 | L1099 L1100 | L1099-K1102 HydrophobicContact CD2-CD 4.42Å; L1099-K1102 CarbonylContact O-C 3.58Å; L1099-K1102 WeakPolarHBondContact O-CA 3.46Å; L1099-K1102 PolarHBondContact O-N 3.34Å; L1100-K1102 PolarHBondContact O-N 3.32Å; L1100-K1102 VanDerWaalsContact O-N 3.11Å |
| 1103 | T | 82.3 | Confident | 76.8 | Confident | 12 Ų | 12 | 75.4 Ų | 75.4 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -102.1 | 124.6 | -177.8 | -57.2 | 0 | 0 | 0 | 0 | 109 | L1099 L1100 W1105 H1371 L1374 V1375 | L1099-T1103 PolarHBondContact O-N 2.83Å; L1099-T1103 VanDerWaalsContact O-N 3.13Å; L1099-T1103 PolarHBondContact O-OG1 3.13Å; L1100-T1103 PolarHBondContact O-N 2.93Å; T1103-W1105 PolarHBondContact O-N 3.11Å; T1103-H1371 PolarHBondContact OG1-NE2 2.93Å; T1103-L1374 HydrophobicContact CG2-CD2 3.74Å; T1103-L1374 HydrophobicContact CG2-CG 3.98Å; T1103-V1375 HydrophobicContact CG2-CG2 4.26Å |
| 1104 | P | 76.5 | Confident | 78.2 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | trans | -63.1 | 111.5 | -179.2 | -21.8 | 33.4 | 0 | 0 | 0 | 111.1 | T1378 T1379 | P1104-T1378 PolarHBondContact O-OG1 3.29Å; P1104-T1379 HydrophobicContact CG-CG2 3.82Å | ||
| 1105 | W | 83 | Confident | 79.8 | Confident | 97 Ų | 97 | 70.8 Ų | 70.8 | 37% | 0.367 | 37% | 0.369 | S | S | . | . | trans | -156 | 141 | -178.2 | -164.3 | -87.8 | 0 | 0 | 0 | 111.1 | T1103 P1107 L1306 R1310 L1374 | T1103-W1105 PolarHBondContact O-N 3.11Å; W1105-P1107 HydrophobicContact CZ3-CG 4.39Å; W1105-L1306 HydrophobicContact CH2-CB 4.41Å; W1105-L1306 HydrophobicContact CZ3-CB 4.07Å; W1105-R1310 VanDerWaalsContact CD1-NH1 3.32Å; W1105-R1310 VanDerWaalsContact CZ2-CD 3.44Å; W1105-R1310 HydrophobicContact CZ3-CB 4.36Å; W1105-L1374 HydrophobicContact CZ3-CD1 4.38Å | ||
| 1106 | P | 78.8 | Confident | 81.2 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | S | Bend | cis | -69.6 | 150.6 | -7.8 | 30.9 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 1107 | P | 79.7 | Confident | 82.1 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 151 | 171.4 | 28.3 | -34.3 | 0 | 0 | 0 | 111.4 | W1105 I1112 L1306 T1378 | W1105-P1107 HydrophobicContact CZ3-CG 4.39Å; P1107-I1112 HydrophobicContact CB-CG1 4.23Å; P1107-I1112 HydrophobicContact CG-CD1 4.09Å; P1107-I1112 HydrophobicContact CG-CG1 4Å; P1107-L1306 HydrophobicContact CB-CD1 4.1Å; P1107-L1306 HydrophobicContact CG-CD1 3.9Å; P1107-T1378 HydrophobicContact CB-CG2 4.23Å |
| 1108 | I | 84.3 | Confident | 82.7 | Confident | 103 Ų | 103 | 70.3 Ų | 70.3 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 145.1 | -179.5 | -54.7 | 171.9 | 0 | 0 | 0 | 109.4 | E1110 Q1111 I1112 | I1108-E1110 VanDerWaalsContact C-N 3.3Å; I1108-E1110 HydrophobicContact CG2-CB 4.46Å; I1108-E1110 PolarHBondContact O-N 2.96Å; I1108-Q1111 HydrophobicContact CB-CG 4.16Å; I1108-Q1111 WeakPolarHBondContact O-CA 3.38Å; I1108-Q1111 VanDerWaalsContact O-CB 3.3Å; I1108-Q1111 WeakPolarHBondContact O-CB 3.39Å; I1108-Q1111 PolarHBondContact O-N 2.85Å; I1108-I1112 PolarHBondContact O-N 2.99Å; I1108-I1112 VanDerWaalsContact O-N 3.12Å |
| 1109 | A | 86 | Confident | 83.4 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -52.7 | -42.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1111 I1112 E1113 | A1109-Q1111 PolarHBondContact O-N 3.33Å; A1109-I1112 PolarHBondContact O-N 3.46Å; A1109-I1112 VanDerWaalsContact O-N 3.15Å; A1109-E1113 PolarHBondContact O-N 3.38Å |
| 1110 | E | 84 | Confident | 83.9 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.9 | -35.5 | 173.8 | -178.7 | 177.3 | -161.7 | 0 | 0 | 111.9 | I1108 N1114 K1383 | I1108-E1110 VanDerWaalsContact C-N 3.3Å; I1108-E1110 HydrophobicContact CG2-CB 4.46Å; I1108-E1110 PolarHBondContact O-N 2.96Å; E1110-N1114 WeakPolarHBondContact O-CB 3.44Å; E1110-N1114 PolarHBondContact O-N 3.26Å; E1110-N1114 VanDerWaalsContact O-N 3.14Å; E1110-N1114 PolarHBondContact O-ND2 3.04Å; E1110-K1383 WeakPolarHBondContact OE1-CE 3.24Å; E1110-K1383 IonicContact OE1-NZ 3.56Å; E1110-K1383 PolarHBondContact OE1-NZ 2.81Å; E1110-K1383 IonicContact OE2-NZ 3.51Å; E1110-K1383 PolarHBondContact OE2-NZ 3.03Å |
| 1111 | Q | 83.2 | Confident | 84.1 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.8 | -41 | 178.2 | -59.6 | 173 | -52.4 | 0 | 0 | 111.7 | I1108 A1109 E1113 L1115 T1378 L1381 | I1108-Q1111 HydrophobicContact CB-CG 4.16Å; I1108-Q1111 WeakPolarHBondContact O-CA 3.38Å; I1108-Q1111 VanDerWaalsContact O-CB 3.3Å; I1108-Q1111 WeakPolarHBondContact O-CB 3.39Å; I1108-Q1111 PolarHBondContact O-N 2.85Å; A1109-Q1111 PolarHBondContact O-N 3.33Å; Q1111-E1113 VanDerWaalsContact C-N 3.34Å; Q1111-E1113 PolarHBondContact O-N 2.83Å; Q1111-L1115 WeakPolarHBondContact O-CB 3.19Å; Q1111-L1115 PolarHBondContact O-N 3.37Å; Q1111-T1378 PolarHBondContact NE2-O 3.22Å; Q1111-T1378 PolarHBondContact OE1-O 3.13Å; Q1111-L1381 HydrophobicContact CG-CD2 3.71Å; Q1111-L1381 HydrophobicContact CG-CG 4.43Å |
| 1112 | I | 88.9 | Confident | 84.3 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.8 | -61.5 | 172.6 | 0 | 0 | 0 | 110.6 | P1107 I1108 A1109 T1116 P1300 E1303 | P1107-I1112 HydrophobicContact CB-CG1 4.23Å; P1107-I1112 HydrophobicContact CG-CD1 4.09Å; P1107-I1112 HydrophobicContact CG-CG1 4Å; I1108-I1112 PolarHBondContact O-N 2.99Å; I1108-I1112 VanDerWaalsContact O-N 3.12Å; A1109-I1112 PolarHBondContact O-N 3.46Å; A1109-I1112 VanDerWaalsContact O-N 3.15Å; I1112-T1116 VanDerWaalsContact O-CB 3.3Å; I1112-T1116 WeakPolarHBondContact O-CB 3.46Å; I1112-T1116 PolarHBondContact O-N 3.47Å; I1112-T1116 PolarHBondContact O-OG1 3.13Å; I1112-P1300 HydrophobicContact CG2-CB 3.82Å; I1112-P1300 HydrophobicContact CG2-CG 3.97Å; I1112-E1303 HydrophobicContact CD1-CG 4.48Å; I1112-E1303 HydrophobicContact CG2-CB 3.94Å |
| 1113 | E | 87.3 | Confident | 84.7 | Confident | 142 Ų | 142 | 48.9 Ų | 48.9 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -53.5 | 177.9 | -175.3 | 179.6 | -176.4 | 0 | 0 | 111.5 | A1109 Q1111 L1115 T1116 H1117 | A1109-E1113 PolarHBondContact O-N 3.38Å; Q1111-E1113 VanDerWaalsContact C-N 3.34Å; Q1111-E1113 PolarHBondContact O-N 2.83Å; E1113-L1115 VanDerWaalsContact C-N 3.33Å; E1113-L1115 PolarHBondContact O-N 3.42Å; E1113-T1116 WeakPolarHBondContact O-CB 3.2Å; E1113-T1116 PolarHBondContact O-N 2.9Å; E1113-T1116 VanDerWaalsContact O-N 3.16Å; E1113-H1117 PolarHBondContact O-N 3.49Å |
| 1114 | N | 83.6 | Confident | 84.7 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 178.6 | -82.2 | -67.1 | 0 | 0 | 0 | 112.4 | E1110 H1117 C1118 P1382 W1390 | E1110-N1114 WeakPolarHBondContact O-CB 3.44Å; E1110-N1114 PolarHBondContact O-N 3.26Å; E1110-N1114 VanDerWaalsContact O-N 3.14Å; E1110-N1114 PolarHBondContact O-ND2 3.04Å; N1114-H1117 PolarHBondContact O-N 3.41Å; N1114-C1118 PolarHBondContact O-N 3.48Å; N1114-C1118 PolarHBondContact O-SG 3.44Å; N1114-P1382 HydrophobicContact CB-CG 3.75Å; N1114-W1390 HydrophobicContact CB-CH2 4.03Å; N1114-W1390 HydrophobicContact CB-CZ3 4.34Å; N1114-W1390 WeakPolarHBondContact OD1-CH2 3.24Å |
| 1115 | L | 88 | Confident | 84.8 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.1 | 179.1 | 60.5 | 0 | 0 | 0 | 111.7 | Q1111 E1113 H1117 C1118 L1119 L1306 H1377 L1394 | Q1111-L1115 WeakPolarHBondContact O-CB 3.19Å; Q1111-L1115 PolarHBondContact O-N 3.37Å; E1113-L1115 VanDerWaalsContact C-N 3.33Å; E1113-L1115 PolarHBondContact O-N 3.42Å; L1115-H1117 VanDerWaalsContact C-N 3.34Å; L1115-H1117 PolarHBondContact O-N 3.35Å; L1115-C1118 WeakPolarHBondContact O-CB 3.47Å; L1115-C1118 PolarHBondContact O-N 3.03Å; L1115-L1119 HydrophobicContact CD1-CD1 4.25Å; L1115-L1119 HydrophobicContact CD1-CD2 4.45Å; L1115-L1119 HydrophobicContact CD1-CG 4.17Å; L1115-L1119 HydrophobicContact CG-CD1 4.14Å; L1115-L1119 HydrophobicContact CG-CG 4.46Å; L1115-L1119 VanDerWaalsContact O-CG 3.31Å; L1115-L1119 WeakPolarHBondContact O-CG 3.33Å; L1115-L1119 PolarHBondContact O-N 2.88Å; L1115-L1306 HydrophobicContact CD2-CD1 3.66Å; L1115-L1306 HydrophobicContact CD2-CD2 3.86Å; L1115-L1306 HydrophobicContact CD2-CG 3.61Å; L1115-H1377 HydrophobicContact CD2-CB 4.3Å; L1115-L1394 HydrophobicContact CD1-CD1 4.19Å; L1115-L1394 HydrophobicContact CD1-CD2 3.95Å |
| 1116 | T | 91 | Very high | 84.5 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | I1112 E1113 C1118 L1119 N1120 P1300 V1301 G1302 | I1112-T1116 VanDerWaalsContact O-CB 3.3Å; I1112-T1116 WeakPolarHBondContact O-CB 3.46Å; I1112-T1116 PolarHBondContact O-N 3.47Å; I1112-T1116 PolarHBondContact O-OG1 3.13Å; E1113-T1116 WeakPolarHBondContact O-CB 3.2Å; E1113-T1116 PolarHBondContact O-N 2.9Å; E1113-T1116 VanDerWaalsContact O-N 3.16Å; T1116-C1118 VanDerWaalsContact C-N 3.32Å; T1116-C1118 PolarHBondContact O-N 2.93Å; T1116-L1119 PolarHBondContact O-N 2.95Å; T1116-N1120 VanDerWaalsContact O-CG 3.3Å; T1116-N1120 PolarHBondContact O-N 3.26Å; T1116-N1120 VanDerWaalsContact O-N 3.17Å; T1116-N1120 PolarHBondContact O-OD1 2.97Å; T1116-P1300 HydrophobicContact CG2-CB 4.23Å; T1116-P1300 VanDerWaalsContact OG1-CB 3.28Å; T1116-P1300 WeakPolarHBondContact OG1-CB 3.45Å; T1116-V1301 HydrophobicContact CG2-CB 4.05Å; T1116-V1301 HydrophobicContact CG2-CG2 4.14Å; T1116-G1302 WeakPolarHBondContact OG1-CA 3.3Å; T1116-G1302 PolarHBondContact OG1-N 2.91Å |
| 1117 | H | 87 | Confident | 84 | Confident | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 175.1 | -179.9 | 59.6 | 0 | 0 | 0 | 112.4 | E1113 N1114 L1115 C1121 | E1113-H1117 PolarHBondContact O-N 3.49Å; N1114-H1117 PolarHBondContact O-N 3.41Å; L1115-H1117 VanDerWaalsContact C-N 3.34Å; L1115-H1117 PolarHBondContact O-N 3.35Å; H1117-C1121 VanDerWaalsContact CE1-SG 3.59Å; H1117-C1121 WeakPolarHBondContact O-CB 3.44Å; H1117-C1121 PolarHBondContact O-N 2.98Å; H1117-C1121 PolarHBondContact O-SG 3.48Å |
| 1118 | C | 84.3 | Confident | 83.2 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.2 | -68.6 | 0 | 0 | 0 | 0 | 114.2 | N1114 L1115 T1116 N1120 C1121 L1122 W1390 L1394 | N1114-C1118 PolarHBondContact O-N 3.48Å; N1114-C1118 PolarHBondContact O-SG 3.44Å; L1115-C1118 WeakPolarHBondContact O-CB 3.47Å; L1115-C1118 PolarHBondContact O-N 3.03Å; T1116-C1118 VanDerWaalsContact C-N 3.32Å; T1116-C1118 PolarHBondContact O-N 2.93Å; C1118-N1120 VanDerWaalsContact C-N 3.34Å; C1118-C1121 PolarHBondContact O-N 3.24Å; C1118-L1122 WeakPolarHBondContact O-CB 3.3Å; C1118-L1122 PolarHBondContact O-N 2.61Å; C1118-W1390 WeakPolarHBondContact SG-CZ3 3.49Å; C1118-L1394 HydrophobicContact CB-CD2 3.57Å |
| 1119 | L | 88.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -39 | -177.2 | -64.4 | 174.5 | 0 | 0 | 0 | 110.2 | L1115 T1116 L1122 E1123 T1216 A1220 V1301 W1305 F1395 | L1115-L1119 HydrophobicContact CD1-CD1 4.25Å; L1115-L1119 HydrophobicContact CD1-CD2 4.45Å; L1115-L1119 HydrophobicContact CD1-CG 4.17Å; L1115-L1119 HydrophobicContact CG-CD1 4.14Å; L1115-L1119 HydrophobicContact CG-CG 4.46Å; L1115-L1119 VanDerWaalsContact O-CG 3.31Å; L1115-L1119 WeakPolarHBondContact O-CG 3.33Å; L1115-L1119 PolarHBondContact O-N 2.88Å; T1116-L1119 PolarHBondContact O-N 2.95Å; L1119-L1122 WeakPolarHBondContact O-CB 3.35Å; L1119-L1122 PolarHBondContact O-N 2.68Å; L1119-E1123 PolarHBondContact O-N 2.72Å; L1119-E1123 VanDerWaalsContact O-N 3.14Å; L1119-T1216 HydrophobicContact CB-CG2 3.94Å; L1119-T1216 WeakPolarHBondContact O-CG2 3.48Å; L1119-A1220 HydrophobicContact CD2-CB 3.71Å; L1119-V1301 HydrophobicContact CB-CG1 4.13Å; L1119-V1301 HydrophobicContact CD1-CG1 3.98Å; L1119-W1305 HydrophobicContact CD1-CB 3.69Å; L1119-W1305 HydrophobicContact CD1-CG 3.97Å; L1119-F1395 HydrophobicContact CD2-CZ 4.23Å |
| 1120 | N | 89.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 172.5 | -61.7 | 5 | 0 | 0 | 0 | 111.4 | T1116 C1118 L1122 E1123 E1124 | T1116-N1120 VanDerWaalsContact O-CG 3.3Å; T1116-N1120 PolarHBondContact O-N 3.26Å; T1116-N1120 VanDerWaalsContact O-N 3.17Å; T1116-N1120 PolarHBondContact O-OD1 2.97Å; C1118-N1120 VanDerWaalsContact C-N 3.34Å; N1120-L1122 VanDerWaalsContact C-N 3.26Å; N1120-L1122 PolarHBondContact O-N 3.45Å; N1120-E1123 WeakPolarHBondContact O-CB 3.46Å; N1120-E1123 PolarHBondContact O-N 3.26Å; N1120-E1124 PolarHBondContact O-N 2.95Å |
| 1121 | C | 84.3 | Confident | 81.3 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 12% | 0.122 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 175.8 | -73.7 | 0 | 0 | 0 | 0 | 113.6 | H1117 C1118 H1125 I1387 | H1117-C1121 VanDerWaalsContact CE1-SG 3.59Å; H1117-C1121 WeakPolarHBondContact O-CB 3.44Å; H1117-C1121 PolarHBondContact O-N 2.98Å; H1117-C1121 PolarHBondContact O-SG 3.48Å; C1118-C1121 PolarHBondContact O-N 3.24Å; C1121-H1125 PolarHBondContact O-N 3.22Å; C1121-I1387 HydrophobicContact CB-CD1 3.82Å; C1121-I1387 HydrophobicContact CB-CG1 4.15Å |
| 1122 | L | 83.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 173.5 | 172.2 | 66.1 | 0 | 0 | 0 | 111.8 | C1118 L1119 N1120 H1125 H1126 I1219 A1220 Y1391 F1395 | C1118-L1122 WeakPolarHBondContact O-CB 3.3Å; C1118-L1122 PolarHBondContact O-N 2.61Å; L1119-L1122 WeakPolarHBondContact O-CB 3.35Å; L1119-L1122 PolarHBondContact O-N 2.68Å; N1120-L1122 VanDerWaalsContact C-N 3.26Å; N1120-L1122 PolarHBondContact O-N 3.45Å; L1122-H1125 PolarHBondContact O-N 3.07Å; L1122-H1126 PolarHBondContact O-CD2 3.33Å; L1122-H1126 VanDerWaalsContact O-CD2 3.28Å; L1122-H1126 PolarHBondContact O-N 2.66Å; L1122-I1219 HydrophobicContact CD2-CG2 4.12Å; L1122-I1219 HydrophobicContact CG-CG2 3.9Å; L1122-A1220 HydrophobicContact CD2-CB 4.15Å; L1122-Y1391 HydrophobicContact CD1-CD2 3.78Å; L1122-Y1391 HydrophobicContact CD1-CE2 3.5Å; L1122-Y1391 VanDerWaalsContact CD1-CE2 3.5Å; L1122-F1395 HydrophobicContact CD2-CE2 3.73Å; L1122-F1395 HydrophobicContact CD2-CZ 3.72Å |
| 1123 | E | 85.8 | Confident | 80.5 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -50.5 | 177.1 | 174.2 | 156.9 | -134.2 | 0 | 0 | 111.5 | L1119 N1120 H1125 H1126 E1127 R1215 T1216 I1219 | L1119-E1123 PolarHBondContact O-N 2.72Å; L1119-E1123 VanDerWaalsContact O-N 3.14Å; N1120-E1123 WeakPolarHBondContact O-CB 3.46Å; N1120-E1123 PolarHBondContact O-N 3.26Å; E1123-H1125 PolarHBondContact O-N 3.46Å; E1123-H1126 WeakPolarHBondContact O-CA 3.42Å; E1123-H1126 PolarHBondContact O-N 3.41Å; E1123-E1127 PolarHBondContact O-N 3.08Å; E1123-R1215 VanDerWaalsContact CG-NH1 3.3Å; E1123-R1215 VanDerWaalsContact OE1-CB 3.23Å; E1123-R1215 WeakPolarHBondContact OE1-CB 3.15Å; E1123-R1215 VanDerWaalsContact OE1-CD 3.27Å; E1123-R1215 WeakPolarHBondContact OE1-CD 3.32Å; E1123-R1215 WeakPolarHBondContact OE1-CG 3.14Å; E1123-R1215 IonicContact OE1-CZ 3.8Å; E1123-R1215 IonicContact OE1-NE 3.4Å; E1123-R1215 IonicContact OE1-NH1 3.69Å; E1123-R1215 PolarHBondContact OE1-NH1 2.99Å; E1123-T1216 HydrophobicContact CB-CG2 4.06Å; E1123-T1216 PolarHBondContact OE1-N 2.76Å; E1123-T1216 VanDerWaalsContact OE2-CA 3.3Å; E1123-T1216 WeakPolarHBondContact OE2-CA 3.32Å; E1123-T1216 WeakPolarHBondContact OE2-CB 3.23Å; E1123-T1216 WeakPolarHBondContact OE2-CG2 3.21Å; E1123-T1216 PolarHBondContact OE2-N 3.32Å; E1123-T1216 PolarHBondContact OE2-OG1 3.43Å; E1123-I1219 HydrophobicContact CB-CD1 4.19Å; E1123-I1219 HydrophobicContact CG-CD1 3.88Å |
| 1124 | E | 82.2 | Confident | 80.4 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -53.7 | -38.4 | 174.9 | -69.2 | 176.7 | -168.4 | 0 | 0 | 112.4 | N1120 H1126 E1127 | N1120-E1124 PolarHBondContact O-N 2.95Å; E1124-H1126 VanDerWaalsContact C-N 3.27Å; E1124-H1126 PolarHBondContact O-N 3.45Å; E1124-E1127 PolarHBondContact O-N 2.97Å |
| 1125 | H | 78 | Confident | 80.5 | Confident | 38 Ų | 38 | 56 Ų | 56 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -33.2 | 175.1 | 178.3 | 112.2 | 0 | 0 | 0 | 112.5 | C1121 L1122 E1123 Q1168 F1450 | C1121-H1125 PolarHBondContact O-N 3.22Å; L1122-H1125 PolarHBondContact O-N 3.07Å; E1123-H1125 PolarHBondContact O-N 3.46Å; H1125-Q1168 PolarHBondContact CD2-NE2 2.9Å; H1125-Q1168 VanDerWaalsContact CD2-NE2 3.32Å; H1125-Q1168 PolarHBondContact NE2-NE2 2.9Å; H1125-Q1168 PolarHBondContact O-NE2 2.61Å; H1125-F1450 AromaticContact CE1-CD1 3.88Å; H1125-F1450 AromaticContact CE1-CD2 3.78Å; H1125-F1450 AromaticContact CE1-CE1 3.41Å; H1125-F1450 VanDerWaalsContact CE1-CE1 3.41Å; H1125-F1450 WeakPolarHBondContact CE1-CE1 3.47Å; H1125-F1450 AromaticContact CE1-CE2 3.29Å; H1125-F1450 WeakPolarHBondContact CE1-CE2 3.45Å; H1125-F1450 AromaticContact CE1-CZ 3.09Å; H1125-F1450 WeakPolarHBondContact CE1-CZ 3.48Å; H1125-F1450 AromaticContact ND1-CE1 3.53Å; H1125-F1450 AromaticContact ND1-CZ 3.53Å; H1125-F1450 AromaticContact NE2-CE2 3.73Å; H1125-F1450 AromaticContact NE2-CZ 3.75Å |
| 1126 | H | 77 | Confident | 80.3 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -86.3 | -23.7 | 179.7 | -77 | -55 | 0 | 0 | 0 | 113.3 | L1122 E1123 E1124 T1128 I1219 | L1122-H1126 PolarHBondContact O-CD2 3.33Å; L1122-H1126 VanDerWaalsContact O-CD2 3.28Å; L1122-H1126 PolarHBondContact O-N 2.66Å; E1123-H1126 WeakPolarHBondContact O-CA 3.42Å; E1123-H1126 PolarHBondContact O-N 3.41Å; E1124-H1126 VanDerWaalsContact C-N 3.27Å; E1124-H1126 PolarHBondContact O-N 3.45Å; H1126-T1128 PolarHBondContact O-N 2.92Å; H1126-I1219 HydrophobicContact CB-CD1 4.38Å; H1126-I1219 HydrophobicContact CB-CG2 4.38Å; H1126-I1219 VanDerWaalsContact CD2-CG2 3.42Å; H1126-I1219 WeakPolarHBondContact CD2-CG2 3.24Å |
| 1127 | E | 69 | Low | 80.1 | Confident | 104 Ų | 104 | 64.7 Ų | 64.7 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | trans | -70.2 | 117 | 170.9 | -67.1 | -162.3 | 150.7 | 0 | 0 | 113.1 | E1123 E1124 R1215 | E1123-E1127 PolarHBondContact O-N 3.08Å; E1124-E1127 PolarHBondContact O-N 2.97Å; E1127-R1215 VanDerWaalsContact CG-NH1 3.33Å; E1127-R1215 IonicContact OE1-CZ 2.69Å; E1127-R1215 IonicContact OE1-NH1 2.77Å; E1127-R1215 PolarHBondContact OE1-NH1 3.34Å; E1127-R1215 IonicContact OE1-NH2 3.26Å | ||
| 1128 | T | 62.2 | Low | 80.2 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | trans | -153.6 | 110.7 | 163.1 | 32.5 | 0 | 0 | 0 | 0 | 110.1 | H1126 N1130 K1131 | H1126-T1128 PolarHBondContact O-N 2.92Å; T1128-N1130 PolarHBondContact O-N 2.9Å; T1128-N1130 VanDerWaalsContact O-N 3.08Å; T1128-K1131 PolarHBondContact O-N 3.2Å | ||
| 1129 | D | 69.6 | Low | 80.5 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -51.7 | -37.1 | 177.8 | -59.8 | -50.3 | 0 | 0 | 0 | 112.4 | K1131 V1132 N1133 | D1129-K1131 PolarHBondContact O-N 3.25Å; D1129-K1131 VanDerWaalsContact O-N 3.08Å; D1129-V1132 PolarHBondContact O-N 2.8Å; D1129-N1133 WeakPolarHBondContact O-CB 3.32Å; D1129-N1133 VanDerWaalsContact O-CG 3.24Å; D1129-N1133 PolarHBondContact O-N 3.47Å; D1129-N1133 PolarHBondContact O-ND2 2.8Å |
| 1130 | N | 72.2 | Confident | 80.5 | Confident | 130 Ų | 130 | 70 Ų | 70 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -50.8 | -33 | 174.6 | -66.2 | -47.3 | 0 | 0 | 0 | 113.5 | T1128 A1134 | T1128-N1130 PolarHBondContact O-N 2.9Å; T1128-N1130 VanDerWaalsContact O-N 3.08Å; N1130-A1134 VanDerWaalsContact O-CB 3.3Å; N1130-A1134 WeakPolarHBondContact O-CB 3.38Å; N1130-A1134 PolarHBondContact O-N 3.27Å; N1130-A1134 VanDerWaalsContact O-N 3.13Å |
| 1131 | K | 72.6 | Confident | 80.7 | Confident | 83 Ų | 83 | 72 Ų | 72 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -84.5 | -32.9 | 177.3 | -66.5 | -168.9 | 177.4 | -164 | 0 | 112.9 | T1128 D1129 R1135 Q1168 | T1128-K1131 PolarHBondContact O-N 3.2Å; D1129-K1131 PolarHBondContact O-N 3.25Å; D1129-K1131 VanDerWaalsContact O-N 3.08Å; K1131-R1135 WeakPolarHBondContact O-CG 3.47Å; K1131-R1135 PolarHBondContact O-N 3.44Å; K1131-R1135 VanDerWaalsContact O-N 3.07Å; K1131-Q1168 HydrophobicContact CD-CG 4.1Å |
| 1132 | V | 74.9 | Confident | 81.1 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | D1129 A1134 R1135 Q1136 | D1129-V1132 PolarHBondContact O-N 2.8Å; V1132-A1134 PolarHBondContact O-N 3.45Å; V1132-R1135 WeakPolarHBondContact O-CB 3.4Å; V1132-R1135 PolarHBondContact O-N 3.34Å; V1132-Q1136 WeakPolarHBondContact O-CG 3.39Å; V1132-Q1136 PolarHBondContact O-N 3.17Å |
| 1133 | N | 81 | Confident | 81.5 | Confident | 87 Ų | 87 | 77.8 Ų | 77.8 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 176.2 | -66.4 | -21.4 | 0 | 0 | 0 | 111.8 | D1129 R1135 Q1136 E1137 | D1129-N1133 WeakPolarHBondContact O-CB 3.32Å; D1129-N1133 VanDerWaalsContact O-CG 3.24Å; D1129-N1133 PolarHBondContact O-N 3.47Å; D1129-N1133 PolarHBondContact O-ND2 2.8Å; N1133-R1135 VanDerWaalsContact C-N 3.33Å; N1133-R1135 PolarHBondContact O-N 2.99Å; N1133-Q1136 PolarHBondContact O-N 3.4Å; N1133-E1137 WeakPolarHBondContact O-CB 3.2Å; N1133-E1137 PolarHBondContact O-N 2.89Å |
| 1134 | A | 84 | Confident | 81.8 | Confident | 55 Ų | 55 | 81 Ų | 81 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1130 V1132 L1138 | N1130-A1134 VanDerWaalsContact O-CB 3.3Å; N1130-A1134 WeakPolarHBondContact O-CB 3.38Å; N1130-A1134 PolarHBondContact O-N 3.27Å; N1130-A1134 VanDerWaalsContact O-N 3.13Å; V1132-A1134 PolarHBondContact O-N 3.45Å; A1134-L1138 WeakPolarHBondContact O-CB 3.41Å; A1134-L1138 PolarHBondContact O-N 3.32Å; A1134-L1138 VanDerWaalsContact O-N 3.11Å |
| 1135 | R | 85.2 | Confident | 82.2 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 13% | 0.125 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | 172.5 | -75 | 176.4 | 178.2 | 135.5 | -11.2 | 111.5 | K1131 V1132 N1133 L1138 V1139 C1161 D1166 L1167 L1172 | K1131-R1135 WeakPolarHBondContact O-CG 3.47Å; K1131-R1135 PolarHBondContact O-N 3.44Å; K1131-R1135 VanDerWaalsContact O-N 3.07Å; V1132-R1135 WeakPolarHBondContact O-CB 3.4Å; V1132-R1135 PolarHBondContact O-N 3.34Å; N1133-R1135 VanDerWaalsContact C-N 3.33Å; N1133-R1135 PolarHBondContact O-N 2.99Å; R1135-L1138 PolarHBondContact O-N 3.21Å; R1135-V1139 WeakPolarHBondContact O-CG2 3.26Å; R1135-V1139 PolarHBondContact O-N 2.84Å; R1135-C1161 PolarHBondContact NE-SG 2.95Å; R1135-C1161 VanDerWaalsContact NE-SG 3.36Å; R1135-D1166 IonicContact CZ-OD2 2.82Å; R1135-D1166 VanDerWaalsContact CZ-OD2 3.26Å; R1135-D1166 VanDerWaalsContact NH1-CG 3.29Å; R1135-D1166 IonicContact NH1-OD1 2.58Å; R1135-D1166 IonicContact NH1-OD2 2.65Å; R1135-D1166 PolarHBondContact NH1-OD2 2.86Å; R1135-D1166 IonicContact NH2-OD2 3.87Å; R1135-D1166 PolarHBondContact NH2-OD2 2.95Å; R1135-L1167 PolarHBondContact NH2-O 3.44Å; R1135-L1172 HydrophobicContact CB-CD1 3.97Å; R1135-L1172 HydrophobicContact CG-CD1 3.8Å |
| 1136 | Q | 83.9 | Confident | 82.8 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177 | -69.7 | 177.7 | 3.7 | 0 | 0 | 111.9 | V1132 N1133 L1138 V1139 K1140 | V1132-Q1136 WeakPolarHBondContact O-CG 3.39Å; V1132-Q1136 PolarHBondContact O-N 3.17Å; N1133-Q1136 PolarHBondContact O-N 3.4Å; Q1136-L1138 VanDerWaalsContact C-N 3.33Å; Q1136-L1138 PolarHBondContact O-N 2.88Å; Q1136-V1139 PolarHBondContact O-N 3.3Å; Q1136-K1140 PolarHBondContact O-N 2.86Å |
| 1137 | E | 88.1 | Confident | 83.5 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 49% | 0.486 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.4 | -163.1 | -161.5 | 148.8 | 0 | 0 | 111.9 | N1133 K1140 K1141 | N1133-E1137 WeakPolarHBondContact O-CB 3.2Å; N1133-E1137 PolarHBondContact O-N 2.89Å; E1137-K1140 PolarHBondContact O-N 2.86Å; E1137-K1141 WeakPolarHBondContact O-CG 3.25Å; E1137-K1141 PolarHBondContact O-N 3.4Å; E1137-K1141 WeakPolarHBondContact OE1-CE 3.34Å; E1137-K1141 IonicContact OE1-NZ 2.7Å; E1137-K1141 PolarHBondContact OE1-NZ 3.25Å |
| 1138 | L | 89.2 | Confident | 84.4 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.5 | 179.3 | 58.4 | 0 | 0 | 0 | 111.9 | A1134 R1135 Q1136 K1140 K1141 I1142 L1172 | A1134-L1138 WeakPolarHBondContact O-CB 3.41Å; A1134-L1138 PolarHBondContact O-N 3.32Å; A1134-L1138 VanDerWaalsContact O-N 3.11Å; R1135-L1138 PolarHBondContact O-N 3.21Å; Q1136-L1138 VanDerWaalsContact C-N 3.33Å; Q1136-L1138 PolarHBondContact O-N 2.88Å; L1138-K1140 VanDerWaalsContact C-N 3.32Å; L1138-K1140 PolarHBondContact O-N 3.5Å; L1138-K1141 PolarHBondContact O-N 2.96Å; L1138-I1142 HydrophobicContact CD1-CD1 4.26Å; L1138-I1142 HydrophobicContact CD1-CG1 4.44Å; L1138-I1142 HydrophobicContact CG-CD1 4.08Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.33Å; L1138-I1142 PolarHBondContact O-N 3.43Å; L1138-L1172 HydrophobicContact CD2-CD2 3.93Å; L1138-L1172 HydrophobicContact CG-CD2 4.43Å |
| 1139 | V | 89.9 | Confident | 85.6 | Confident | 17 Ų | 17 | 93.2 Ų | 93.2 | 10% | 0.103 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111 | R1135 Q1136 K1141 I1142 Y1143 L1155 L1157 L1172 I1174 | R1135-V1139 WeakPolarHBondContact O-CG2 3.26Å; R1135-V1139 PolarHBondContact O-N 2.84Å; Q1136-V1139 PolarHBondContact O-N 3.3Å; V1139-K1141 VanDerWaalsContact C-N 3.34Å; V1139-K1141 PolarHBondContact O-N 3.05Å; V1139-I1142 PolarHBondContact O-N 3.44Å; V1139-Y1143 WeakPolarHBondContact O-CB 2.96Å; V1139-Y1143 PolarHBondContact O-N 3.34Å; V1139-L1155 HydrophobicContact CG1-CB 4.19Å; V1139-L1157 HydrophobicContact CG2-CD1 4.11Å; V1139-L1157 HydrophobicContact CG2-CD2 3.66Å; V1139-L1157 HydrophobicContact CG2-CG 3.86Å; V1139-L1172 HydrophobicContact CG2-CD2 4.27Å; V1139-I1174 HydrophobicContact CG2-CD1 4.08Å; V1139-I1174 HydrophobicContact CG2-CG1 4.28Å |
| 1140 | K | 89.9 | Confident | 86.6 | Confident | 128 Ų | 128 | 90.9 Ų | 90.9 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 174.8 | -167.2 | -173.9 | -177.4 | -103.7 | 0 | 111.8 | Q1136 E1137 L1138 I1142 Y1143 E1144 | Q1136-K1140 PolarHBondContact O-N 2.86Å; E1137-K1140 PolarHBondContact O-N 2.86Å; L1138-K1140 VanDerWaalsContact C-N 3.32Å; L1138-K1140 PolarHBondContact O-N 3.5Å; K1140-I1142 PolarHBondContact O-N 3.39Å; K1140-Y1143 WeakPolarHBondContact O-CB 3.49Å; K1140-Y1143 PolarHBondContact O-N 3.36Å; K1140-E1144 WeakPolarHBondContact CE-OE1 3.31Å; K1140-E1144 IonicContact NZ-OE1 3.02Å; K1140-E1144 PolarHBondContact NZ-OE1 2.93Å; K1140-E1144 VanDerWaalsContact O-CG 3.3Å; K1140-E1144 WeakPolarHBondContact O-CG 3.36Å; K1140-E1144 PolarHBondContact O-N 3.4Å |
| 1141 | K | 92.2 | Very high | 87.3 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 176.3 | -74.8 | 166.5 | 171.7 | 172.1 | 0 | 112.9 | E1137 L1138 V1139 C1145 | E1137-K1141 WeakPolarHBondContact O-CG 3.25Å; E1137-K1141 PolarHBondContact O-N 3.4Å; E1137-K1141 WeakPolarHBondContact OE1-CE 3.34Å; E1137-K1141 IonicContact OE1-NZ 2.7Å; E1137-K1141 PolarHBondContact OE1-NZ 3.25Å; L1138-K1141 PolarHBondContact O-N 2.96Å; V1139-K1141 VanDerWaalsContact C-N 3.34Å; V1139-K1141 PolarHBondContact O-N 3.05Å; K1141-C1145 PolarHBondContact O-N 3.09Å; K1141-C1145 VanDerWaalsContact O-N 3.11Å; K1141-C1145 PolarHBondContact O-SG 3.24Å |
| 1142 | I | 93.2 | Very high | 88 | Confident | 46 Ų | 46 | 86.9 Ų | 86.9 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.1 | -41 | 173.5 | -63.5 | 164 | 0 | 0 | 0 | 110.4 | L1138 V1139 K1140 C1145 F1146 L1155 I1174 | L1138-I1142 HydrophobicContact CD1-CD1 4.26Å; L1138-I1142 HydrophobicContact CD1-CG1 4.44Å; L1138-I1142 HydrophobicContact CG-CD1 4.08Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.33Å; L1138-I1142 PolarHBondContact O-N 3.43Å; V1139-I1142 PolarHBondContact O-N 3.44Å; K1140-I1142 PolarHBondContact O-N 3.39Å; I1142-C1145 PolarHBondContact O-N 3.25Å; I1142-F1146 HydrophobicContact CG2-CD1 4.04Å; I1142-F1146 HydrophobicContact CG2-CE1 3.91Å; I1142-F1146 HydrophobicContact CG2-CG 4.44Å; I1142-F1146 HydrophobicContact CG2-CZ 4.19Å; I1142-F1146 WeakPolarHBondContact O-CB 3.32Å; I1142-F1146 WeakPolarHBondContact O-CD1 3.32Å; I1142-F1146 PolarHBondContact O-N 3.04Å; I1142-L1155 HydrophobicContact CB-CD1 4.15Å; I1142-L1155 HydrophobicContact CG2-CD1 3.75Å; I1142-I1174 HydrophobicContact CD1-CD1 3.68Å |
| 1143 | Y | 92 | Very high | 88.8 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 173.4 | 173.1 | -89.1 | 0 | 0 | 0 | 111.9 | V1139 K1140 C1145 F1146 S1147 V1153 L1155 | V1139-Y1143 WeakPolarHBondContact O-CB 2.96Å; V1139-Y1143 PolarHBondContact O-N 3.34Å; K1140-Y1143 WeakPolarHBondContact O-CB 3.49Å; K1140-Y1143 PolarHBondContact O-N 3.36Å; Y1143-C1145 VanDerWaalsContact C-N 3.26Å; Y1143-C1145 PolarHBondContact O-N 3.37Å; Y1143-F1146 PolarHBondContact O-N 3.21Å; Y1143-S1147 VanDerWaalsContact O-CB 3.3Å; Y1143-S1147 WeakPolarHBondContact O-CB 3.46Å; Y1143-S1147 PolarHBondContact O-N 2.95Å; Y1143-S1147 PolarHBondContact O-OG 2.89Å; Y1143-V1153 HydrophobicContact CD2-CG1 4.46Å; Y1143-V1153 HydrophobicContact CE2-CG1 4.43Å; Y1143-V1153 VanDerWaalsContact CE2-O 3.27Å; Y1143-V1153 WeakPolarHBondContact CE2-O 3.08Å; Y1143-L1155 HydrophobicContact CD2-CG 4.46Å |
| 1144 | E | 91.3 | Very high | 89 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 174.9 | -72.5 | 165.3 | -177.6 | 0 | 0 | 111.7 | K1140 S1147 | K1140-E1144 WeakPolarHBondContact CE-OE1 3.31Å; K1140-E1144 IonicContact NZ-OE1 3.02Å; K1140-E1144 PolarHBondContact NZ-OE1 2.93Å; K1140-E1144 VanDerWaalsContact O-CG 3.3Å; K1140-E1144 WeakPolarHBondContact O-CG 3.36Å; K1140-E1144 PolarHBondContact O-N 3.4Å; E1144-S1147 PolarHBondContact O-OG 2.97Å |
| 1145 | C | 91.2 | Very high | 89.3 | Confident | 92 Ų | 92 | 83 Ų | 83 | 62% | 0.622 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -73.8 | -39.4 | 175 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | K1141 I1142 Y1143 | K1141-C1145 PolarHBondContact O-N 3.09Å; K1141-C1145 VanDerWaalsContact O-N 3.11Å; K1141-C1145 PolarHBondContact O-SG 3.24Å; I1142-C1145 PolarHBondContact O-N 3.25Å; Y1143-C1145 VanDerWaalsContact C-N 3.26Å; Y1143-C1145 PolarHBondContact O-N 3.37Å |
| 1146 | F | 91.3 | Very high | 89.2 | Confident | 89 Ų | 89 | 83.9 Ų | 83.9 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -77.7 | -39.9 | -175.7 | -82.7 | 30.2 | 0 | 0 | 0 | 111.8 | I1142 Y1143 Y1148 R1149 F1150 V1153 L1155 V1176 | I1142-F1146 HydrophobicContact CG2-CD1 4.04Å; I1142-F1146 HydrophobicContact CG2-CE1 3.91Å; I1142-F1146 HydrophobicContact CG2-CG 4.44Å; I1142-F1146 HydrophobicContact CG2-CZ 4.19Å; I1142-F1146 WeakPolarHBondContact O-CB 3.32Å; I1142-F1146 WeakPolarHBondContact O-CD1 3.32Å; I1142-F1146 PolarHBondContact O-N 3.04Å; Y1143-F1146 PolarHBondContact O-N 3.21Å; F1146-Y1148 PolarHBondContact O-N 3.04Å; F1146-R1149 PolarHBondContact O-N 3.38Å; F1146-F1150 PolarHBondContact O-N 2.87Å; F1146-V1153 HydrophobicContact CB-CG1 3.97Å; F1146-V1153 HydrophobicContact CB-CG2 4.48Å; F1146-V1153 HydrophobicContact CD2-CG2 4.45Å; F1146-L1155 HydrophobicContact CD2-CD2 4.35Å; F1146-V1176 HydrophobicContact CE2-CG2 4.48Å |
| 1147 | S | 90.9 | Very high | 89.4 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 22% | 0.217 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -28 | 179.1 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | Y1143 E1144 R1149 F1150 P1151 | Y1143-S1147 VanDerWaalsContact O-CB 3.3Å; Y1143-S1147 WeakPolarHBondContact O-CB 3.46Å; Y1143-S1147 PolarHBondContact O-N 2.95Å; Y1143-S1147 PolarHBondContact O-OG 2.89Å; E1144-S1147 PolarHBondContact O-OG 2.97Å; S1147-R1149 PolarHBondContact O-N 3.26Å; S1147-F1150 CarbonylContact O-C 3.54Å; S1147-P1151 WeakPolarHBondContact O-CA 3.4Å |
| 1148 | Y | 88.7 | Confident | 89.3 | Confident | 215 Ų | 215 | 77.8 Ų | 77.8 | 84% | 0.843 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.8 | 171.1 | -175.9 | -96.6 | 0 | 0 | 0 | 113.4 | F1146 | F1146-Y1148 PolarHBondContact O-N 3.04Š|
| 1149 | R | 87.5 | Confident | 89.2 | Confident | 168 Ų | 168 | 74.4 Ų | 74.4 | 63% | 0.634 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -29.2 | 178.8 | -177 | 57.3 | -171.1 | 86.3 | -5.6 | 113.6 | F1146 S1147 | F1146-R1149 PolarHBondContact O-N 3.38Å; S1147-R1149 PolarHBondContact O-N 3.26Å |
| 1150 | F | 89.8 | Confident | 89 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | trans | -135.7 | 84.9 | -177.7 | -55.3 | -75.6 | 0 | 0 | 0 | 109 | F1146 S1147 S1152 V1153 F1178 E1184 | F1146-F1150 PolarHBondContact O-N 2.87Å; S1147-F1150 CarbonylContact O-C 3.54Å; F1150-S1152 PolarHBondContact O-N 2.96Å; F1150-V1153 HydrophobicContact CB-CB 4.22Å; F1150-V1153 VanDerWaalsContact O-CB 3.32Å; F1150-V1153 WeakPolarHBondContact O-CB 3.35Å; F1150-V1153 VanDerWaalsContact O-CG1 3.24Å; F1150-V1153 WeakPolarHBondContact O-CG1 3.3Å; F1150-V1153 PolarHBondContact O-N 2.77Å; F1150-F1178 HydrophobicContact CB-CE1 3.94Å; F1150-F1178 HydrophobicContact CB-CZ 4.36Å; F1150-F1178 HydrophobicContact CG-CZ 4.49Å; F1150-E1184 HydrophobicContact CD1-CG 3.9Å | ||
| 1151 | P | 86.8 | Confident | 88.8 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.2 | -169.4 | -26.4 | 36.1 | 0 | 0 | 0 | 115.2 | S1147 | S1147-P1151 WeakPolarHBondContact O-CA 3.4Š|
| 1152 | S | 88.2 | Confident | 88.5 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -9.4 | 177.6 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | F1150 F1178 P1179 E1184 | F1150-S1152 PolarHBondContact O-N 2.96Å; S1152-F1178 WeakPolarHBondContact OG-CD1 3.46Å; S1152-P1179 WeakPolarHBondContact O-CD 3.29Å; S1152-E1184 PolarHBondContact OG-OE1 3.1Å; S1152-E1184 PolarHBondContact OG-OE2 3.14Å |
| 1153 | V | 90.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | trans | -59.2 | 141.6 | -171.9 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | Y1143 F1146 F1150 L1155 V1176 F1178 | Y1143-V1153 HydrophobicContact CD2-CG1 4.46Å; Y1143-V1153 HydrophobicContact CE2-CG1 4.43Å; Y1143-V1153 VanDerWaalsContact CE2-O 3.27Å; Y1143-V1153 WeakPolarHBondContact CE2-O 3.08Å; F1146-V1153 HydrophobicContact CB-CG1 3.97Å; F1146-V1153 HydrophobicContact CB-CG2 4.48Å; F1146-V1153 HydrophobicContact CD2-CG2 4.45Å; F1150-V1153 HydrophobicContact CB-CB 4.22Å; F1150-V1153 VanDerWaalsContact O-CB 3.32Å; F1150-V1153 WeakPolarHBondContact O-CB 3.35Å; F1150-V1153 VanDerWaalsContact O-CG1 3.24Å; F1150-V1153 WeakPolarHBondContact O-CG1 3.3Å; F1150-V1153 PolarHBondContact O-N 2.77Å; V1153-L1155 HydrophobicContact CG2-CD2 4.21Å; V1153-V1176 HydrophobicContact CG2-CG1 3.84Å; V1153-F1178 HydrophobicContact CB-CD1 4.29Å; V1153-F1178 HydrophobicContact CB-CE1 3.68Å; V1153-F1178 HydrophobicContact CB-CZ 4.43Å; V1153-F1178 HydrophobicContact CG2-CE1 3.84Å; V1153-F1178 HydrophobicContact CG2-CZ 4.15Å | ||
| 1154 | Q | 86.7 | Confident | 87.9 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.3 | 167.7 | -62.7 | -169.1 | 0.3 | 0 | 0 | 109.9 | F1177 P1179 | Q1154-F1177 HydrophobicContact CB-CD1 4.14Å; Q1154-F1177 HydrophobicContact CB-CD2 4.06Å; Q1154-F1177 HydrophobicContact CB-CE1 3.71Å; Q1154-F1177 HydrophobicContact CB-CE2 3.63Å; Q1154-F1177 HydrophobicContact CB-CG 4.3Å; Q1154-F1177 HydrophobicContact CB-CZ 3.44Å; Q1154-F1177 VanDerWaalsContact CB-CZ 3.44Å; Q1154-F1177 HydrophobicContact CG-CE2 4.33Å; Q1154-F1177 HydrophobicContact CG-CZ 4.43Å; Q1154-F1177 PolarHBondContact N-O 3.45Å; Q1154-F1177 WeakPolarHBondContact O-CD1 3.32Å; Q1154-F1177 PolarHBondContact O-N 2.97Å; Q1154-P1179 HydrophobicContact CG-CG 4.37Å |
| 1155 | L | 88.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.9 | -179.7 | -58.3 | -174.9 | 0 | 0 | 0 | 109.1 | V1139 I1142 Y1143 F1146 V1153 I1174 C1175 V1176 | V1139-L1155 HydrophobicContact CG1-CB 4.19Å; I1142-L1155 HydrophobicContact CB-CD1 4.15Å; I1142-L1155 HydrophobicContact CG2-CD1 3.75Å; Y1143-L1155 HydrophobicContact CD2-CG 4.46Å; F1146-L1155 HydrophobicContact CD2-CD2 4.35Å; V1153-L1155 HydrophobicContact CG2-CD2 4.21Å; L1155-I1174 HydrophobicContact CB-CG2 4.05Å; L1155-I1174 HydrophobicContact CD1-CG2 4.43Å; L1155-I1174 HydrophobicContact CD2-CG2 4.09Å; L1155-I1174 HydrophobicContact CG-CG2 4.43Å; L1155-C1175 WeakPolarHBondContact CA-O 3.38Å; L1155-V1176 HydrophobicContact CD2-CB 4.17Å; L1155-V1176 HydrophobicContact CD2-CG1 4.03Å; L1155-V1176 HydrophobicContact CD2-CG2 3.78Å |
| 1156 | E | 84 | Confident | 87.6 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.6 | 172.7 | -174.2 | 174.9 | 164.6 | 0 | 0 | 109.7 | C1175 F1177 L1198 R1202 | E1156-C1175 PolarHBondContact N-O 3.36Å; E1156-C1175 VanDerWaalsContact N-O 3.08Å; E1156-C1175 WeakPolarHBondContact O-CB 3.35Å; E1156-C1175 PolarHBondContact O-N 2.73Å; E1156-F1177 HydrophobicContact CB-CE1 3.92Å; E1156-L1198 HydrophobicContact CB-CD2 4.2Å; E1156-L1198 HydrophobicContact CG-CD2 3.93Å; E1156-R1202 IonicContact OE1-CZ 2.71Å; E1156-R1202 IonicContact OE1-NE 3.6Å; E1156-R1202 PolarHBondContact OE1-NE 2.88Å; E1156-R1202 VanDerWaalsContact OE1-NE 3.09Å; E1156-R1202 IonicContact OE1-NH2 2.68Å; E1156-R1202 PolarHBondContact OE1-NH2 3.41Å; E1156-R1202 IonicContact OE2-CZ 2.56Å; E1156-R1202 IonicContact OE2-NH2 2.95Å; E1156-R1202 PolarHBondContact OE2-NH2 3.4Å |
| 1157 | L | 87 | Confident | 87.3 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134.4 | 171.3 | -77.1 | 173.3 | 0 | 0 | 0 | 109.9 | V1139 A1162 L1172 I1174 | V1139-L1157 HydrophobicContact CG2-CD1 4.11Å; V1139-L1157 HydrophobicContact CG2-CD2 3.66Å; V1139-L1157 HydrophobicContact CG2-CG 3.86Å; L1157-A1162 HydrophobicContact CB-CB 4.04Å; L1157-A1162 WeakPolarHBondContact O-CB 3.42Å; L1157-L1172 HydrophobicContact CD1-CD1 4.49Å; L1157-L1172 HydrophobicContact CD2-CD1 3.47Å; L1157-L1172 VanDerWaalsContact CD2-CD1 3.47Å; L1157-L1172 HydrophobicContact CD2-CG 3.87Å; L1157-I1174 HydrophobicContact CD2-CG1 4Å |
| 1158 | F | 87.6 | Confident | 86.7 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | trans | -128.9 | -165.3 | 174.2 | 81.6 | -76.9 | 0 | 0 | 0 | 110.2 | S1160 D1173 I1174 C1175 A1197 L1198 T1201 | F1158-S1160 PolarHBondContact O-N 3.24Å; F1158-D1173 VanDerWaalsContact CD1-C 3.49Å; F1158-D1173 HydrophobicContact CD1-CB 3.77Å; F1158-D1173 WeakPolarHBondContact CD1-O 3.44Å; F1158-D1173 HydrophobicContact CD2-CB 4.38Å; F1158-D1173 HydrophobicContact CE1-CB 3.7Å; F1158-D1173 HydrophobicContact CE2-CB 4.31Å; F1158-D1173 HydrophobicContact CG-CB 4.13Å; F1158-D1173 HydrophobicContact CZ-CB 3.98Å; F1158-D1173 PolarHBondContact N-O 2.78Å; F1158-I1174 VanDerWaalsContact CE1-C 3.5Å; F1158-C1175 HydrophobicContact CD1-CB 3.8Å; F1158-C1175 HydrophobicContact CE1-CB 4.29Å; F1158-C1175 HydrophobicContact CG-CB 4.45Å; F1158-A1197 HydrophobicContact CD2-CB 3.83Å; F1158-A1197 HydrophobicContact CE2-CB 3.93Å; F1158-L1198 HydrophobicContact CB-CD2 3.82Å; F1158-T1201 HydrophobicContact CB-CG2 4.41Å | ||
| 1159 | G | 86.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | 58.5 | -140.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1161 A1162 N1163 D1173 T1201 | G1159-C1161 PolarHBondContact O-N 3.3Å; G1159-A1162 PolarHBondContact O-N 2.85Å; G1159-N1163 WeakPolarHBondContact O-CB 3.43Å; G1159-N1163 PolarHBondContact O-N 2.9Å; G1159-N1163 PolarHBondContact O-OD1 2.76Å; G1159-D1173 WeakPolarHBondContact CA-OD2 3.25Å; G1159-T1201 PolarHBondContact N-OG1 3.16Å |
| 1160 | S | 86.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -72.4 | -28.1 | -169.7 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | F1158 A1162 N1163 D1166 S1170 D1173 K1222 | F1158-S1160 PolarHBondContact O-N 3.24Å; S1160-A1162 VanDerWaalsContact C-N 3.26Å; S1160-A1162 PolarHBondContact O-N 3.36Å; S1160-N1163 WeakPolarHBondContact CA-OD1 3.29Å; S1160-N1163 PolarHBondContact O-OD1 3.12Å; S1160-D1166 WeakPolarHBondContact O-CA 3.44Å; S1160-D1166 VanDerWaalsContact O-CB 3.26Å; S1160-D1166 WeakPolarHBondContact O-CB 3.45Å; S1160-D1166 PolarHBondContact O-N 3.03Å; S1160-S1170 WeakPolarHBondContact OG-CB 3.19Å; S1160-S1170 PolarHBondContact OG-OG 3.07Å; S1160-D1173 PolarHBondContact N-OD2 2.83Å; S1160-K1222 VanDerWaalsContact CB-NZ 3.31Å |
| 1161 | C | 85.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -78.9 | -3.9 | -178.8 | -71.1 | 0 | 0 | 0 | 0 | 114.4 | R1135 G1159 D1171 L1172 | R1135-C1161 PolarHBondContact NE-SG 2.95Å; R1135-C1161 VanDerWaalsContact NE-SG 3.36Å; G1159-C1161 PolarHBondContact O-N 3.3Å; C1161-D1171 PolarHBondContact SG-O 2.94Å; C1161-L1172 HydrophobicContact CB-CD1 4.02Å |
| 1162 | A | 85.2 | Confident | 85.4 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -10.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1157 G1159 S1160 T1201 A1205 | L1157-A1162 HydrophobicContact CB-CB 4.04Å; L1157-A1162 WeakPolarHBondContact O-CB 3.42Å; G1159-A1162 PolarHBondContact O-N 2.85Å; S1160-A1162 VanDerWaalsContact C-N 3.26Å; S1160-A1162 PolarHBondContact O-N 3.36Å; A1162-T1201 HydrophobicContact CB-CG2 3.63Å; A1162-A1205 WeakPolarHBondContact O-CB 3.37Å |
| 1163 | N | 87.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -89.8 | 6.1 | 179 | 78.9 | -2.1 | 0 | 0 | 0 | 115.1 | G1159 S1160 F1165 T1201 L1204 | G1159-N1163 WeakPolarHBondContact O-CB 3.43Å; G1159-N1163 PolarHBondContact O-N 2.9Å; G1159-N1163 PolarHBondContact O-OD1 2.76Å; S1160-N1163 WeakPolarHBondContact CA-OD1 3.29Å; S1160-N1163 PolarHBondContact O-OD1 3.12Å; N1163-F1165 VanDerWaalsContact C-N 3.29Å; N1163-F1165 HydrophobicContact CB-CD2 4.43Å; N1163-F1165 WeakPolarHBondContact O-CD2 3.28Å; N1163-F1165 WeakPolarHBondContact O-CE2 3.27Å; N1163-F1165 PolarHBondContact O-N 2.93Å; N1163-F1165 WeakPolarHBondContact OD1-CB 3.23Å; N1163-F1165 PolarHBondContact OD1-N 2.77Å; N1163-T1201 HydrophobicContact CB-CG2 3.93Å; N1163-L1204 HydrophobicContact CB-CB 3.83Å; N1163-L1204 HydrophobicContact CB-CD1 4.34Å |
| 1164 | G | 86 | Confident | 85.3 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 85.7 | -18.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1166 R1215 | G1164-D1166 PolarHBondContact O-N 2.95Å; G1164-R1215 WeakPolarHBondContact O-CD 3.19Å; G1164-R1215 PolarHBondContact O-NE 3.12Å |
| 1165 | F | 89.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | trans | -98.6 | 35.1 | -174.6 | -54.8 | -79.1 | 0 | 0 | 0 | 113.3 | N1163 L1204 T1208 L1214 K1222 I1244 | N1163-F1165 VanDerWaalsContact C-N 3.29Å; N1163-F1165 HydrophobicContact CB-CD2 4.43Å; N1163-F1165 WeakPolarHBondContact O-CD2 3.28Å; N1163-F1165 WeakPolarHBondContact O-CE2 3.27Å; N1163-F1165 PolarHBondContact O-N 2.93Å; N1163-F1165 WeakPolarHBondContact OD1-CB 3.23Å; N1163-F1165 PolarHBondContact OD1-N 2.77Å; F1165-L1204 HydrophobicContact CE2-CB 4.23Å; F1165-T1208 HydrophobicContact CD1-CG2 4.43Å; F1165-T1208 HydrophobicContact CE1-CG2 3.68Å; F1165-T1208 HydrophobicContact CE2-CG2 3.76Å; F1165-T1208 HydrophobicContact CZ-CG2 3.29Å; F1165-L1214 HydrophobicContact CE1-CD1 4.37Å; F1165-L1214 HydrophobicContact CE1-CG 3.96Å; F1165-L1214 HydrophobicContact CZ-CD1 4.28Å; F1165-L1214 HydrophobicContact CZ-CD2 3.96Å; F1165-L1214 HydrophobicContact CZ-CG 3.78Å; F1165-K1222 HydrophobicContact CB-CD 4.2Å; F1165-K1222 VanDerWaalsContact O-CD 3.28Å; F1165-K1222 WeakPolarHBondContact O-CD 3.3Å; F1165-K1222 WeakPolarHBondContact O-CE 3.38Å; F1165-K1222 PolarHBondContact O-NZ 3.3Å; F1165-I1244 HydrophobicContact CB-CD1 4.34Å; F1165-I1244 HydrophobicContact CD1-CD1 3.72Å; F1165-I1244 HydrophobicContact CD1-CG1 4.49Å; F1165-I1244 HydrophobicContact CD2-CD1 4.31Å; F1165-I1244 HydrophobicContact CD2-CG1 4.23Å; F1165-I1244 HydrophobicContact CD2-CG2 4.01Å; F1165-I1244 HydrophobicContact CE1-CD1 3.98Å; F1165-I1244 HydrophobicContact CE1-CG2 4.4Å; F1165-I1244 HydrophobicContact CE2-CG2 3.57Å; F1165-I1244 HydrophobicContact CG-CD1 3.88Å; F1165-I1244 HydrophobicContact CG-CG1 4.18Å; F1165-I1244 HydrophobicContact CZ-CD1 4.41Å; F1165-I1244 HydrophobicContact CZ-CG2 3.77Å | ||
| 1166 | D | 86.1 | Confident | 85 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | trans | -72.4 | 153.5 | 178.1 | 90 | -90.2 | 0 | 0 | 0 | 111.9 | R1135 S1160 G1164 | R1135-D1166 IonicContact CZ-OD2 2.82Å; R1135-D1166 VanDerWaalsContact CZ-OD2 3.26Å; R1135-D1166 VanDerWaalsContact NH1-CG 3.29Å; R1135-D1166 IonicContact NH1-OD1 2.58Å; R1135-D1166 IonicContact NH1-OD2 2.65Å; R1135-D1166 PolarHBondContact NH1-OD2 2.86Å; R1135-D1166 IonicContact NH2-OD2 3.87Å; R1135-D1166 PolarHBondContact NH2-OD2 2.95Å; S1160-D1166 WeakPolarHBondContact O-CA 3.44Å; S1160-D1166 VanDerWaalsContact O-CB 3.26Å; S1160-D1166 WeakPolarHBondContact O-CB 3.45Å; S1160-D1166 PolarHBondContact O-N 3.03Å; G1164-D1166 PolarHBondContact O-N 2.95Å | ||
| 1167 | L | 84.6 | Confident | 85 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -108.1 | 160.4 | 161.5 | -62.9 | -179.3 | 0 | 0 | 0 | 108.5 | R1135 T1169 S1170 I1219 K1222 K1226 | R1135-L1167 PolarHBondContact NH2-O 3.44Å; L1167-T1169 PolarHBondContact O-N 3.34Å; L1167-S1170 PolarHBondContact N-OG 3.26Å; L1167-S1170 WeakPolarHBondContact O-CB 3.16Å; L1167-S1170 PolarHBondContact O-N 3.22Å; L1167-I1219 HydrophobicContact CD2-CG2 4Å; L1167-K1222 HydrophobicContact CD1-CB 3.99Å; L1167-K1222 HydrophobicContact CD2-CB 4.39Å; L1167-K1222 HydrophobicContact CG-CB 4.24Å; L1167-K1226 HydrophobicContact CD1-CD 4.17Å | ||
| 1168 | Q | 78.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 18% | 0.178 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -16.5 | 170.2 | -72.2 | -172.6 | 37.6 | 0 | 0 | 114.3 | H1125 K1131 | H1125-Q1168 PolarHBondContact CD2-NE2 2.9Å; H1125-Q1168 VanDerWaalsContact CD2-NE2 3.32Å; H1125-Q1168 PolarHBondContact NE2-NE2 2.9Å; H1125-Q1168 PolarHBondContact O-NE2 2.61Å; K1131-Q1168 HydrophobicContact CD-CG 4.1Å |
| 1169 | T | 76.2 | Confident | 84.5 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 26.3 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | L1167 K1226 | L1167-T1169 PolarHBondContact O-N 3.34Å; T1169-K1226 PolarHBondContact O-NZ 2.89Å; T1169-K1226 PolarHBondContact OG1-NZ 3.42Å |
| 1170 | S | 82.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | trans | -67.6 | 144.9 | 165.3 | -99.9 | 0 | 0 | 0 | 0 | 111 | S1160 L1167 K1222 | S1160-S1170 WeakPolarHBondContact OG-CB 3.19Å; S1160-S1170 PolarHBondContact OG-OG 3.07Å; L1167-S1170 PolarHBondContact N-OG 3.26Å; L1167-S1170 WeakPolarHBondContact O-CB 3.16Å; L1167-S1170 PolarHBondContact O-N 3.22Å; S1170-K1222 PolarHBondContact OG-NZ 3.15Å | ||
| 1171 | D | 83 | Confident | 83.8 | Confident | 124 Ų | 124 | 42.4 Ų | 42.4 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | trans | -67.7 | 159.2 | 167.1 | -57.9 | -53.6 | 0 | 0 | 0 | 110.8 | C1161 | C1161-D1171 PolarHBondContact SG-O 2.94Š| ||
| 1172 | L | 85.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | trans | -103.6 | 90.6 | -174.5 | -168.3 | 68.3 | 0 | 0 | 0 | 111 | R1135 L1138 V1139 L1157 C1161 I1174 | R1135-L1172 HydrophobicContact CB-CD1 3.97Å; R1135-L1172 HydrophobicContact CG-CD1 3.8Å; L1138-L1172 HydrophobicContact CD2-CD2 3.93Å; L1138-L1172 HydrophobicContact CG-CD2 4.43Å; V1139-L1172 HydrophobicContact CG2-CD2 4.27Å; L1157-L1172 HydrophobicContact CD1-CD1 4.49Å; L1157-L1172 HydrophobicContact CD2-CD1 3.47Å; L1157-L1172 VanDerWaalsContact CD2-CD1 3.47Å; L1157-L1172 HydrophobicContact CD2-CG 3.87Å; C1161-L1172 HydrophobicContact CB-CD1 4.02Å; L1172-I1174 HydrophobicContact CD2-CD1 4.18Å; L1172-I1174 HydrophobicContact CG-CD1 4.41Å; L1172-I1174 HydrophobicContact CG-CG1 4.22Å; L1172-I1174 PolarHBondContact O-N 3.11Å | ||
| 1173 | D | 86.8 | Confident | 83.7 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | trans | -75.3 | 109.4 | -178.8 | -48.9 | -60.9 | 0 | 0 | 0 | 110.6 | F1158 G1159 S1160 | F1158-D1173 VanDerWaalsContact CD1-C 3.49Å; F1158-D1173 HydrophobicContact CD1-CB 3.77Å; F1158-D1173 WeakPolarHBondContact CD1-O 3.44Å; F1158-D1173 HydrophobicContact CD2-CB 4.38Å; F1158-D1173 HydrophobicContact CE1-CB 3.7Å; F1158-D1173 HydrophobicContact CE2-CB 4.31Å; F1158-D1173 HydrophobicContact CG-CB 4.13Å; F1158-D1173 HydrophobicContact CZ-CB 3.98Å; F1158-D1173 PolarHBondContact N-O 2.78Å; G1159-D1173 WeakPolarHBondContact CA-OD2 3.25Å; S1160-D1173 PolarHBondContact N-OD2 2.83Å | ||
| 1174 | I | 87.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.4 | -179.9 | -55.9 | 172.5 | 0 | 0 | 0 | 110.1 | V1139 I1142 L1155 L1157 F1158 L1172 | V1139-I1174 HydrophobicContact CG2-CD1 4.08Å; V1139-I1174 HydrophobicContact CG2-CG1 4.28Å; I1142-I1174 HydrophobicContact CD1-CD1 3.68Å; L1155-I1174 HydrophobicContact CB-CG2 4.05Å; L1155-I1174 HydrophobicContact CD1-CG2 4.43Å; L1155-I1174 HydrophobicContact CD2-CG2 4.09Å; L1155-I1174 HydrophobicContact CG-CG2 4.43Å; L1157-I1174 HydrophobicContact CD2-CG1 4Å; F1158-I1174 VanDerWaalsContact CE1-C 3.5Å; L1172-I1174 HydrophobicContact CD2-CD1 4.18Å; L1172-I1174 HydrophobicContact CG-CD1 4.41Å; L1172-I1174 HydrophobicContact CG-CG1 4.22Å; L1172-I1174 PolarHBondContact O-N 3.11Å |
| 1175 | C | 85 | Confident | 83.2 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.1 | 172.2 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | L1155 E1156 F1158 L1198 | L1155-C1175 WeakPolarHBondContact CA-O 3.38Å; E1156-C1175 PolarHBondContact N-O 3.36Å; E1156-C1175 VanDerWaalsContact N-O 3.08Å; E1156-C1175 WeakPolarHBondContact O-CB 3.35Å; E1156-C1175 PolarHBondContact O-N 2.73Å; F1158-C1175 HydrophobicContact CD1-CB 3.8Å; F1158-C1175 HydrophobicContact CE1-CB 4.29Å; F1158-C1175 HydrophobicContact CG-CB 4.45Å; C1175-L1198 HydrophobicContact CB-CD2 4.06Å; C1175-L1198 HydrophobicContact CB-CG 4.43Å |
| 1176 | V | 85.4 | Confident | 82.6 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.9 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | F1146 V1153 L1155 | F1146-V1176 HydrophobicContact CE2-CG2 4.48Å; V1153-V1176 HydrophobicContact CG2-CG1 3.84Å; L1155-V1176 HydrophobicContact CD2-CB 4.17Å; L1155-V1176 HydrophobicContact CD2-CG1 4.03Å; L1155-V1176 HydrophobicContact CD2-CG2 3.78Å |
| 1177 | F | 83 | Confident | 82 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168 | 177.1 | 67.1 | -78.3 | 0 | 0 | 0 | 111.7 | Q1154 E1156 | Q1154-F1177 HydrophobicContact CB-CD1 4.14Å; Q1154-F1177 HydrophobicContact CB-CD2 4.06Å; Q1154-F1177 HydrophobicContact CB-CE1 3.71Å; Q1154-F1177 HydrophobicContact CB-CE2 3.63Å; Q1154-F1177 HydrophobicContact CB-CG 4.3Å; Q1154-F1177 HydrophobicContact CB-CZ 3.44Å; Q1154-F1177 VanDerWaalsContact CB-CZ 3.44Å; Q1154-F1177 HydrophobicContact CG-CE2 4.33Å; Q1154-F1177 HydrophobicContact CG-CZ 4.43Å; Q1154-F1177 PolarHBondContact N-O 3.45Å; Q1154-F1177 WeakPolarHBondContact O-CD1 3.32Å; Q1154-F1177 PolarHBondContact O-N 2.97Å; E1156-F1177 HydrophobicContact CB-CE1 3.92Å |
| 1178 | F | 84.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | trans | -132.2 | 135 | -176.7 | -65.6 | -73.7 | 0 | 0 | 0 | 108.9 | F1150 S1152 V1153 E1184 W1185 L1188 | F1150-F1178 HydrophobicContact CB-CE1 3.94Å; F1150-F1178 HydrophobicContact CB-CZ 4.36Å; F1150-F1178 HydrophobicContact CG-CZ 4.49Å; S1152-F1178 WeakPolarHBondContact OG-CD1 3.46Å; V1153-F1178 HydrophobicContact CB-CD1 4.29Å; V1153-F1178 HydrophobicContact CB-CE1 3.68Å; V1153-F1178 HydrophobicContact CB-CZ 4.43Å; V1153-F1178 HydrophobicContact CG2-CE1 3.84Å; V1153-F1178 HydrophobicContact CG2-CZ 4.15Å; F1178-E1184 HydrophobicContact CB-CB 4.21Å; F1178-E1184 HydrophobicContact CD1-CB 3.47Å; F1178-E1184 VanDerWaalsContact CD1-CB 3.47Å; F1178-E1184 HydrophobicContact CD1-CG 4.05Å; F1178-E1184 HydrophobicContact CD2-CB 3.84Å; F1178-E1184 HydrophobicContact CE1-CB 3.65Å; F1178-E1184 HydrophobicContact CE1-CG 3.8Å; F1178-E1184 HydrophobicContact CE2-CB 4.01Å; F1178-E1184 HydrophobicContact CG-CB 3.56Å; F1178-E1184 HydrophobicContact CZ-CB 3.92Å; F1178-E1184 HydrophobicContact CZ-CG 4.14Å; F1178-W1185 HydrophobicContact CB-CB 4.05Å; F1178-L1188 HydrophobicContact CD2-CD1 3.69Å; F1178-L1188 HydrophobicContact CE2-CD1 3.59Å | ||
| 1179 | P | 80.6 | Confident | 80.7 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | trans | -56.4 | 143.7 | 177.3 | -27.7 | 35.7 | 0 | 0 | 0 | 112.6 | S1152 Q1154 G1181 S1182 W1185 | S1152-P1179 WeakPolarHBondContact O-CD 3.29Å; Q1154-P1179 HydrophobicContact CG-CG 4.37Å; P1179-G1181 PolarHBondContact O-N 2.69Å; P1179-S1182 VanDerWaalsContact O-CB 3.27Å; P1179-S1182 WeakPolarHBondContact O-CB 3.24Å; P1179-S1182 PolarHBondContact O-N 3.4Å; P1179-S1182 PolarHBondContact O-OG 2.84Å; P1179-W1185 VanDerWaalsContact O-CB 3.25Å; P1179-W1185 WeakPolarHBondContact O-CB 3.2Å | ||
| 1180 | V | 79.1 | Confident | 79.8 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 72% | 0.715 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | S1182 W1185 | V1180-S1182 VanDerWaalsContact C-N 3.31Å; V1180-S1182 PolarHBondContact O-N 3.27Å; V1180-W1185 HydrophobicContact CG1-CD2 4.44Å; V1180-W1185 HydrophobicContact CG1-CH2 4.05Å; V1180-W1185 HydrophobicContact CG1-CZ2 3.96Å; V1180-W1185 HydrophobicContact CG1-CZ3 4.32Å; V1180-W1185 HydrophobicContact CG2-CZ2 4.39Å |
| 1181 | G | 78.4 | Confident | 78.4 | Confident | 50 Ų | 50 | 76 Ų | 76 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -3.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | P1179 | P1179-G1181 PolarHBondContact O-N 2.69Š|
| 1182 | S | 84 | Confident | 76.8 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -74.6 | 152.5 | 168.8 | 65.6 | 0 | 0 | 0 | 0 | 111.8 | P1179 V1180 E1184 W1185 H1186 | P1179-S1182 VanDerWaalsContact O-CB 3.27Å; P1179-S1182 WeakPolarHBondContact O-CB 3.24Å; P1179-S1182 PolarHBondContact O-N 3.4Å; P1179-S1182 PolarHBondContact O-OG 2.84Å; V1180-S1182 VanDerWaalsContact C-N 3.31Å; V1180-S1182 PolarHBondContact O-N 3.27Å; S1182-E1184 VanDerWaalsContact C-N 3.26Å; S1182-E1184 PolarHBondContact O-N 3.18Å; S1182-W1185 WeakPolarHBondContact O-CB 3.45Å; S1182-W1185 PolarHBondContact O-N 3.35Å; S1182-W1185 VanDerWaalsContact OG-CB 3.3Å; S1182-W1185 WeakPolarHBondContact OG-CB 3.47Å; S1182-W1185 PolarHBondContact OG-N 3.34Å; S1182-H1186 PolarHBondContact O-CD2 3.12Å; S1182-H1186 VanDerWaalsContact O-CD2 3.25Å; S1182-H1186 PolarHBondContact O-N 3.25Å; S1182-H1186 VanDerWaalsContact O-N 3.11Å |
| 1183 | T | 83.4 | Confident | 75.2 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 60% | 0.595 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -53.8 | -44.9 | -179.9 | -15.1 | 0 | 0 | 0 | 0 | 112 | H1186 Y1187 | T1183-H1186 PolarHBondContact O-N 2.98Å; T1183-Y1187 VanDerWaalsContact O-CD2 3.29Å; T1183-Y1187 WeakPolarHBondContact O-CD2 3.2Å; T1183-Y1187 PolarHBondContact O-N 2.75Å |
| 1184 | E | 82.1 | Confident | 73.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 15% | 0.145 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 179.6 | -65.4 | 86.4 | 165.4 | 0 | 0 | 112.6 | F1150 S1152 F1178 S1182 Y1187 L1188 | F1150-E1184 HydrophobicContact CD1-CG 3.9Å; S1152-E1184 PolarHBondContact OG-OE1 3.1Å; S1152-E1184 PolarHBondContact OG-OE2 3.14Å; F1178-E1184 HydrophobicContact CB-CB 4.21Å; F1178-E1184 HydrophobicContact CD1-CB 3.47Å; F1178-E1184 VanDerWaalsContact CD1-CB 3.47Å; F1178-E1184 HydrophobicContact CD1-CG 4.05Å; F1178-E1184 HydrophobicContact CD2-CB 3.84Å; F1178-E1184 HydrophobicContact CE1-CB 3.65Å; F1178-E1184 HydrophobicContact CE1-CG 3.8Å; F1178-E1184 HydrophobicContact CE2-CB 4.01Å; F1178-E1184 HydrophobicContact CG-CB 3.56Å; F1178-E1184 HydrophobicContact CZ-CB 3.92Å; F1178-E1184 HydrophobicContact CZ-CG 4.14Å; S1182-E1184 VanDerWaalsContact C-N 3.26Å; S1182-E1184 PolarHBondContact O-N 3.18Å; E1184-Y1187 PolarHBondContact O-N 3.02Å; E1184-L1188 WeakPolarHBondContact O-CB 3.48Å; E1184-L1188 WeakPolarHBondContact O-CG 3.45Å; E1184-L1188 PolarHBondContact O-N 3.31Å |
| 1185 | W | 80.5 | Confident | 72.8 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 26% | 0.261 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 173.3 | 179.6 | 89.1 | 0 | 0 | 0 | 111.7 | F1178 P1179 V1180 S1182 Y1187 L1188 K1189 | F1178-W1185 HydrophobicContact CB-CB 4.05Å; P1179-W1185 VanDerWaalsContact O-CB 3.25Å; P1179-W1185 WeakPolarHBondContact O-CB 3.2Å; V1180-W1185 HydrophobicContact CG1-CD2 4.44Å; V1180-W1185 HydrophobicContact CG1-CH2 4.05Å; V1180-W1185 HydrophobicContact CG1-CZ2 3.96Å; V1180-W1185 HydrophobicContact CG1-CZ3 4.32Å; V1180-W1185 HydrophobicContact CG2-CZ2 4.39Å; S1182-W1185 WeakPolarHBondContact O-CB 3.45Å; S1182-W1185 PolarHBondContact O-N 3.35Å; S1182-W1185 VanDerWaalsContact OG-CB 3.3Å; S1182-W1185 WeakPolarHBondContact OG-CB 3.47Å; S1182-W1185 PolarHBondContact OG-N 3.34Å; W1185-Y1187 VanDerWaalsContact C-N 3.25Å; W1185-Y1187 PolarHBondContact O-N 3.41Å; W1185-L1188 CarbonylContact O-C 3.55Å; W1185-L1188 PolarHBondContact O-N 3.2Å; W1185-K1189 HydrophobicContact CZ2-CB 4.44Å; W1185-K1189 PolarHBondContact O-N 2.85Å |
| 1186 | H | 77.3 | Confident | 72.4 | Confident | 112 Ų | 112 | 77.1 Ų | 77.1 | 52% | 0.519 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.2 | -31.7 | 176.2 | -74.8 | -73.8 | 0 | 0 | 0 | 113.2 | S1182 T1183 L1188 | S1182-H1186 PolarHBondContact O-CD2 3.12Å; S1182-H1186 VanDerWaalsContact O-CD2 3.25Å; S1182-H1186 PolarHBondContact O-N 3.25Å; S1182-H1186 VanDerWaalsContact O-N 3.11Å; T1183-H1186 PolarHBondContact O-N 2.98Å; H1186-L1188 VanDerWaalsContact C-N 3.3Å; H1186-L1188 PolarHBondContact O-N 3.15Å |
| 1187 | Y | 73.9 | Confident | 72.1 | Confident | 200 Ų | 200 | 75.8 Ų | 75.8 | 78% | 0.784 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -9 | 173.4 | -82.8 | -70.2 | 0 | 0 | 0 | 114.7 | T1183 E1184 W1185 | T1183-Y1187 VanDerWaalsContact O-CD2 3.29Å; T1183-Y1187 WeakPolarHBondContact O-CD2 3.2Å; T1183-Y1187 PolarHBondContact O-N 2.75Å; E1184-Y1187 PolarHBondContact O-N 3.02Å; W1185-Y1187 VanDerWaalsContact C-N 3.25Å; W1185-Y1187 PolarHBondContact O-N 3.41Å |
| 1188 | L | 68.6 | Low | 72.1 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -0.8 | -170.3 | -68.5 | 173.4 | 0 | 0 | 0 | 114.7 | F1178 E1184 W1185 H1186 D1190 K1191 | F1178-L1188 HydrophobicContact CD2-CD1 3.69Å; F1178-L1188 HydrophobicContact CE2-CD1 3.59Å; E1184-L1188 WeakPolarHBondContact O-CB 3.48Å; E1184-L1188 WeakPolarHBondContact O-CG 3.45Å; E1184-L1188 PolarHBondContact O-N 3.31Å; W1185-L1188 CarbonylContact O-C 3.55Å; W1185-L1188 PolarHBondContact O-N 3.2Å; H1186-L1188 VanDerWaalsContact C-N 3.3Å; H1186-L1188 PolarHBondContact O-N 3.15Å; L1188-D1190 PolarHBondContact O-N 2.84Å; L1188-K1191 HydrophobicContact CD2-CD 4.45Å; L1188-K1191 PolarHBondContact O-N 3.17Å |
| 1189 | K | 66.5 | Low | 72.2 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -52 | -29.9 | -175.2 | 69.2 | 164.5 | -159.2 | 177 | 0 | 114.3 | E616 W1185 K1191 N1192 | E616-K1189 IonicContact OE1-NZ 2.68Å; E616-K1189 PolarHBondContact OE1-NZ 3.1Å; E616-K1189 IonicContact OE2-NZ 3.17Å; E616-K1189 PolarHBondContact OE2-NZ 3.02Å; W1185-K1189 HydrophobicContact CZ2-CB 4.44Å; W1185-K1189 PolarHBondContact O-N 2.85Å; K1189-K1191 PolarHBondContact O-N 3.48Å; K1189-N1192 VanDerWaalsContact O-CG 3.24Å; K1189-N1192 PolarHBondContact O-ND2 2.8Å; K1189-N1192 PolarHBondContact O-OD1 3.47Å |
| 1190 | D | 57.2 | Low | 72.6 | Confident | 140 Ų | 140 | 71.7 Ų | 71.7 | 75% | 0.749 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -78.8 | 0.6 | -177.8 | -49.2 | -41.8 | 0 | 0 | 0 | 113.5 | L1188 | L1188-D1190 PolarHBondContact O-N 2.84Š|
| 1191 | K | 54.2 | Low | 73.2 | Confident | 161 Ų | 161 | 66.5 Ų | 66.5 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -120.7 | 33 | -171.6 | -62.5 | -174.2 | 179.2 | 176.7 | 0 | 114.2 | L1188 K1189 A1193 | L1188-K1191 HydrophobicContact CD2-CD 4.45Å; L1188-K1191 PolarHBondContact O-N 3.17Å; K1189-K1191 PolarHBondContact O-N 3.48Å; K1191-A1193 PolarHBondContact O-N 3.08Å |
| 1192 | N | 50.1 | Low | 73.8 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | trans | -63.1 | 32 | -171.4 | -74.8 | -28.7 | 0 | 0 | 0 | 118.2 | K1189 T1194 N1275 | K1189-N1192 VanDerWaalsContact O-CG 3.24Å; K1189-N1192 PolarHBondContact O-ND2 2.8Å; K1189-N1192 PolarHBondContact O-OD1 3.47Å; N1192-T1194 VanDerWaalsContact C-N 3.3Å; N1192-T1194 PolarHBondContact O-N 3.2Å; N1192-N1275 PolarHBondContact O-ND2 3.49Å; N1192-N1275 PolarHBondContact O-OD1 2.9Å | ||
| 1193 | A | 51.5 | Low | 74.3 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | trans | -68 | -22.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1191 | K1191-A1193 PolarHBondContact O-N 3.08Š| ||
| 1194 | T | 56.4 | Low | 74.9 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.8 | -38.2 | -166.6 | 35.4 | 0 | 0 | 0 | 0 | 115.4 | N1192 M1196 A1197 | N1192-T1194 VanDerWaalsContact C-N 3.3Å; N1192-T1194 PolarHBondContact O-N 3.2Å; T1194-M1196 PolarHBondContact O-N 3.49Å; T1194-A1197 PolarHBondContact O-N 3.27Å |
| 1195 | N | 67.5 | Low | 75.4 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -34.1 | -169.7 | -71.2 | -9 | 0 | 0 | 0 | 113.8 | A1197 L1198 S1199 V1274 | N1195-A1197 VanDerWaalsContact C-N 3.31Å; N1195-A1197 PolarHBondContact O-N 2.99Å; N1195-L1198 PolarHBondContact O-N 3.24Å; N1195-S1199 PolarHBondContact O-N 2.93Å; N1195-S1199 VanDerWaalsContact O-N 3.16Å; N1195-S1199 PolarHBondContact O-OG 3.14Å; N1195-V1274 HydrophobicContact CB-CG1 3.62Å |
| 1196 | M | 75.8 | Confident | 76.1 | Confident | 33 Ų | 33 | 62.1 Ų | 62.1 | 16% | 0.163 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -34.4 | -179.6 | -59.6 | -178.5 | -55.7 | 0 | 0 | 112.3 | T1194 L1198 S1199 N1200 V1274 N1275 | T1194-M1196 PolarHBondContact O-N 3.49Å; M1196-L1198 VanDerWaalsContact C-N 3.34Å; M1196-S1199 PolarHBondContact O-N 3.28Å; M1196-N1200 WeakPolarHBondContact O-CB 3.33Å; M1196-N1200 PolarHBondContact O-N 2.87Å; M1196-V1274 HydrophobicContact CG-CG1 3.92Å; M1196-N1275 HydrophobicContact SD-CB 4.01Å |
| 1197 | A | 79.8 | Confident | 77 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 26% | 0.264 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1158 T1194 N1195 T1201 | F1158-A1197 HydrophobicContact CD2-CB 3.83Å; F1158-A1197 HydrophobicContact CE2-CB 3.93Å; T1194-A1197 PolarHBondContact O-N 3.27Å; N1195-A1197 VanDerWaalsContact C-N 3.31Å; N1195-A1197 PolarHBondContact O-N 2.99Å; A1197-T1201 WeakPolarHBondContact O-CB 3.25Å; A1197-T1201 PolarHBondContact O-N 3.13Å; A1197-T1201 PolarHBondContact O-OG1 2.87Å |
| 1198 | L | 83.4 | Confident | 77.9 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 172.5 | -68.9 | 174.2 | 0 | 0 | 0 | 111.2 | E1156 F1158 C1175 N1195 M1196 N1200 T1201 R1202 | E1156-L1198 HydrophobicContact CB-CD2 4.2Å; E1156-L1198 HydrophobicContact CG-CD2 3.93Å; F1158-L1198 HydrophobicContact CB-CD2 3.82Å; C1175-L1198 HydrophobicContact CB-CD2 4.06Å; C1175-L1198 HydrophobicContact CB-CG 4.43Å; N1195-L1198 PolarHBondContact O-N 3.24Å; M1196-L1198 VanDerWaalsContact C-N 3.34Å; L1198-N1200 PolarHBondContact O-N 3.39Å; L1198-T1201 PolarHBondContact O-N 3.23Å; L1198-R1202 WeakPolarHBondContact O-CB 3.43Å; L1198-R1202 VanDerWaalsContact O-CG 3.31Å; L1198-R1202 WeakPolarHBondContact O-CG 3.3Å; L1198-R1202 PolarHBondContact O-N 3.17Å |
| 1199 | S | 86.2 | Confident | 79.1 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 112 | N1195 M1196 T1201 R1202 M1203 | N1195-S1199 PolarHBondContact O-N 2.93Å; N1195-S1199 VanDerWaalsContact O-N 3.16Å; N1195-S1199 PolarHBondContact O-OG 3.14Å; M1196-S1199 PolarHBondContact O-N 3.28Å; S1199-T1201 VanDerWaalsContact C-N 3.32Å; S1199-T1201 PolarHBondContact O-N 2.94Å; S1199-R1202 PolarHBondContact O-N 3.14Å; S1199-M1203 WeakPolarHBondContact O-CB 3.44Å; S1199-M1203 PolarHBondContact O-N 3.31Å |
| 1200 | N | 89.6 | Confident | 80.4 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 176.5 | -93.6 | -33.8 | 0 | 0 | 0 | 112.1 | M1196 L1198 L1204 Y1241 D1346 P1347 F1348 | M1196-N1200 WeakPolarHBondContact O-CB 3.33Å; M1196-N1200 PolarHBondContact O-N 2.87Å; L1198-N1200 PolarHBondContact O-N 3.39Å; N1200-L1204 WeakPolarHBondContact O-CB 3.4Å; N1200-L1204 WeakPolarHBondContact O-CG 3.26Å; N1200-L1204 PolarHBondContact O-N 3.17Å; N1200-L1204 VanDerWaalsContact O-N 3.15Å; N1200-Y1241 HydrophobicContact CB-CE2 4.26Å; N1200-Y1241 PolarHBondContact ND2-OH 2.71Å; N1200-Y1241 PolarHBondContact OD1-OH 2.98Å; N1200-D1346 PolarHBondContact ND2-OD1 3.12Å; N1200-P1347 VanDerWaalsContact OD1-CG 3.25Å; N1200-P1347 WeakPolarHBondContact OD1-CG 3.29Å; N1200-F1348 VanDerWaalsContact OD1-CD2 3.23Å; N1200-F1348 WeakPolarHBondContact OD1-CD2 3.39Å; N1200-F1348 WeakPolarHBondContact OD1-CE2 3.4Å |
| 1201 | T | 89.9 | Confident | 82.1 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -47.7 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | F1158 G1159 A1162 N1163 A1197 L1198 S1199 L1204 A1205 | F1158-T1201 HydrophobicContact CB-CG2 4.41Å; G1159-T1201 PolarHBondContact N-OG1 3.16Å; A1162-T1201 HydrophobicContact CB-CG2 3.63Å; N1163-T1201 HydrophobicContact CB-CG2 3.93Å; A1197-T1201 WeakPolarHBondContact O-CB 3.25Å; A1197-T1201 PolarHBondContact O-N 3.13Å; A1197-T1201 PolarHBondContact O-OG1 2.87Å; L1198-T1201 PolarHBondContact O-N 3.23Å; S1199-T1201 VanDerWaalsContact C-N 3.32Å; S1199-T1201 PolarHBondContact O-N 2.94Å; T1201-L1204 PolarHBondContact O-N 3.21Å; T1201-A1205 WeakPolarHBondContact O-CB 3.05Å; T1201-A1205 PolarHBondContact O-N 3.25Å |
| 1202 | R | 91.8 | Very high | 83.9 | Confident | 125 Ų | 125 | 40.9 Ų | 40.9 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.5 | -34.2 | -177.7 | -67.8 | 172.1 | -176.1 | 177.7 | 1.6 | 112.6 | E1156 L1198 S1199 F1206 Y1281 | E1156-R1202 IonicContact OE1-CZ 2.71Å; E1156-R1202 IonicContact OE1-NE 3.6Å; E1156-R1202 PolarHBondContact OE1-NE 2.88Å; E1156-R1202 VanDerWaalsContact OE1-NE 3.09Å; E1156-R1202 IonicContact OE1-NH2 2.68Å; E1156-R1202 PolarHBondContact OE1-NH2 3.41Å; E1156-R1202 IonicContact OE2-CZ 2.56Å; E1156-R1202 IonicContact OE2-NH2 2.95Å; E1156-R1202 PolarHBondContact OE2-NH2 3.4Å; L1198-R1202 WeakPolarHBondContact O-CB 3.43Å; L1198-R1202 VanDerWaalsContact O-CG 3.31Å; L1198-R1202 WeakPolarHBondContact O-CG 3.3Å; L1198-R1202 PolarHBondContact O-N 3.17Å; S1199-R1202 PolarHBondContact O-N 3.14Å; R1202-F1206 WeakPolarHBondContact O-CB 3.11Å; R1202-F1206 PolarHBondContact O-N 3.14Å; R1202-F1206 VanDerWaalsContact O-N 3.12Å; R1202-Y1281 VanDerWaalsContact C-OH 3.23Å; R1202-Y1281 PolarHBondContact O-OH 3.08Å |
| 1203 | M | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 173.2 | -173.7 | 177.8 | 65.7 | 0 | 0 | 111.5 | S1199 A1205 F1206 Y1207 L1260 Q1261 Y1281 I1325 P1347 F1348 | S1199-M1203 WeakPolarHBondContact O-CB 3.44Å; S1199-M1203 PolarHBondContact O-N 3.31Å; M1203-A1205 PolarHBondContact O-N 3.33Å; M1203-F1206 WeakPolarHBondContact O-CA 3.2Å; M1203-F1206 WeakPolarHBondContact O-CB 3.18Å; M1203-F1206 PolarHBondContact O-N 3.37Å; M1203-Y1207 HydrophobicContact CE-CE2 4.22Å; M1203-Y1207 HydrophobicContact CG-CD2 3.99Å; M1203-Y1207 HydrophobicContact CG-CE2 3.68Å; M1203-Y1207 VanDerWaalsContact O-CD2 3.31Å; M1203-Y1207 WeakPolarHBondContact O-CD2 3.37Å; M1203-Y1207 PolarHBondContact O-N 3.33Å; M1203-Y1207 HydrophobicContact SD-CE2 4.01Å; M1203-L1260 HydrophobicContact CG-CD1 4.48Å; M1203-Q1261 HydrophobicContact SD-CG 4.16Å; M1203-Y1281 HydrophobicContact CB-CD1 3.98Å; M1203-Y1281 HydrophobicContact CB-CD2 4.17Å; M1203-Y1281 HydrophobicContact CB-CE1 3.8Å; M1203-Y1281 HydrophobicContact CB-CE2 4Å; M1203-Y1281 HydrophobicContact CB-CG 4.17Å; M1203-Y1281 HydrophobicContact CG-CD1 4.06Å; M1203-Y1281 HydrophobicContact CG-CD2 3.72Å; M1203-Y1281 HydrophobicContact CG-CE1 4.32Å; M1203-Y1281 HydrophobicContact CG-CE2 3.99Å; M1203-Y1281 HydrophobicContact CG-CG 3.76Å; M1203-Y1281 PolarHBondContact N-OH 3.22Å; M1203-Y1281 HydrophobicContact SD-CD1 4.26Å; M1203-Y1281 HydrophobicContact SD-CD2 4.44Å; M1203-Y1281 HydrophobicContact SD-CG 3.96Å; M1203-I1325 HydrophobicContact CE-CD1 3.94Å; M1203-P1347 HydrophobicContact CE-CB 3.86Å; M1203-P1347 HydrophobicContact CE-CG 3.6Å; M1203-F1348 HydrophobicContact CB-CZ 4.35Å; M1203-F1348 HydrophobicContact CE-CE1 4.48Å; M1203-F1348 HydrophobicContact CE-CE2 4.16Å; M1203-F1348 HydrophobicContact CE-CZ 3.89Å; M1203-F1348 HydrophobicContact SD-CE1 4.18Å; M1203-F1348 HydrophobicContact SD-CE2 4.41Å; M1203-F1348 HydrophobicContact SD-CZ 3.64Å |
| 1204 | L | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.9 | -74.8 | -174.2 | 0 | 0 | 0 | 112.7 | N1163 F1165 N1200 T1201 F1206 Y1207 T1208 Y1241 I1244 I1245 I1248 | N1163-L1204 HydrophobicContact CB-CB 3.83Å; N1163-L1204 HydrophobicContact CB-CD1 4.34Å; F1165-L1204 HydrophobicContact CE2-CB 4.23Å; N1200-L1204 WeakPolarHBondContact O-CB 3.4Å; N1200-L1204 WeakPolarHBondContact O-CG 3.26Å; N1200-L1204 PolarHBondContact O-N 3.17Å; N1200-L1204 VanDerWaalsContact O-N 3.15Å; T1201-L1204 PolarHBondContact O-N 3.21Å; L1204-F1206 PolarHBondContact O-N 3.26Å; L1204-Y1207 PolarHBondContact O-N 2.97Å; L1204-T1208 PolarHBondContact O-N 3.44Å; L1204-Y1241 HydrophobicContact CD1-CD2 3.7Å; L1204-Y1241 HydrophobicContact CD1-CE2 3.65Å; L1204-Y1241 HydrophobicContact CG-CE2 4.46Å; L1204-I1244 HydrophobicContact CD1-CG2 4.27Å; L1204-I1244 HydrophobicContact CD2-CG2 3.8Å; L1204-I1245 HydrophobicContact CD2-CD1 4.45Å; L1204-I1248 HydrophobicContact CD2-CD1 3.26Å |
| 1205 | A | 92.4 | Very high | 89.8 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 20% | 0.198 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.1 | -18.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1162 T1201 M1203 T1208 | A1162-A1205 WeakPolarHBondContact O-CB 3.37Å; T1201-A1205 WeakPolarHBondContact O-CB 3.05Å; T1201-A1205 PolarHBondContact O-N 3.25Å; M1203-A1205 PolarHBondContact O-N 3.33Å; A1205-T1208 PolarHBondContact O-OG1 2.81Å |
| 1206 | F | 95.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 10% | 0.101 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -87.8 | -39.1 | 175.6 | -161.4 | -84.8 | 0 | 0 | 0 | 111.5 | R1202 M1203 L1204 T1208 K1209 V1210 L1260 Y1281 N1283 L1285 I1288 | R1202-F1206 WeakPolarHBondContact O-CB 3.11Å; R1202-F1206 PolarHBondContact O-N 3.14Å; R1202-F1206 VanDerWaalsContact O-N 3.12Å; M1203-F1206 WeakPolarHBondContact O-CA 3.2Å; M1203-F1206 WeakPolarHBondContact O-CB 3.18Å; M1203-F1206 PolarHBondContact O-N 3.37Å; L1204-F1206 PolarHBondContact O-N 3.26Å; F1206-T1208 VanDerWaalsContact C-N 3.26Å; F1206-T1208 PolarHBondContact O-N 2.77Å; F1206-K1209 HydrophobicContact CD2-CD 4.39Å; F1206-K1209 WeakPolarHBondContact O-CA 3.17Å; F1206-K1209 WeakPolarHBondContact O-CB 3.37Å; F1206-K1209 PolarHBondContact O-N 2.94Å; F1206-V1210 HydrophobicContact CD1-CG2 3.82Å; F1206-V1210 HydrophobicContact CE1-CG2 3.6Å; F1206-V1210 PolarHBondContact O-N 2.98Å; F1206-L1260 HydrophobicContact CD1-CD1 3.89Å; F1206-Y1281 HydrophobicContact CB-CE2 4.03Å; F1206-Y1281 HydrophobicContact CG-CE2 4.31Å; F1206-N1283 HydrophobicContact CD2-CB 4.22Å; F1206-N1283 HydrophobicContact CE2-CB 4.22Å; F1206-N1283 WeakPolarHBondContact CE2-O 3.19Å; F1206-N1283 WeakPolarHBondContact CZ-O 3.14Å; F1206-L1285 HydrophobicContact CE1-CD1 4.01Å; F1206-L1285 HydrophobicContact CZ-CB 4.45Å; F1206-L1285 HydrophobicContact CZ-CD1 3.88Å; F1206-I1288 HydrophobicContact CD1-CD1 4.47Å; F1206-I1288 HydrophobicContact CE1-CD1 3.54Å; F1206-I1288 HydrophobicContact CZ-CD1 4.28Å |
| 1207 | Y | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.2 | -40.1 | 173 | -84.4 | -67.7 | 0 | 0 | 0 | 112.8 | M1203 L1204 K1209 V1210 E1211 I1248 Q1252 L1257 P1258 L1260 I1325 | M1203-Y1207 HydrophobicContact CE-CE2 4.22Å; M1203-Y1207 HydrophobicContact CG-CD2 3.99Å; M1203-Y1207 HydrophobicContact CG-CE2 3.68Å; M1203-Y1207 VanDerWaalsContact O-CD2 3.31Å; M1203-Y1207 WeakPolarHBondContact O-CD2 3.37Å; M1203-Y1207 PolarHBondContact O-N 3.33Å; M1203-Y1207 HydrophobicContact SD-CE2 4.01Å; L1204-Y1207 PolarHBondContact O-N 2.97Å; Y1207-K1209 PolarHBondContact O-N 2.87Å; Y1207-V1210 PolarHBondContact O-N 3.47Å; Y1207-V1210 VanDerWaalsContact O-N 3.13Å; Y1207-E1211 PolarHBondContact O-N 2.92Å; Y1207-E1211 VanDerWaalsContact O-N 3.11Å; Y1207-I1248 HydrophobicContact CD2-CD1 3.95Å; Y1207-I1248 HydrophobicContact CE1-CG2 4.21Å; Y1207-I1248 HydrophobicContact CE2-CD1 4.47Å; Y1207-I1248 HydrophobicContact CE2-CG2 4.35Å; Y1207-I1248 HydrophobicContact CG-CD1 4.13Å; Y1207-Q1252 PolarHBondContact OH-NE2 2.86Å; Y1207-L1257 HydrophobicContact CD1-CD1 3.97Å; Y1207-L1257 HydrophobicContact CD1-CD2 3.68Å; Y1207-L1257 HydrophobicContact CD1-CG 3.78Å; Y1207-L1257 HydrophobicContact CE1-CD2 4Å; Y1207-L1257 HydrophobicContact CE1-CG 4Å; Y1207-L1257 HydrophobicContact CG-CD2 4.49Å; Y1207-P1258 WeakPolarHBondContact CE1-O 3.48Å; Y1207-L1260 HydrophobicContact CD1-CD1 3.76Å; Y1207-L1260 HydrophobicContact CD1-CG 4.12Å; Y1207-L1260 HydrophobicContact CD2-CD1 3.96Å; Y1207-L1260 HydrophobicContact CE1-CB 4.47Å; Y1207-L1260 HydrophobicContact CE1-CD1 3.65Å; Y1207-L1260 HydrophobicContact CE1-CG 3.58Å; Y1207-L1260 HydrophobicContact CE2-CD1 3.82Å; Y1207-L1260 HydrophobicContact CE2-CG 4.31Å; Y1207-L1260 HydrophobicContact CG-CD1 3.93Å; Y1207-L1260 PolarHBondContact OH-N 3.04Å; Y1207-I1325 HydrophobicContact CE2-CD1 4.16Å |
| 1208 | T | 93 | Very high | 92.7 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 14% | 0.135 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.3 | -8.9 | 175.1 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | F1165 L1204 A1205 F1206 L1214 R1215 | F1165-T1208 HydrophobicContact CD1-CG2 4.43Å; F1165-T1208 HydrophobicContact CE1-CG2 3.68Å; F1165-T1208 HydrophobicContact CE2-CG2 3.76Å; F1165-T1208 HydrophobicContact CZ-CG2 3.29Å; L1204-T1208 PolarHBondContact O-N 3.44Å; A1205-T1208 PolarHBondContact O-OG1 2.81Å; F1206-T1208 VanDerWaalsContact C-N 3.26Å; F1206-T1208 PolarHBondContact O-N 2.77Å; T1208-L1214 HydrophobicContact CG2-CD2 4.33Å; T1208-L1214 HydrophobicContact CG2-CG 4.45Å; T1208-R1215 HydrophobicContact CG2-CB 4Å; T1208-R1215 HydrophobicContact CG2-CG 4.44Å |
| 1209 | K | 93 | Very high | 93.1 | Very high | 138 Ų | 138 | 28 Ų | 28 | 60% | 0.6 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -94.2 | -23.8 | 170.9 | -60.4 | 178.2 | -176.8 | -177 | 0 | 112.7 | F1206 Y1207 | F1206-K1209 HydrophobicContact CD2-CD 4.39Å; F1206-K1209 WeakPolarHBondContact O-CA 3.17Å; F1206-K1209 WeakPolarHBondContact O-CB 3.37Å; F1206-K1209 PolarHBondContact O-N 2.94Å; Y1207-K1209 PolarHBondContact O-N 2.87Å |
| 1210 | V | 94 | Very high | 93.4 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 17% | 0.17 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -78.3 | -41.9 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | F1206 Y1207 L1257 P1258 L1260 L1285 I1288 | F1206-V1210 HydrophobicContact CD1-CG2 3.82Å; F1206-V1210 HydrophobicContact CE1-CG2 3.6Å; F1206-V1210 PolarHBondContact O-N 2.98Å; Y1207-V1210 PolarHBondContact O-N 3.47Å; Y1207-V1210 VanDerWaalsContact O-N 3.13Å; V1210-L1257 HydrophobicContact CG1-CD1 4.38Å; V1210-P1258 HydrophobicContact CG1-CG 3.85Å; V1210-L1260 HydrophobicContact CG2-CD2 4.39Å; V1210-L1285 HydrophobicContact CG2-CD1 3.82Å; V1210-I1288 HydrophobicContact CG1-CG2 4.23Å; V1210-I1288 HydrophobicContact CG2-CD1 3.92Å |
| 1211 | E | 93.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | trans | -135 | 101.2 | 175 | 174.6 | 48.9 | -82.6 | 0 | 0 | 109.4 | Y1207 K1213 L1214 L1257 | Y1207-E1211 PolarHBondContact O-N 2.92Å; Y1207-E1211 VanDerWaalsContact O-N 3.11Å; E1211-K1213 VanDerWaalsContact C-N 3.26Å; E1211-K1213 HydrophobicContact CG-CB 4.22Å; E1211-K1213 PolarHBondContact O-N 3.24Å; E1211-K1213 VanDerWaalsContact OE1-CB 3.25Å; E1211-K1213 WeakPolarHBondContact OE1-CB 3.36Å; E1211-K1213 VanDerWaalsContact OE1-CE 3.26Å; E1211-K1213 WeakPolarHBondContact OE1-CE 3.44Å; E1211-K1213 VanDerWaalsContact OE1-CG 3.3Å; E1211-K1213 WeakPolarHBondContact OE1-CG 3.38Å; E1211-K1213 PolarHBondContact OE1-N 3.48Å; E1211-K1213 WeakPolarHBondContact OE2-CE 3.26Å; E1211-K1213 IonicContact OE2-NZ 2.73Å; E1211-K1213 PolarHBondContact OE2-NZ 3.1Å; E1211-L1214 HydrophobicContact CG-CB 4.36Å; E1211-L1214 VanDerWaalsContact O-CB 3.25Å; E1211-L1214 WeakPolarHBondContact O-CB 3.44Å; E1211-L1214 PolarHBondContact O-N 2.82Å; E1211-L1257 HydrophobicContact CB-CD1 3.61Å; E1211-L1257 HydrophobicContact CG-CD1 4.49Å | ||
| 1212 | P | 91.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 26.6 Ų | 26.6 | 56% | 0.558 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36.8 | 176.7 | -27.6 | 36.5 | 0 | 0 | 0 | 113.8 | L1214 R1215 | P1212-L1214 PolarHBondContact O-N 3.11Å; P1212-L1214 VanDerWaalsContact O-N 3.07Å; P1212-R1215 WeakPolarHBondContact O-CB 3.47Å; P1212-R1215 PolarHBondContact O-N 2.98Å |
| 1213 | K | 93.9 | Very high | 93.5 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 16% | 0.157 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -23.6 | -179.3 | -61.8 | 179.2 | -65 | -177.8 | 0 | 112.8 | E1211 R1215 T1216 L1217 P1297 Q1299 V1301 M1304 | E1211-K1213 VanDerWaalsContact C-N 3.26Å; E1211-K1213 HydrophobicContact CG-CB 4.22Å; E1211-K1213 PolarHBondContact O-N 3.24Å; E1211-K1213 VanDerWaalsContact OE1-CB 3.25Å; E1211-K1213 WeakPolarHBondContact OE1-CB 3.36Å; E1211-K1213 VanDerWaalsContact OE1-CE 3.26Å; E1211-K1213 WeakPolarHBondContact OE1-CE 3.44Å; E1211-K1213 VanDerWaalsContact OE1-CG 3.3Å; E1211-K1213 WeakPolarHBondContact OE1-CG 3.38Å; E1211-K1213 PolarHBondContact OE1-N 3.48Å; E1211-K1213 WeakPolarHBondContact OE2-CE 3.26Å; E1211-K1213 IonicContact OE2-NZ 2.73Å; E1211-K1213 PolarHBondContact OE2-NZ 3.1Å; K1213-R1215 PolarHBondContact O-N 2.61Å; K1213-T1216 WeakPolarHBondContact O-CB 3.43Å; K1213-T1216 PolarHBondContact O-N 2.85Å; K1213-T1216 PolarHBondContact O-OG1 3.49Å; K1213-L1217 VanDerWaalsContact O-CG 3.29Å; K1213-L1217 WeakPolarHBondContact O-CG 3.47Å; K1213-L1217 PolarHBondContact O-N 2.7Å; K1213-L1217 VanDerWaalsContact O-N 3.12Å; K1213-P1297 PolarHBondContact NZ-O 2.98Å; K1213-Q1299 PolarHBondContact NZ-O 2.93Å; K1213-V1301 HydrophobicContact CB-CG2 4.08Å; K1213-V1301 HydrophobicContact CD-CG2 3.95Å; K1213-V1301 HydrophobicContact CG-CG2 3.81Å; K1213-M1304 HydrophobicContact CB-CE 4.46Å; K1213-M1304 HydrophobicContact CB-SD 4.43Å; K1213-M1304 HydrophobicContact CD-SD 4.02Å |
| 1214 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.6 | -36.5 | 173.8 | 172 | 62.4 | 0 | 0 | 0 | 111.6 | F1165 T1208 E1211 P1212 L1217 G1218 L1247 I1248 L1251 L1257 | F1165-L1214 HydrophobicContact CE1-CD1 4.37Å; F1165-L1214 HydrophobicContact CE1-CG 3.96Å; F1165-L1214 HydrophobicContact CZ-CD1 4.28Å; F1165-L1214 HydrophobicContact CZ-CD2 3.96Å; F1165-L1214 HydrophobicContact CZ-CG 3.78Å; T1208-L1214 HydrophobicContact CG2-CD2 4.33Å; T1208-L1214 HydrophobicContact CG2-CG 4.45Å; E1211-L1214 HydrophobicContact CG-CB 4.36Å; E1211-L1214 VanDerWaalsContact O-CB 3.25Å; E1211-L1214 WeakPolarHBondContact O-CB 3.44Å; E1211-L1214 PolarHBondContact O-N 2.82Å; P1212-L1214 PolarHBondContact O-N 3.11Å; P1212-L1214 VanDerWaalsContact O-N 3.07Å; L1214-L1217 PolarHBondContact O-N 3.08Å; L1214-G1218 PolarHBondContact O-N 2.9Å; L1214-L1247 HydrophobicContact CD1-CD2 3.73Å; L1214-L1247 HydrophobicContact CD1-CG 3.81Å; L1214-I1248 HydrophobicContact CD1-CG1 3.89Å; L1214-I1248 HydrophobicContact CD2-CD1 4.21Å; L1214-I1248 HydrophobicContact CD2-CG1 3.94Å; L1214-L1251 HydrophobicContact CB-CD1 4.26Å; L1214-L1251 HydrophobicContact CD1-CD1 3.88Å; L1214-L1257 HydrophobicContact CD2-CD2 4.06Å |
| 1215 | R | 93.4 | Very high | 93 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 13% | 0.128 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70 | -43.8 | -178.6 | -169.4 | -179.7 | 169.7 | -101.6 | 8.5 | 111.3 | E1123 E1127 G1164 T1208 P1212 K1213 L1217 G1218 I1219 | E1123-R1215 VanDerWaalsContact CG-NH1 3.3Å; E1123-R1215 VanDerWaalsContact OE1-CB 3.23Å; E1123-R1215 WeakPolarHBondContact OE1-CB 3.15Å; E1123-R1215 VanDerWaalsContact OE1-CD 3.27Å; E1123-R1215 WeakPolarHBondContact OE1-CD 3.32Å; E1123-R1215 WeakPolarHBondContact OE1-CG 3.14Å; E1123-R1215 IonicContact OE1-CZ 3.8Å; E1123-R1215 IonicContact OE1-NE 3.4Å; E1123-R1215 IonicContact OE1-NH1 3.69Å; E1123-R1215 PolarHBondContact OE1-NH1 2.99Å; E1127-R1215 VanDerWaalsContact CG-NH1 3.33Å; E1127-R1215 IonicContact OE1-CZ 2.69Å; E1127-R1215 IonicContact OE1-NH1 2.77Å; E1127-R1215 PolarHBondContact OE1-NH1 3.34Å; E1127-R1215 IonicContact OE1-NH2 3.26Å; G1164-R1215 WeakPolarHBondContact O-CD 3.19Å; G1164-R1215 PolarHBondContact O-NE 3.12Å; T1208-R1215 HydrophobicContact CG2-CB 4Å; T1208-R1215 HydrophobicContact CG2-CG 4.44Å; P1212-R1215 WeakPolarHBondContact O-CB 3.47Å; P1212-R1215 PolarHBondContact O-N 2.98Å; K1213-R1215 PolarHBondContact O-N 2.61Å; R1215-L1217 VanDerWaalsContact C-N 3.33Å; R1215-L1217 PolarHBondContact O-N 3.05Å; R1215-G1218 PolarHBondContact O-N 2.89Å; R1215-G1218 VanDerWaalsContact O-N 3.15Å; R1215-I1219 HydrophobicContact CG-CD1 4.12Å; R1215-I1219 WeakPolarHBondContact O-CG1 3.29Å; R1215-I1219 PolarHBondContact O-N 3.43Å |
| 1216 | T | 93.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -51.4 | -51.6 | 170.7 | -28.5 | 0 | 0 | 0 | 0 | 111.4 | L1119 E1123 K1213 G1218 I1219 A1220 V1301 | L1119-T1216 HydrophobicContact CB-CG2 3.94Å; L1119-T1216 WeakPolarHBondContact O-CG2 3.48Å; E1123-T1216 HydrophobicContact CB-CG2 4.06Å; E1123-T1216 PolarHBondContact OE1-N 2.76Å; E1123-T1216 VanDerWaalsContact OE2-CA 3.3Å; E1123-T1216 WeakPolarHBondContact OE2-CA 3.32Å; E1123-T1216 WeakPolarHBondContact OE2-CB 3.23Å; E1123-T1216 WeakPolarHBondContact OE2-CG2 3.21Å; E1123-T1216 PolarHBondContact OE2-N 3.32Å; E1123-T1216 PolarHBondContact OE2-OG1 3.43Å; K1213-T1216 WeakPolarHBondContact O-CB 3.43Å; K1213-T1216 PolarHBondContact O-N 2.85Å; K1213-T1216 PolarHBondContact O-OG1 3.49Å; T1216-G1218 PolarHBondContact O-N 3.48Å; T1216-I1219 PolarHBondContact O-N 2.83Å; T1216-A1220 PolarHBondContact O-N 3.06Å; T1216-V1301 HydrophobicContact CG2-CG1 3.95Å |
| 1217 | L | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -39.4 | 178.5 | -67.6 | 167.1 | 0 | 0 | 0 | 112.4 | K1213 L1214 R1215 A1220 L1221 L1247 L1251 V1301 M1304 W1305 | K1213-L1217 VanDerWaalsContact O-CG 3.29Å; K1213-L1217 WeakPolarHBondContact O-CG 3.47Å; K1213-L1217 PolarHBondContact O-N 2.7Å; K1213-L1217 VanDerWaalsContact O-N 3.12Å; L1214-L1217 PolarHBondContact O-N 3.08Å; R1215-L1217 VanDerWaalsContact C-N 3.33Å; R1215-L1217 PolarHBondContact O-N 3.05Å; L1217-A1220 PolarHBondContact O-N 3.01Å; L1217-L1221 WeakPolarHBondContact O-CB 3.38Å; L1217-L1221 PolarHBondContact O-N 3.18Å; L1217-L1247 HydrophobicContact CB-CD1 4.06Å; L1217-L1247 HydrophobicContact CB-CD2 3.71Å; L1217-L1247 HydrophobicContact CB-CG 4.44Å; L1217-L1247 HydrophobicContact CD1-CD1 4.38Å; L1217-L1251 HydrophobicContact CD1-CD1 4.18Å; L1217-L1251 HydrophobicContact CD1-CD2 4.35Å; L1217-V1301 HydrophobicContact CD2-CG1 3.77Å; L1217-V1301 HydrophobicContact CG-CG1 3.88Å; L1217-M1304 HydrophobicContact CD1-CB 3.87Å; L1217-M1304 HydrophobicContact CD1-CE 4.09Å; L1217-M1304 HydrophobicContact CD2-CB 4.3Å; L1217-W1305 HydrophobicContact CD2-CB 3.66Å; L1217-W1305 HydrophobicContact CD2-CE3 4.15Å |
| 1218 | G | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1214 R1215 T1216 K1222 | L1214-G1218 PolarHBondContact O-N 2.9Å; R1215-G1218 PolarHBondContact O-N 2.89Å; R1215-G1218 VanDerWaalsContact O-N 3.15Å; T1216-G1218 PolarHBondContact O-N 3.48Å; G1218-K1222 WeakPolarHBondContact O-CB 3.48Å; G1218-K1222 WeakPolarHBondContact O-CG 3.39Å; G1218-K1222 PolarHBondContact O-N 2.86Å |
| 1219 | I | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 173.1 | -71.4 | 169.6 | 0 | 0 | 0 | 110.5 | L1122 E1123 H1126 L1167 R1215 T1216 K1222 T1223 | L1122-I1219 HydrophobicContact CD2-CG2 4.12Å; L1122-I1219 HydrophobicContact CG-CG2 3.9Å; E1123-I1219 HydrophobicContact CB-CD1 4.19Å; E1123-I1219 HydrophobicContact CG-CD1 3.88Å; H1126-I1219 HydrophobicContact CB-CD1 4.38Å; H1126-I1219 HydrophobicContact CB-CG2 4.38Å; H1126-I1219 VanDerWaalsContact CD2-CG2 3.42Å; H1126-I1219 WeakPolarHBondContact CD2-CG2 3.24Å; L1167-I1219 HydrophobicContact CD2-CG2 4Å; R1215-I1219 HydrophobicContact CG-CD1 4.12Å; R1215-I1219 WeakPolarHBondContact O-CG1 3.29Å; R1215-I1219 PolarHBondContact O-N 3.43Å; T1216-I1219 PolarHBondContact O-N 2.83Å; I1219-K1222 PolarHBondContact O-N 3.38Å; I1219-T1223 WeakPolarHBondContact O-CB 3.31Å; I1219-T1223 PolarHBondContact O-N 2.84Å; I1219-T1223 PolarHBondContact O-OG1 3.3Å |
| 1220 | A | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1119 L1122 T1216 L1217 K1222 T1223 V1224 W1305 | L1119-A1220 HydrophobicContact CD2-CB 3.71Å; L1122-A1220 HydrophobicContact CD2-CB 4.15Å; T1216-A1220 PolarHBondContact O-N 3.06Å; L1217-A1220 PolarHBondContact O-N 3.01Å; A1220-K1222 PolarHBondContact O-N 2.92Å; A1220-T1223 WeakPolarHBondContact O-CB 3.34Å; A1220-T1223 PolarHBondContact O-N 2.86Å; A1220-T1223 VanDerWaalsContact O-N 3.1Å; A1220-V1224 PolarHBondContact O-N 3.17Å; A1220-W1305 HydrophobicContact CB-CE3 4.01Å; A1220-W1305 HydrophobicContact CB-CH2 4.18Å; A1220-W1305 HydrophobicContact CB-CZ3 3.82Å |
| 1221 | L | 94.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.6 | -172.6 | 52.9 | 0 | 0 | 0 | 112.2 | L1217 T1223 T1225 W1243 L1247 W1305 F1308 F1370 | L1217-L1221 WeakPolarHBondContact O-CB 3.38Å; L1217-L1221 PolarHBondContact O-N 3.18Å; L1221-T1223 VanDerWaalsContact C-N 3.29Å; L1221-T1223 PolarHBondContact O-N 3.22Å; L1221-T1225 HydrophobicContact CD1-CG2 3.94Å; L1221-T1225 HydrophobicContact CG-CG2 4.36Å; L1221-T1225 WeakPolarHBondContact O-CB 3.4Å; L1221-T1225 WeakPolarHBondContact O-CG2 3.46Å; L1221-T1225 PolarHBondContact O-N 3.07Å; L1221-T1225 PolarHBondContact O-OG1 3.44Å; L1221-W1243 HydrophobicContact CD1-CE3 4.4Å; L1221-W1243 HydrophobicContact CD2-CB 3.93Å; L1221-W1243 VanDerWaalsContact CD2-O 3.26Å; L1221-W1243 WeakPolarHBondContact CD2-O 2.89Å; L1221-W1243 HydrophobicContact CG-CB 4.21Å; L1221-L1247 HydrophobicContact CD2-CB 4.14Å; L1221-L1247 HydrophobicContact CD2-CD2 4.46Å; L1221-W1305 HydrophobicContact CB-CH2 4.37Å; L1221-W1305 HydrophobicContact CB-CZ3 3.97Å; L1221-W1305 HydrophobicContact CD1-CH2 4.34Å; L1221-W1305 HydrophobicContact CD1-CZ3 4.43Å; L1221-F1308 HydrophobicContact CD1-CE1 3.71Å; L1221-F1308 HydrophobicContact CD1-CZ 3.96Å; L1221-F1308 HydrophobicContact CD2-CE1 4.07Å; L1221-F1308 HydrophobicContact CD2-CE2 4.32Å; L1221-F1308 HydrophobicContact CD2-CZ 3.64Å; L1221-F1308 HydrophobicContact CG-CZ 4.47Å; L1221-F1370 HydrophobicContact CD1-CZ 4.32Å |
| 1222 | K | 91.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69 | -26.2 | 175.8 | -75.1 | -172.7 | 64.1 | 179.1 | 0 | 113.4 | S1160 F1165 L1167 S1170 G1218 I1219 A1220 T1225 K1226 | S1160-K1222 VanDerWaalsContact CB-NZ 3.31Å; F1165-K1222 HydrophobicContact CB-CD 4.2Å; F1165-K1222 VanDerWaalsContact O-CD 3.28Å; F1165-K1222 WeakPolarHBondContact O-CD 3.3Å; F1165-K1222 WeakPolarHBondContact O-CE 3.38Å; F1165-K1222 PolarHBondContact O-NZ 3.3Å; L1167-K1222 HydrophobicContact CD1-CB 3.99Å; L1167-K1222 HydrophobicContact CD2-CB 4.39Å; L1167-K1222 HydrophobicContact CG-CB 4.24Å; S1170-K1222 PolarHBondContact OG-NZ 3.15Å; G1218-K1222 WeakPolarHBondContact O-CB 3.48Å; G1218-K1222 WeakPolarHBondContact O-CG 3.39Å; G1218-K1222 PolarHBondContact O-N 2.86Å; I1219-K1222 PolarHBondContact O-N 3.38Å; A1220-K1222 PolarHBondContact O-N 2.92Å; K1222-T1225 WeakPolarHBondContact CA-OG1 3.4Å; K1222-T1225 PolarHBondContact O-OG1 3.38Å; K1222-K1226 WeakPolarHBondContact O-CB 3.43Å; K1222-K1226 PolarHBondContact O-N 3.23Å |
| 1223 | T | 88.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71 | -53.3 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | I1219 A1220 L1221 T1225 K1226 I1227 Y1391 F1395 | I1219-T1223 WeakPolarHBondContact O-CB 3.31Å; I1219-T1223 PolarHBondContact O-N 2.84Å; I1219-T1223 PolarHBondContact O-OG1 3.3Å; A1220-T1223 WeakPolarHBondContact O-CB 3.34Å; A1220-T1223 PolarHBondContact O-N 2.86Å; A1220-T1223 VanDerWaalsContact O-N 3.1Å; L1221-T1223 VanDerWaalsContact C-N 3.29Å; L1221-T1223 PolarHBondContact O-N 3.22Å; T1223-T1225 PolarHBondContact O-N 3.06Å; T1223-K1226 PolarHBondContact O-N 3.2Å; T1223-I1227 HydrophobicContact CG2-CD1 3.77Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.3Å; T1223-I1227 PolarHBondContact O-N 3.42Å; T1223-Y1391 HydrophobicContact CG2-CE2 4.2Å; T1223-F1395 HydrophobicContact CG2-CB 4.36Å; T1223-F1395 HydrophobicContact CG2-CD1 3.9Å; T1223-F1395 HydrophobicContact CG2-CD2 4.48Å; T1223-F1395 HydrophobicContact CG2-CE1 4.35Å; T1223-F1395 HydrophobicContact CG2-CG 3.98Å |
| 1224 | V | 89.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55 | -54.6 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | A1220 K1226 I1227 T1228 W1305 V1369 V1373 F1395 | A1220-V1224 PolarHBondContact O-N 3.17Å; V1224-K1226 PolarHBondContact O-N 3.44Å; V1224-K1226 VanDerWaalsContact O-N 3.17Å; V1224-I1227 PolarHBondContact O-N 3.25Å; V1224-I1227 VanDerWaalsContact O-N 3.11Å; V1224-T1228 PolarHBondContact O-N 3.3Å; V1224-T1228 PolarHBondContact O-OG1 3.15Å; V1224-W1305 HydrophobicContact CG2-CH2 4Å; V1224-W1305 HydrophobicContact CG2-CZ2 3.93Å; V1224-V1369 HydrophobicContact CG1-CG1 4.15Å; V1224-V1373 HydrophobicContact CG1-CG2 3.89Å; V1224-V1373 HydrophobicContact CG2-CG1 4.41Å; V1224-F1395 HydrophobicContact CG2-CD1 3.98Å; V1224-F1395 HydrophobicContact CG2-CE1 3.78Å |
| 1225 | T | 90 | Very high | 84.4 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -22.1 | -174.5 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | L1221 K1222 T1223 K1229 I1230 G1231 W1243 | L1221-T1225 HydrophobicContact CD1-CG2 3.94Å; L1221-T1225 HydrophobicContact CG-CG2 4.36Å; L1221-T1225 WeakPolarHBondContact O-CB 3.4Å; L1221-T1225 WeakPolarHBondContact O-CG2 3.46Å; L1221-T1225 PolarHBondContact O-N 3.07Å; L1221-T1225 PolarHBondContact O-OG1 3.44Å; K1222-T1225 WeakPolarHBondContact CA-OG1 3.4Å; K1222-T1225 PolarHBondContact O-OG1 3.38Å; T1223-T1225 PolarHBondContact O-N 3.06Å; T1225-K1229 CarbonylContact O-C 3.57Å; T1225-K1229 WeakPolarHBondContact O-CA 3.06Å; T1225-K1229 PolarHBondContact O-N 2.92Å; T1225-I1230 HydrophobicContact CG2-CD1 3.92Å; T1225-I1230 HydrophobicContact CG2-CG1 3.82Å; T1225-I1230 PolarHBondContact O-N 2.94Å; T1225-I1230 VanDerWaalsContact O-N 3.16Å; T1225-G1231 PolarHBondContact O-N 3.09Å; T1225-W1243 HydrophobicContact CG2-CD2 3.77Å; T1225-W1243 HydrophobicContact CG2-CE3 4.43Å; T1225-W1243 HydrophobicContact CG2-CG 3.97Å; T1225-W1243 HydrophobicContact CG2-CZ2 4.05Å |
| 1226 | K | 84 | Confident | 83.1 | Confident | 103 Ų | 103 | 26 Ų | 26 | 45% | 0.448 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -82.2 | -37.9 | 173.4 | -169.7 | 166.4 | -166.1 | 165.5 | 0 | 112.7 | L1167 T1169 K1222 T1223 V1224 K1229 | L1167-K1226 HydrophobicContact CD1-CD 4.17Å; T1169-K1226 PolarHBondContact O-NZ 2.89Å; T1169-K1226 PolarHBondContact OG1-NZ 3.42Å; K1222-K1226 WeakPolarHBondContact O-CB 3.43Å; K1222-K1226 PolarHBondContact O-N 3.23Å; T1223-K1226 PolarHBondContact O-N 3.2Å; V1224-K1226 PolarHBondContact O-N 3.44Å; V1224-K1226 VanDerWaalsContact O-N 3.17Å; K1226-K1229 PolarHBondContact O-N 2.87Å |
| 1227 | I | 82.1 | Confident | 82.2 | Confident | 22 Ų | 22 | 26.2 Ų | 26.2 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 178.6 | -69.8 | 168 | 0 | 0 | 0 | 111 | T1223 V1224 K1229 F1395 P1397 V1401 | T1223-I1227 HydrophobicContact CG2-CD1 3.77Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.3Å; T1223-I1227 PolarHBondContact O-N 3.42Å; V1224-I1227 PolarHBondContact O-N 3.25Å; V1224-I1227 VanDerWaalsContact O-N 3.11Å; I1227-K1229 VanDerWaalsContact C-N 3.3Å; I1227-K1229 PolarHBondContact O-N 3.47Å; I1227-F1395 HydrophobicContact CD1-CB 3.88Å; I1227-P1397 HydrophobicContact CG2-CB 4.4Å; I1227-P1397 HydrophobicContact CG2-CG 4.11Å; I1227-V1401 HydrophobicContact CG2-CG2 4.22Å |
| 1228 | T | 82.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -82.4 | -5.7 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 114 | V1224 I1230 V1369 I1400 V1401 | V1224-T1228 PolarHBondContact O-N 3.3Å; V1224-T1228 PolarHBondContact O-OG1 3.15Å; T1228-I1230 PolarHBondContact O-N 3.02Å; T1228-I1230 WeakPolarHBondContact OG1-CG1 2.85Å; T1228-V1369 HydrophobicContact CG2-CB 4.48Å; T1228-V1369 HydrophobicContact CG2-CG1 3.74Å; T1228-V1369 HydrophobicContact CG2-CG2 3.84Å; T1228-I1400 HydrophobicContact CG2-CG2 3.53Å; T1228-V1401 HydrophobicContact CG2-CG2 4.45Å |
| 1229 | K | 79.4 | Confident | 81.6 | Confident | 50 Ų | 50 | 27.6 Ų | 27.6 | 22% | 0.217 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 65.7 | 7.5 | -179.9 | -54.4 | -172.8 | 173.2 | -168.4 | 0 | 116.5 | T1225 K1226 I1227 G1231 | T1225-K1229 CarbonylContact O-C 3.57Å; T1225-K1229 WeakPolarHBondContact O-CA 3.06Å; T1225-K1229 PolarHBondContact O-N 2.92Å; K1226-K1229 PolarHBondContact O-N 2.87Å; I1227-K1229 VanDerWaalsContact C-N 3.3Å; I1227-K1229 PolarHBondContact O-N 3.47Å; K1229-G1231 PolarHBondContact O-N 3.39Å |
| 1230 | I | 85.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.7 | 175.6 | 65.5 | -176.8 | 0 | 0 | 0 | 113.8 | T1225 T1228 R1232 I1238 W1243 M1362 Y1365 I1366 V1369 F1370 | T1225-I1230 HydrophobicContact CG2-CD1 3.92Å; T1225-I1230 HydrophobicContact CG2-CG1 3.82Å; T1225-I1230 PolarHBondContact O-N 2.94Å; T1225-I1230 VanDerWaalsContact O-N 3.16Å; T1228-I1230 PolarHBondContact O-N 3.02Å; T1228-I1230 WeakPolarHBondContact OG1-CG1 2.85Å; I1230-R1232 VanDerWaalsContact C-N 3.3Å; I1230-R1232 PolarHBondContact O-N 2.9Å; I1230-I1238 PolarHBondContact O-N 2.9Å; I1230-W1243 HydrophobicContact CB-CZ2 4.2Å; I1230-W1243 HydrophobicContact CD1-CH2 3.98Å; I1230-W1243 HydrophobicContact CD1-CZ2 3.68Å; I1230-W1243 HydrophobicContact CG1-CZ2 3.75Å; I1230-M1362 HydrophobicContact CG2-SD 4.24Å; I1230-Y1365 HydrophobicContact CG2-CD1 3.66Å; I1230-Y1365 HydrophobicContact CG2-CE1 3.89Å; I1230-I1366 HydrophobicContact CB-CD1 4.4Å; I1230-I1366 HydrophobicContact CB-CG1 3.8Å; I1230-I1366 HydrophobicContact CD1-CG1 4.08Å; I1230-I1366 HydrophobicContact CG1-CG1 4.45Å; I1230-I1366 HydrophobicContact CG2-CG1 3.79Å; I1230-V1369 HydrophobicContact CD1-CB 4.49Å; I1230-V1369 HydrophobicContact CD1-CG1 3.95Å; I1230-F1370 HydrophobicContact CD1-CE1 4.4Å |
| 1231 | G | 80.4 | Confident | 81.4 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 21.8 | -177 | 0 | 0 | 0 | 0 | 0 | 117.2 | T1225 K1229 I1238 | T1225-G1231 PolarHBondContact O-N 3.09Å; K1229-G1231 PolarHBondContact O-N 3.39Å; G1231-I1238 CarbonylContact C-O 3.52Å; G1231-I1238 WeakPolarHBondContact CA-O 3.27Å |
| 1232 | R | 73.1 | Confident | 81.4 | Confident | 139 Ų | 139 | 32.2 Ų | 32.2 | 53% | 0.525 | 19% | 0.191 | S | C | . | . | trans | -126.6 | 111.3 | -174.8 | -62.2 | -172.9 | 105.2 | 156.1 | 7 | 111.6 | I1230 S1235 G1237 I1238 | I1230-R1232 VanDerWaalsContact C-N 3.3Å; I1230-R1232 PolarHBondContact O-N 2.9Å; R1232-S1235 WeakPolarHBondContact CB-OG 3.26Å; R1232-S1235 CarbonylContact O-C 3.55Å; R1232-S1235 WeakPolarHBondContact O-CA 3.28Å; R1232-S1235 VanDerWaalsContact O-CB 3.25Å; R1232-S1235 WeakPolarHBondContact O-CB 3.29Å; R1232-S1235 PolarHBondContact O-N 3.09Å; R1232-S1235 VanDerWaalsContact O-N 3.16Å; R1232-G1237 WeakPolarHBondContact O-CA 3.15Å; R1232-G1237 PolarHBondContact O-N 3.31Å; R1232-G1237 VanDerWaalsContact O-N 3.07Å; R1232-I1238 PolarHBondContact N-O 2.85Å | ||
| 1233 | A | 70 | Confident | 81.6 | Confident | 58 Ų | 58 | 31.6 Ų | 31.6 | 48% | 0.479 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -69.2 | -43.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1235 G1236 G1237 | A1233-S1235 PolarHBondContact O-N 2.9Å; A1233-G1236 PolarHBondContact O-N 3.34Å; A1233-G1237 WeakPolarHBondContact CA-O 3.43Å |
| 1234 | A | 59.8 | Low | 81.9 | Confident | 89 Ų | 89 | 31.4 Ų | 31.4 | 74% | 0.736 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -56.3 | -24.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1420 | A1234-G1420 WeakPolarHBondContact O-CA 3.21Š|
| 1235 | S | 59.9 | Low | 82.3 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -89.7 | 14.7 | 179.2 | -59.4 | 0 | 0 | 0 | 0 | 115 | R1232 A1233 G1237 T1419 G1420 | R1232-S1235 WeakPolarHBondContact CB-OG 3.26Å; R1232-S1235 CarbonylContact O-C 3.55Å; R1232-S1235 WeakPolarHBondContact O-CA 3.28Å; R1232-S1235 VanDerWaalsContact O-CB 3.25Å; R1232-S1235 WeakPolarHBondContact O-CB 3.29Å; R1232-S1235 PolarHBondContact O-N 3.09Å; R1232-S1235 VanDerWaalsContact O-N 3.16Å; A1233-S1235 PolarHBondContact O-N 2.9Å; S1235-G1237 PolarHBondContact O-N 3.07Å; S1235-G1237 VanDerWaalsContact O-N 3.14Å; S1235-T1419 WeakPolarHBondContact CB-O 3.3Å; S1235-T1419 VanDerWaalsContact CB-OG1 3.3Å; S1235-T1419 WeakPolarHBondContact CB-OG1 3.47Å; S1235-T1419 WeakPolarHBondContact O-CB 3.32Å; S1235-T1419 PolarHBondContact OG-O 3Å; S1235-G1420 VanDerWaalsContact CA-CA 3.49Å |
| 1236 | G | 66.6 | Low | 82.7 | Confident | 24 Ų | 24 | 31.4 Ų | 31.4 | 25% | 0.247 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -0.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1233 L1358 M1362 | A1233-G1236 PolarHBondContact O-N 3.34Å; G1236-L1358 WeakPolarHBondContact O-CD1 3.03Å; G1236-M1362 WeakPolarHBondContact O-CG 3.28Å |
| 1237 | G | 74.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 9% | 0.093 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -82.3 | -171.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1232 A1233 S1235 | R1232-G1237 WeakPolarHBondContact O-CA 3.15Å; R1232-G1237 PolarHBondContact O-N 3.31Å; R1232-G1237 VanDerWaalsContact O-N 3.07Å; A1233-G1237 WeakPolarHBondContact CA-O 3.43Å; S1235-G1237 PolarHBondContact O-N 3.07Å; S1235-G1237 VanDerWaalsContact O-N 3.14Å |
| 1238 | I | 88 | Confident | 84.1 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | -93.8 | 140.6 | -180 | -60.5 | -175 | 0 | 0 | 0 | 109.2 | I1230 G1231 R1232 A1242 W1243 M1246 I1344 T1355 L1358 I1366 | I1230-I1238 PolarHBondContact O-N 2.9Å; G1231-I1238 CarbonylContact C-O 3.52Å; G1231-I1238 WeakPolarHBondContact CA-O 3.27Å; R1232-I1238 PolarHBondContact N-O 2.85Å; I1238-A1242 HydrophobicContact CG2-CB 3.57Å; I1238-W1243 HydrophobicContact CB-CD2 4.24Å; I1238-W1243 HydrophobicContact CB-CH2 4.38Å; I1238-W1243 HydrophobicContact CB-CZ2 3.66Å; I1238-W1243 HydrophobicContact CD1-CH2 3.89Å; I1238-W1243 HydrophobicContact CD1-CZ2 4.02Å; I1238-W1243 HydrophobicContact CD1-CZ3 4.32Å; I1238-W1243 HydrophobicContact CG1-CH2 4.48Å; I1238-W1243 HydrophobicContact CG1-CZ2 4.11Å; I1238-W1243 HydrophobicContact CG2-CD2 3.96Å; I1238-W1243 HydrophobicContact CG2-CG 4.15Å; I1238-W1243 HydrophobicContact CG2-CZ2 4.26Å; I1238-W1243 PolarHBondContact O-NE1 3.12Å; I1238-W1243 VanDerWaalsContact O-NE1 3.1Å; I1238-M1246 HydrophobicContact CD1-SD 4.47Å; I1238-I1344 HydrophobicContact CG2-CD1 4.46Å; I1238-T1355 HydrophobicContact CD1-CG2 3.86Å; I1238-T1355 HydrophobicContact CG1-CG2 3.85Å; I1238-T1355 HydrophobicContact CG2-CG2 4.25Å; I1238-L1358 HydrophobicContact CD1-CD2 3.9Å; I1238-L1358 HydrophobicContact CG1-CD1 4.08Å; I1238-L1358 HydrophobicContact CG1-CD2 4.06Å; I1238-I1366 HydrophobicContact CD1-CD1 3.8Å; I1238-I1366 HydrophobicContact CG1-CD1 3.77Å | ||
| 1239 | S | 89.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 25.4 Ų | 25.4 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | trans | -66.2 | 148.2 | 179.8 | 74 | 0 | 0 | 0 | 0 | 111.9 | Y1241 A1242 W1243 | S1239-Y1241 PolarHBondContact O-N 3.05Å; S1239-Y1241 VanDerWaalsContact O-N 3.12Å; S1239-A1242 PolarHBondContact O-N 2.76Å; S1239-A1242 VanDerWaalsContact OG-CB 3.28Å; S1239-A1242 WeakPolarHBondContact OG-CB 3.2Å; S1239-A1242 PolarHBondContact OG-N 2.89Å; S1239-W1243 PolarHBondContact O-N 3.24Å | ||
| 1240 | S | 87.4 | Confident | 85.7 | Confident | 52 Ų | 52 | 23.5 Ų | 23.5 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.4 | -21.6 | 174.3 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | I1244 | S1240-I1244 WeakPolarHBondContact O-CG1 3.37Å |
| 1241 | Y | 92.1 | Very high | 86.3 | Confident | 47 Ų | 47 | 23.5 Ų | 23.5 | 18% | 0.184 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.8 | -52.3 | 170.5 | 171.9 | -114.2 | 0 | 0 | 0 | 110.9 | N1200 L1204 S1239 W1243 I1244 I1245 P1347 L1354 | N1200-Y1241 HydrophobicContact CB-CE2 4.26Å; N1200-Y1241 PolarHBondContact ND2-OH 2.71Å; N1200-Y1241 PolarHBondContact OD1-OH 2.98Å; L1204-Y1241 HydrophobicContact CD1-CD2 3.7Å; L1204-Y1241 HydrophobicContact CD1-CE2 3.65Å; L1204-Y1241 HydrophobicContact CG-CE2 4.46Å; S1239-Y1241 PolarHBondContact O-N 3.05Å; S1239-Y1241 VanDerWaalsContact O-N 3.12Å; Y1241-W1243 VanDerWaalsContact C-N 3.3Å; Y1241-W1243 PolarHBondContact O-N 2.74Å; Y1241-I1244 WeakPolarHBondContact O-CB 3.12Å; Y1241-I1244 PolarHBondContact O-N 3.26Å; Y1241-I1245 HydrophobicContact CD1-CG1 4.49Å; Y1241-I1245 HydrophobicContact CE1-CD1 4.45Å; Y1241-I1245 HydrophobicContact CE1-CG1 4.14Å; Y1241-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1241-I1245 HydrophobicContact CE2-CG1 4.19Å; Y1241-I1245 PolarHBondContact O-N 2.91Å; Y1241-P1347 WeakPolarHBondContact OH-CD 3.36Å; Y1241-L1354 HydrophobicContact CD1-CD1 3.75Å; Y1241-L1354 HydrophobicContact CD1-CD2 4.2Å; Y1241-L1354 HydrophobicContact CE1-CD1 3.59Å; Y1241-L1354 HydrophobicContact CE1-CD2 4.05Å; Y1241-L1354 HydrophobicContact CE1-CG 4.5Å |
| 1242 | A | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1238 S1239 I1244 I1245 M1246 I1344 L1354 | I1238-A1242 HydrophobicContact CG2-CB 3.57Å; S1239-A1242 PolarHBondContact O-N 2.76Å; S1239-A1242 VanDerWaalsContact OG-CB 3.28Å; S1239-A1242 WeakPolarHBondContact OG-CB 3.2Å; S1239-A1242 PolarHBondContact OG-N 2.89Å; A1242-I1244 VanDerWaalsContact C-N 3.31Å; A1242-I1244 PolarHBondContact O-N 3.2Å; A1242-I1245 WeakPolarHBondContact O-CB 3.23Å; A1242-I1245 PolarHBondContact O-N 2.8Å; A1242-M1246 WeakPolarHBondContact O-CG 3.35Å; A1242-M1246 PolarHBondContact O-N 3.13Å; A1242-I1344 HydrophobicContact CB-CD1 4Å; A1242-L1354 HydrophobicContact CB-CB 3.76Å; A1242-L1354 HydrophobicContact CB-CD1 3.79Å; A1242-L1354 HydrophobicContact CB-CG 4.42Å |
| 1243 | W | 95.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 170.9 | -73.7 | 119.8 | 0 | 0 | 0 | 112.9 | L1221 T1225 I1230 I1238 S1239 Y1241 M1246 L1247 I1366 F1370 | L1221-W1243 HydrophobicContact CD1-CE3 4.4Å; L1221-W1243 HydrophobicContact CD2-CB 3.93Å; L1221-W1243 VanDerWaalsContact CD2-O 3.26Å; L1221-W1243 WeakPolarHBondContact CD2-O 2.89Å; L1221-W1243 HydrophobicContact CG-CB 4.21Å; T1225-W1243 HydrophobicContact CG2-CD2 3.77Å; T1225-W1243 HydrophobicContact CG2-CE3 4.43Å; T1225-W1243 HydrophobicContact CG2-CG 3.97Å; T1225-W1243 HydrophobicContact CG2-CZ2 4.05Å; I1230-W1243 HydrophobicContact CB-CZ2 4.2Å; I1230-W1243 HydrophobicContact CD1-CH2 3.98Å; I1230-W1243 HydrophobicContact CD1-CZ2 3.68Å; I1230-W1243 HydrophobicContact CG1-CZ2 3.75Å; I1238-W1243 HydrophobicContact CB-CD2 4.24Å; I1238-W1243 HydrophobicContact CB-CH2 4.38Å; I1238-W1243 HydrophobicContact CB-CZ2 3.66Å; I1238-W1243 HydrophobicContact CD1-CH2 3.89Å; I1238-W1243 HydrophobicContact CD1-CZ2 4.02Å; I1238-W1243 HydrophobicContact CD1-CZ3 4.32Å; I1238-W1243 HydrophobicContact CG1-CH2 4.48Å; I1238-W1243 HydrophobicContact CG1-CZ2 4.11Å; I1238-W1243 HydrophobicContact CG2-CD2 3.96Å; I1238-W1243 HydrophobicContact CG2-CG 4.15Å; I1238-W1243 HydrophobicContact CG2-CZ2 4.26Å; I1238-W1243 PolarHBondContact O-NE1 3.12Å; I1238-W1243 VanDerWaalsContact O-NE1 3.1Å; S1239-W1243 PolarHBondContact O-N 3.24Å; Y1241-W1243 VanDerWaalsContact C-N 3.3Å; Y1241-W1243 PolarHBondContact O-N 2.74Å; W1243-M1246 HydrophobicContact CE3-CE 4.26Å; W1243-M1246 HydrophobicContact CE3-SD 3.66Å; W1243-M1246 HydrophobicContact CZ3-CE 3.89Å; W1243-M1246 HydrophobicContact CZ3-SD 3.72Å; W1243-M1246 PolarHBondContact O-N 2.92Å; W1243-L1247 PolarHBondContact O-N 3.48Å; W1243-L1247 VanDerWaalsContact O-N 3.15Å; W1243-I1366 HydrophobicContact CH2-CD1 4.09Å; W1243-I1366 HydrophobicContact CH2-CG1 4.08Å; W1243-I1366 HydrophobicContact CH2-CG2 3.73Å; W1243-I1366 HydrophobicContact CZ2-CD1 4.02Å; W1243-I1366 HydrophobicContact CZ2-CG1 4.16Å; W1243-F1370 HydrophobicContact CE3-CE1 4.44Å; W1243-F1370 HydrophobicContact CE3-CZ 4.08Å; W1243-F1370 AromaticContact CH2-CE1 3.73Å; W1243-F1370 HydrophobicContact CH2-CE1 3.73Å; W1243-F1370 HydrophobicContact CH2-CZ 4.04Å; W1243-F1370 AromaticContact CZ3-CE1 3.55Å; W1243-F1370 HydrophobicContact CZ3-CE1 3.55Å; W1243-F1370 HydrophobicContact CZ3-CE2 4.45Å; W1243-F1370 AromaticContact CZ3-CZ 3.36Å; W1243-F1370 HydrophobicContact CZ3-CZ 3.36Å |
| 1244 | I | 96 | Very high | 89.4 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 175.1 | -62.6 | -60.7 | 0 | 0 | 0 | 111.2 | F1165 L1204 S1240 Y1241 A1242 M1246 L1247 I1248 | F1165-I1244 HydrophobicContact CB-CD1 4.34Å; F1165-I1244 HydrophobicContact CD1-CD1 3.72Å; F1165-I1244 HydrophobicContact CD1-CG1 4.49Å; F1165-I1244 HydrophobicContact CD2-CD1 4.31Å; F1165-I1244 HydrophobicContact CD2-CG1 4.23Å; F1165-I1244 HydrophobicContact CD2-CG2 4.01Å; F1165-I1244 HydrophobicContact CE1-CD1 3.98Å; F1165-I1244 HydrophobicContact CE1-CG2 4.4Å; F1165-I1244 HydrophobicContact CE2-CG2 3.57Å; F1165-I1244 HydrophobicContact CG-CD1 3.88Å; F1165-I1244 HydrophobicContact CG-CG1 4.18Å; F1165-I1244 HydrophobicContact CZ-CD1 4.41Å; F1165-I1244 HydrophobicContact CZ-CG2 3.77Å; L1204-I1244 HydrophobicContact CD1-CG2 4.27Å; L1204-I1244 HydrophobicContact CD2-CG2 3.8Å; S1240-I1244 WeakPolarHBondContact O-CG1 3.37Å; Y1241-I1244 WeakPolarHBondContact O-CB 3.12Å; Y1241-I1244 PolarHBondContact O-N 3.26Å; A1242-I1244 VanDerWaalsContact C-N 3.31Å; A1242-I1244 PolarHBondContact O-N 3.2Å; I1244-M1246 VanDerWaalsContact C-N 3.33Å; I1244-M1246 PolarHBondContact O-N 2.81Å; I1244-L1247 HydrophobicContact CD1-CD2 4.46Å; I1244-L1247 PolarHBondContact O-N 2.8Å; I1244-I1248 HydrophobicContact CG2-CD1 3.84Å; I1244-I1248 HydrophobicContact CG2-CG1 4.34Å; I1244-I1248 WeakPolarHBondContact O-CG1 2.91Å; I1244-I1248 PolarHBondContact O-N 3.11Å |
| 1245 | I | 97.7 | Very high | 91 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 172.2 | -58.6 | -60.2 | 0 | 0 | 0 | 111.1 | L1204 Y1241 A1242 H1249 V1323 I1325 I1344 P1347 L1354 | L1204-I1245 HydrophobicContact CD2-CD1 4.45Å; Y1241-I1245 HydrophobicContact CD1-CG1 4.49Å; Y1241-I1245 HydrophobicContact CE1-CD1 4.45Å; Y1241-I1245 HydrophobicContact CE1-CG1 4.14Å; Y1241-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1241-I1245 HydrophobicContact CE2-CG1 4.19Å; Y1241-I1245 PolarHBondContact O-N 2.91Å; A1242-I1245 WeakPolarHBondContact O-CB 3.23Å; A1242-I1245 PolarHBondContact O-N 2.8Å; I1245-H1249 WeakPolarHBondContact O-CB 3.49Å; I1245-H1249 PolarHBondContact O-N 3.23Å; I1245-V1323 HydrophobicContact CG2-CG1 4.41Å; I1245-I1325 HydrophobicContact CD1-CD1 3.51Å; I1245-I1325 HydrophobicContact CD1-CG1 4.16Å; I1245-I1325 HydrophobicContact CG2-CG1 4.44Å; I1245-I1325 HydrophobicContact CG2-CG2 3.85Å; I1245-I1325 WeakPolarHBondContact O-CG2 3.42Å; I1245-I1344 HydrophobicContact CB-CG2 4.13Å; I1245-I1344 HydrophobicContact CG2-CG2 3.6Å; I1245-P1347 HydrophobicContact CD1-CG 4.42Å; I1245-L1354 HydrophobicContact CG1-CD1 4.08Å |
| 1246 | M | 97.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 173.6 | -71.5 | 174.3 | 66 | 0 | 0 | 112.6 | I1238 A1242 W1243 I1244 H1249 Y1250 F1308 Y1312 V1323 F1342 I1344 | I1238-M1246 HydrophobicContact CD1-SD 4.47Å; A1242-M1246 WeakPolarHBondContact O-CG 3.35Å; A1242-M1246 PolarHBondContact O-N 3.13Å; W1243-M1246 HydrophobicContact CE3-CE 4.26Å; W1243-M1246 HydrophobicContact CE3-SD 3.66Å; W1243-M1246 HydrophobicContact CZ3-CE 3.89Å; W1243-M1246 HydrophobicContact CZ3-SD 3.72Å; W1243-M1246 PolarHBondContact O-N 2.92Å; I1244-M1246 VanDerWaalsContact C-N 3.33Å; I1244-M1246 PolarHBondContact O-N 2.81Å; M1246-H1249 PolarHBondContact O-N 3.34Å; M1246-Y1250 PolarHBondContact O-N 3.1Å; M1246-F1308 HydrophobicContact CB-CE2 4.24Å; M1246-Y1312 WeakPolarHBondContact CA-OH 3.34Å; M1246-Y1312 HydrophobicContact CB-CE2 3.87Å; M1246-Y1312 HydrophobicContact CE-CD1 3.77Å; M1246-Y1312 HydrophobicContact CE-CD2 3.86Å; M1246-Y1312 HydrophobicContact CE-CE1 3.92Å; M1246-Y1312 HydrophobicContact CE-CE2 4Å; M1246-Y1312 HydrophobicContact CE-CG 3.74Å; M1246-Y1312 WeakPolarHBondContact O-CE2 3.34Å; M1246-Y1312 PolarHBondContact O-OH 3.03Å; M1246-V1323 HydrophobicContact CG-CG1 4.14Å; M1246-F1342 HydrophobicContact CE-CE1 3.87Å; M1246-F1342 HydrophobicContact CE-CZ 3.81Å; M1246-F1342 HydrophobicContact CG-CE1 4.25Å; M1246-F1342 HydrophobicContact SD-CE1 3.83Å; M1246-F1342 HydrophobicContact SD-CZ 4.38Å; M1246-I1344 HydrophobicContact CG-CD1 3.7Å; M1246-I1344 HydrophobicContact CG-CG1 4.46Å; M1246-I1344 HydrophobicContact SD-CD1 3.77Å |
| 1247 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 179.5 | 179 | 61.1 | 0 | 0 | 0 | 111.8 | L1214 L1217 L1221 W1243 I1244 Y1250 L1251 F1308 | L1214-L1247 HydrophobicContact CD1-CD2 3.73Å; L1214-L1247 HydrophobicContact CD1-CG 3.81Å; L1217-L1247 HydrophobicContact CB-CD1 4.06Å; L1217-L1247 HydrophobicContact CB-CD2 3.71Å; L1217-L1247 HydrophobicContact CB-CG 4.44Å; L1217-L1247 HydrophobicContact CD1-CD1 4.38Å; L1221-L1247 HydrophobicContact CD2-CB 4.14Å; L1221-L1247 HydrophobicContact CD2-CD2 4.46Å; W1243-L1247 PolarHBondContact O-N 3.48Å; W1243-L1247 VanDerWaalsContact O-N 3.15Å; I1244-L1247 HydrophobicContact CD1-CD2 4.46Å; I1244-L1247 PolarHBondContact O-N 2.8Å; L1247-Y1250 PolarHBondContact O-N 2.68Å; L1247-L1251 WeakPolarHBondContact O-CG 3.48Å; L1247-L1251 PolarHBondContact O-N 2.98Å; L1247-F1308 HydrophobicContact CB-CD2 4.35Å; L1247-F1308 HydrophobicContact CB-CE2 4.04Å; L1247-F1308 HydrophobicContact CD1-CB 4.35Å; L1247-F1308 HydrophobicContact CD1-CD2 3.68Å; L1247-F1308 HydrophobicContact CD1-CE2 4.17Å; L1247-F1308 HydrophobicContact CD1-CG 4Å |
| 1248 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 176 | -71 | 174 | 0 | 0 | 0 | 110.9 | L1204 Y1207 L1214 I1244 Y1250 L1251 Q1252 L1257 I1325 | L1204-I1248 HydrophobicContact CD2-CD1 3.26Å; Y1207-I1248 HydrophobicContact CD2-CD1 3.95Å; Y1207-I1248 HydrophobicContact CE1-CG2 4.21Å; Y1207-I1248 HydrophobicContact CE2-CD1 4.47Å; Y1207-I1248 HydrophobicContact CE2-CG2 4.35Å; Y1207-I1248 HydrophobicContact CG-CD1 4.13Å; L1214-I1248 HydrophobicContact CD1-CG1 3.89Å; L1214-I1248 HydrophobicContact CD2-CD1 4.21Å; L1214-I1248 HydrophobicContact CD2-CG1 3.94Å; I1244-I1248 HydrophobicContact CG2-CD1 3.84Å; I1244-I1248 HydrophobicContact CG2-CG1 4.34Å; I1244-I1248 WeakPolarHBondContact O-CG1 2.91Å; I1244-I1248 PolarHBondContact O-N 3.11Å; I1248-Y1250 VanDerWaalsContact C-N 3.35Å; I1248-Y1250 PolarHBondContact O-N 3.06Å; I1248-L1251 PolarHBondContact O-N 3.05Å; I1248-Q1252 HydrophobicContact CG2-CG 4.37Å; I1248-Q1252 WeakPolarHBondContact O-CB 3.45Å; I1248-Q1252 VanDerWaalsContact O-CG 3.27Å; I1248-Q1252 WeakPolarHBondContact O-CG 3.38Å; I1248-Q1252 PolarHBondContact O-N 2.81Å; I1248-L1257 HydrophobicContact CB-CD2 4.17Å; I1248-L1257 HydrophobicContact CG1-CD2 4.02Å; I1248-L1257 HydrophobicContact CG2-CD2 3.78Å; I1248-I1325 HydrophobicContact CB-CG2 3.92Å; I1248-I1325 HydrophobicContact CD1-CD1 4.45Å; I1248-I1325 HydrophobicContact CG2-CB 3.77Å; I1248-I1325 HydrophobicContact CG2-CD1 3.88Å; I1248-I1325 HydrophobicContact CG2-CG1 4.45Å; I1248-I1325 HydrophobicContact CG2-CG2 3.52Å |
| 1249 | H | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 175.7 | -180 | 72.1 | 0 | 0 | 0 | 111.5 | I1245 M1246 Q1252 Q1253 Y1312 F1316 V1323 T1324 I1325 | I1245-H1249 WeakPolarHBondContact O-CB 3.49Å; I1245-H1249 PolarHBondContact O-N 3.23Å; M1246-H1249 PolarHBondContact O-N 3.34Å; H1249-Q1252 PolarHBondContact O-N 2.73Å; H1249-Q1253 WeakPolarHBondContact O-CG 3.33Å; H1249-Q1253 PolarHBondContact O-N 2.97Å; H1249-Y1312 PolarHBondContact CD2-OH 3.34Å; H1249-F1316 AromaticContact NE2-CE2 3.62Å; H1249-V1323 HydrophobicContact CB-CG1 3.62Å; H1249-T1324 PolarHBondContact ND1-N 3.31Å; H1249-T1324 PolarHBondContact ND1-O 3.19Å; H1249-I1325 HydrophobicContact CB-CG2 3.89Å |
| 1250 | Y | 98 | Very high | 95.9 | Very high | 11 Ų | 11 | 13.8 Ų | 13.8 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.9 | -51.3 | 175.9 | 164.4 | -108.3 | 0 | 0 | 0 | 111.9 | M1246 L1247 I1248 Q1252 Q1253 I1254 M1304 G1307 F1308 Y1311 | M1246-Y1250 PolarHBondContact O-N 3.1Å; L1247-Y1250 PolarHBondContact O-N 2.68Å; I1248-Y1250 VanDerWaalsContact C-N 3.35Å; I1248-Y1250 PolarHBondContact O-N 3.06Å; Y1250-Q1252 VanDerWaalsContact C-N 3.26Å; Y1250-Q1252 PolarHBondContact O-N 3.27Å; Y1250-Q1253 PolarHBondContact O-N 2.87Å; Y1250-I1254 HydrophobicContact CD2-CG2 4.23Å; Y1250-I1254 HydrophobicContact CE1-CD1 4Å; Y1250-I1254 HydrophobicContact CE2-CD1 4.37Å; Y1250-I1254 HydrophobicContact CE2-CG1 4.44Å; Y1250-I1254 HydrophobicContact CE2-CG2 3.67Å; Y1250-I1254 WeakPolarHBondContact O-CG1 3.31Å; Y1250-I1254 PolarHBondContact O-N 3.4Å; Y1250-M1304 VanDerWaalsContact CE1-O 3.3Å; Y1250-M1304 WeakPolarHBondContact CE1-O 3.5Å; Y1250-G1307 VanDerWaalsContact CZ-C 3.42Å; Y1250-G1307 VanDerWaalsContact OH-C 3.32Å; Y1250-G1307 WeakPolarHBondContact OH-CA 3.47Å; Y1250-F1308 HydrophobicContact CD1-CB 3.62Å; Y1250-F1308 HydrophobicContact CD1-CD2 4.1Å; Y1250-F1308 HydrophobicContact CD1-CG 4.37Å; Y1250-F1308 HydrophobicContact CE1-CB 3.73Å; Y1250-F1308 HydrophobicContact CG-CB 4.23Å; Y1250-F1308 HydrophobicContact CG-CD2 4.22Å; Y1250-F1308 VanDerWaalsContact CZ-N 3.35Å; Y1250-Y1311 AromaticContact CD2-CD1 3.75Å; Y1250-Y1311 HydrophobicContact CD2-CD1 3.75Å; Y1250-Y1311 HydrophobicContact CD2-CD2 4.01Å; Y1250-Y1311 HydrophobicContact CD2-CE1 4.39Å; Y1250-Y1311 AromaticContact CD2-CG 3.53Å; Y1250-Y1311 HydrophobicContact CD2-CG 3.53Å; Y1250-Y1311 HydrophobicContact CE2-CD2 4.37Å; Y1250-Y1311 HydrophobicContact CE2-CG 4.08Å; Y1250-Y1311 HydrophobicContact CG-CD1 4.38Å |
| 1251 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.3 | -31.5 | 179.3 | -63.1 | -173 | 0 | 0 | 0 | 113 | L1214 L1217 L1247 I1248 I1254 D1255 Q1256 L1257 M1304 | L1214-L1251 HydrophobicContact CB-CD1 4.26Å; L1214-L1251 HydrophobicContact CD1-CD1 3.88Å; L1217-L1251 HydrophobicContact CD1-CD1 4.18Å; L1217-L1251 HydrophobicContact CD1-CD2 4.35Å; L1247-L1251 WeakPolarHBondContact O-CG 3.48Å; L1247-L1251 PolarHBondContact O-N 2.98Å; I1248-L1251 PolarHBondContact O-N 3.05Å; L1251-I1254 HydrophobicContact CD2-CD1 4.15Å; L1251-I1254 HydrophobicContact CD2-CG1 4.48Å; L1251-D1255 PolarHBondContact O-N 2.73Å; L1251-Q1256 HydrophobicContact CB-CB 4.4Å; L1251-Q1256 HydrophobicContact CD2-CB 4.33Å; L1251-Q1256 PolarHBondContact O-N 2.83Å; L1251-L1257 HydrophobicContact CB-CB 3.7Å; L1251-L1257 HydrophobicContact CB-CD2 4.16Å; L1251-L1257 HydrophobicContact CD1-CD2 4.48Å; L1251-L1257 PolarHBondContact O-N 3.41Å; L1251-L1257 VanDerWaalsContact O-N 3.16Å; L1251-M1304 HydrophobicContact CD1-CE 4.15Å; L1251-M1304 HydrophobicContact CD2-CE 3.55Å |
| 1252 | Q | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.7 | -38.1 | 171.5 | -74.1 | 172.4 | -26.7 | 0 | 0 | 112.7 | Y1207 I1248 H1249 Y1250 D1255 L1257 P1258 V1259 I1325 K1328 | Y1207-Q1252 PolarHBondContact OH-NE2 2.86Å; I1248-Q1252 HydrophobicContact CG2-CG 4.37Å; I1248-Q1252 WeakPolarHBondContact O-CB 3.45Å; I1248-Q1252 VanDerWaalsContact O-CG 3.27Å; I1248-Q1252 WeakPolarHBondContact O-CG 3.38Å; I1248-Q1252 PolarHBondContact O-N 2.81Å; H1249-Q1252 PolarHBondContact O-N 2.73Å; Y1250-Q1252 VanDerWaalsContact C-N 3.26Å; Y1250-Q1252 PolarHBondContact O-N 3.27Å; Q1252-D1255 PolarHBondContact O-N 3.25Å; Q1252-L1257 WeakPolarHBondContact CA-O 3.24Å; Q1252-L1257 HydrophobicContact CG-CB 4.2Å; Q1252-L1257 WeakPolarHBondContact CG-O 3.46Å; Q1252-P1258 PolarHBondContact NE2-O 3.31Å; Q1252-V1259 HydrophobicContact CG-CG2 4.23Å; Q1252-I1325 PolarHBondContact NE2-O 2.89Å; Q1252-I1325 VanDerWaalsContact NE2-O 3.08Å; Q1252-I1325 PolarHBondContact OE1-O 3.08Å; Q1252-K1328 WeakPolarHBondContact O-CD 3.46Å; Q1252-K1328 PolarHBondContact O-NZ 3.04Å |
| 1253 | Q | 96 | Very high | 96.2 | Very high | 41 Ų | 41 | 14.4 Ų | 14.4 | 19% | 0.192 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.1 | -35.2 | 177.7 | -67.2 | -57.7 | -59 | 0 | 0 | 111.9 | H1249 Y1250 D1255 K1328 | H1249-Q1253 WeakPolarHBondContact O-CG 3.33Å; H1249-Q1253 PolarHBondContact O-N 2.97Å; Y1250-Q1253 PolarHBondContact O-N 2.87Å; Q1253-D1255 VanDerWaalsContact C-N 3.34Å; Q1253-K1328 PolarHBondContact NE2-O 2.85Å; Q1253-K1328 PolarHBondContact O-NZ 3.41Å |
| 1254 | I | 94.5 | Very high | 96 | Very high | 51 Ų | 51 | 17.7 Ų | 17.7 | 26% | 0.262 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 11.8 | 175.1 | 67.9 | 155 | 0 | 0 | 0 | 115.2 | Y1250 L1251 Q1256 | Y1250-I1254 HydrophobicContact CD2-CG2 4.23Å; Y1250-I1254 HydrophobicContact CE1-CD1 4Å; Y1250-I1254 HydrophobicContact CE2-CD1 4.37Å; Y1250-I1254 HydrophobicContact CE2-CG1 4.44Å; Y1250-I1254 HydrophobicContact CE2-CG2 3.67Å; Y1250-I1254 WeakPolarHBondContact O-CG1 3.31Å; Y1250-I1254 PolarHBondContact O-N 3.4Å; L1251-I1254 HydrophobicContact CD2-CD1 4.15Å; L1251-I1254 HydrophobicContact CD2-CG1 4.48Å; I1254-Q1256 VanDerWaalsContact C-N 3.25Å; I1254-Q1256 HydrophobicContact CD1-CB 4.18Å; I1254-Q1256 HydrophobicContact CD1-CG 3.53Å; I1254-Q1256 HydrophobicContact CG1-CB 4.2Å; I1254-Q1256 HydrophobicContact CG1-CG 3.89Å; I1254-Q1256 PolarHBondContact O-N 3.08Å |
| 1255 | D | 94.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 22.5 Ų | 22.5 | 33% | 0.332 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.5 | 178.6 | -67.7 | -63.3 | 0 | 0 | 0 | 115 | L1251 Q1252 Q1253 P1294 A1295 K1328 | L1251-D1255 PolarHBondContact O-N 2.73Å; Q1252-D1255 PolarHBondContact O-N 3.25Å; Q1253-D1255 VanDerWaalsContact C-N 3.34Å; D1255-P1294 CarbonylContact O-C 3.53Å; D1255-P1294 WeakPolarHBondContact O-CA 3.42Å; D1255-A1295 HydrophobicContact CB-CB 3.74Å; D1255-A1295 PolarHBondContact O-N 2.85Å; D1255-K1328 IonicContact OD1-NZ 2.72Å; D1255-K1328 PolarHBondContact OD1-NZ 2.87Å; D1255-K1328 IonicContact OD2-NZ 3.6Å; D1255-K1328 PolarHBondContact OD2-NZ 3.27Å |
| 1256 | Q | 95.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -98.2 | -4.9 | 167.4 | -66.4 | -66.3 | 2 | 0 | 0 | 112.9 | L1251 I1254 N1296 M1304 | L1251-Q1256 HydrophobicContact CB-CB 4.4Å; L1251-Q1256 HydrophobicContact CD2-CB 4.33Å; L1251-Q1256 PolarHBondContact O-N 2.83Å; I1254-Q1256 VanDerWaalsContact C-N 3.25Å; I1254-Q1256 HydrophobicContact CD1-CB 4.18Å; I1254-Q1256 HydrophobicContact CD1-CG 3.53Å; I1254-Q1256 HydrophobicContact CG1-CB 4.2Å; I1254-Q1256 HydrophobicContact CG1-CG 3.89Å; I1254-Q1256 PolarHBondContact O-N 3.08Å; Q1256-N1296 PolarHBondContact NE2-O 3.12Å; Q1256-N1296 PolarHBondContact OE1-O 3.21Å; Q1256-M1304 HydrophobicContact CB-CE 4.07Å; Q1256-M1304 HydrophobicContact CG-CE 4.24Å |
| 1257 | L | 96 | Very high | 94 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -148.8 | 139.2 | 178.9 | -161.6 | 67.8 | 0 | 0 | 0 | 110.2 | Y1207 V1210 E1211 L1214 I1248 L1251 Q1252 | Y1207-L1257 HydrophobicContact CD1-CD1 3.97Å; Y1207-L1257 HydrophobicContact CD1-CD2 3.68Å; Y1207-L1257 HydrophobicContact CD1-CG 3.78Å; Y1207-L1257 HydrophobicContact CE1-CD2 4Å; Y1207-L1257 HydrophobicContact CE1-CG 4Å; Y1207-L1257 HydrophobicContact CG-CD2 4.49Å; V1210-L1257 HydrophobicContact CG1-CD1 4.38Å; E1211-L1257 HydrophobicContact CB-CD1 3.61Å; E1211-L1257 HydrophobicContact CG-CD1 4.49Å; L1214-L1257 HydrophobicContact CD2-CD2 4.06Å; I1248-L1257 HydrophobicContact CB-CD2 4.17Å; I1248-L1257 HydrophobicContact CG1-CD2 4.02Å; I1248-L1257 HydrophobicContact CG2-CD2 3.78Å; L1251-L1257 HydrophobicContact CB-CB 3.7Å; L1251-L1257 HydrophobicContact CB-CD2 4.16Å; L1251-L1257 HydrophobicContact CD1-CD2 4.48Å; L1251-L1257 PolarHBondContact O-N 3.41Å; L1251-L1257 VanDerWaalsContact O-N 3.16Å; Q1252-L1257 WeakPolarHBondContact CA-O 3.24Å; Q1252-L1257 HydrophobicContact CG-CB 4.2Å; Q1252-L1257 WeakPolarHBondContact CG-O 3.46Å |
| 1258 | P | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | trans | -79.1 | 168.5 | 179.7 | 30.3 | -32.6 | 0 | 0 | 0 | 112.5 | Y1207 V1210 Q1252 L1260 L1263 I1288 W1292 | Y1207-P1258 WeakPolarHBondContact CE1-O 3.48Å; V1210-P1258 HydrophobicContact CG1-CG 3.85Å; Q1252-P1258 PolarHBondContact NE2-O 3.31Å; P1258-L1260 HydrophobicContact CG-CD2 3.93Å; P1258-L1263 HydrophobicContact CB-CD1 3.46Å; P1258-L1263 VanDerWaalsContact CB-CD1 3.46Å; P1258-L1263 HydrophobicContact CB-CG 4.24Å; P1258-L1263 HydrophobicContact CG-CD1 4.12Å; P1258-I1288 HydrophobicContact CG-CG2 4.18Å; P1258-W1292 HydrophobicContact CB-CD2 3.73Å; P1258-W1292 HydrophobicContact CB-CE3 4.04Å; P1258-W1292 HydrophobicContact CB-CG 3.94Å; P1258-W1292 HydrophobicContact CG-CD2 4.23Å; P1258-W1292 HydrophobicContact CG-CE3 4.02Å; P1258-W1292 HydrophobicContact CG-CZ3 4.26Å | ||
| 1259 | V | 97.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | trans | -92.7 | 97.3 | 163.7 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | Q1252 Q1261 E1262 L1263 R1326 K1328 | Q1252-V1259 HydrophobicContact CG-CG2 4.23Å; V1259-Q1261 HydrophobicContact CG1-CB 4.45Å; V1259-Q1261 PolarHBondContact O-N 3Å; V1259-Q1261 VanDerWaalsContact O-N 3.13Å; V1259-E1262 HydrophobicContact CB-CB 4.11Å; V1259-E1262 HydrophobicContact CB-CG 4.34Å; V1259-E1262 HydrophobicContact CG1-CB 3.87Å; V1259-E1262 HydrophobicContact CG1-CG 3.67Å; V1259-E1262 WeakPolarHBondContact CG1-OE2 3.5Å; V1259-E1262 PolarHBondContact O-N 2.88Å; V1259-L1263 PolarHBondContact O-N 3.23Å; V1259-R1326 WeakPolarHBondContact CG1-O 3.42Å; V1259-K1328 HydrophobicContact CG2-CB 4.04Å | ||
| 1260 | L | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.3 | -177.4 | -62.4 | 179.4 | 0 | 0 | 0 | 112.7 | M1203 F1206 Y1207 V1210 P1258 E1262 Y1281 Q1282 I1288 | M1203-L1260 HydrophobicContact CG-CD1 4.48Å; F1206-L1260 HydrophobicContact CD1-CD1 3.89Å; Y1207-L1260 HydrophobicContact CD1-CD1 3.76Å; Y1207-L1260 HydrophobicContact CD1-CG 4.12Å; Y1207-L1260 HydrophobicContact CD2-CD1 3.96Å; Y1207-L1260 HydrophobicContact CE1-CB 4.47Å; Y1207-L1260 HydrophobicContact CE1-CD1 3.65Å; Y1207-L1260 HydrophobicContact CE1-CG 3.58Å; Y1207-L1260 HydrophobicContact CE2-CD1 3.82Å; Y1207-L1260 HydrophobicContact CE2-CG 4.31Å; Y1207-L1260 HydrophobicContact CG-CD1 3.93Å; Y1207-L1260 PolarHBondContact OH-N 3.04Å; V1210-L1260 HydrophobicContact CG2-CD2 4.39Å; P1258-L1260 HydrophobicContact CG-CD2 3.93Å; L1260-E1262 VanDerWaalsContact C-N 3.26Å; L1260-E1262 PolarHBondContact O-N 2.92Å; L1260-Y1281 HydrophobicContact CB-CD2 4.32Å; L1260-Y1281 HydrophobicContact CD1-CD2 4.15Å; L1260-Q1282 HydrophobicContact CB-CB 4.44Å; L1260-Q1282 HydrophobicContact CD2-CB 4.4Å; L1260-Q1282 WeakPolarHBondContact O-CB 3.47Å; L1260-Q1282 PolarHBondContact O-N 3.34Å; L1260-I1288 HydrophobicContact CD2-CD1 3.49Å; L1260-I1288 VanDerWaalsContact CD2-CD1 3.49Å; L1260-I1288 HydrophobicContact CD2-CG1 4.14Å |
| 1261 | Q | 95.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3.4 | 175.4 | -63.7 | 174.3 | -92.7 | 0 | 0 | 113.3 | M1203 V1259 K1269 R1326 P1347 F1348 | M1203-Q1261 HydrophobicContact SD-CG 4.16Å; V1259-Q1261 HydrophobicContact CG1-CB 4.45Å; V1259-Q1261 PolarHBondContact O-N 3Å; V1259-Q1261 VanDerWaalsContact O-N 3.13Å; Q1261-K1269 WeakPolarHBondContact O-CE 3.44Å; Q1261-K1269 PolarHBondContact O-NZ 2.92Å; Q1261-R1326 HydrophobicContact CB-CB 4.32Å; Q1261-R1326 VanDerWaalsContact CD-CB 3.47Å; Q1261-R1326 HydrophobicContact CG-CB 4.49Å; Q1261-R1326 VanDerWaalsContact OE1-CA 3.26Å; Q1261-P1347 PolarHBondContact NE2-O 3.36Å; Q1261-F1348 HydrophobicContact CG-CE1 4.41Å; Q1261-F1348 VanDerWaalsContact NE2-CE1 3.32Å |
| 1262 | E | 93.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 49 Ų | 49 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -10.8 | 175.3 | -68.7 | 179.2 | 145.9 | 0 | 0 | 113.1 | V1259 L1260 Y1264 Q1327 K1328 | V1259-E1262 HydrophobicContact CB-CB 4.11Å; V1259-E1262 HydrophobicContact CB-CG 4.34Å; V1259-E1262 HydrophobicContact CG1-CB 3.87Å; V1259-E1262 HydrophobicContact CG1-CG 3.67Å; V1259-E1262 WeakPolarHBondContact CG1-OE2 3.5Å; V1259-E1262 PolarHBondContact O-N 2.88Å; L1260-E1262 VanDerWaalsContact C-N 3.26Å; L1260-E1262 PolarHBondContact O-N 2.92Å; E1262-Y1264 WeakPolarHBondContact O-CD1 3.22Å; E1262-Y1264 PolarHBondContact O-N 3.38Å; E1262-Q1327 WeakPolarHBondContact OE1-CA 3.45Å; E1262-Q1327 WeakPolarHBondContact OE1-CB 3.34Å; E1262-Q1327 WeakPolarHBondContact OE2-CA 3.44Å; E1262-K1328 PolarHBondContact OE2-N 3.04Å |
| 1263 | L | 91.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | trans | -89.2 | 80.2 | 179.7 | -70.9 | -170.6 | 0 | 0 | 0 | 114 | P1258 V1259 Q1282 I1288 L1291 W1292 | P1258-L1263 HydrophobicContact CB-CD1 3.46Å; P1258-L1263 VanDerWaalsContact CB-CD1 3.46Å; P1258-L1263 HydrophobicContact CB-CG 4.24Å; P1258-L1263 HydrophobicContact CG-CD1 4.12Å; V1259-L1263 PolarHBondContact O-N 3.23Å; L1263-Q1282 HydrophobicContact CB-CB 4.15Å; L1263-Q1282 HydrophobicContact CB-CG 4.3Å; L1263-Q1282 VanDerWaalsContact O-CB 3.28Å; L1263-Q1282 WeakPolarHBondContact O-CB 3.18Å; L1263-Q1282 WeakPolarHBondContact O-CG 3.36Å; L1263-Q1282 PolarHBondContact O-NE2 3.18Å; L1263-I1288 HydrophobicContact CD1-CB 4.47Å; L1263-I1288 HydrophobicContact CD1-CG1 4.14Å; L1263-I1288 HydrophobicContact CD1-CG2 4.11Å; L1263-L1291 HydrophobicContact CB-CD1 4.44Å; L1263-L1291 HydrophobicContact CD2-CB 4.22Å; L1263-W1292 HydrophobicContact CD1-CB 3.83Å; L1263-W1292 HydrophobicContact CD1-CG 4.45Å; L1263-W1292 HydrophobicContact CD2-CB 4.14Å | ||
| 1264 | Y | 91.4 | Very high | 89.3 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 28% | 0.275 | 31% | 0.312 | S | S | . | . | trans | -116.4 | 161.1 | 170.9 | 52.4 | -88.5 | 0 | 0 | 0 | 112 | E1262 G1266 T1268 K1269 P1270 W1280 | E1262-Y1264 WeakPolarHBondContact O-CD1 3.22Å; E1262-Y1264 PolarHBondContact O-N 3.38Å; Y1264-G1266 WeakPolarHBondContact CD2-O 3.36Å; Y1264-G1266 WeakPolarHBondContact CE2-O 3.47Å; Y1264-T1268 WeakPolarHBondContact CD2-O 3.45Å; Y1264-T1268 VanDerWaalsContact CE2-C 3.48Å; Y1264-K1269 HydrophobicContact CD1-CB 4.07Å; Y1264-K1269 HydrophobicContact CD1-CG 4.05Å; Y1264-K1269 HydrophobicContact CE1-CB 3.52Å; Y1264-K1269 HydrophobicContact CE1-CD 4.11Å; Y1264-K1269 HydrophobicContact CE1-CG 3.79Å; Y1264-K1269 HydrophobicContact CE2-CB 4.38Å; Y1264-P1270 VanDerWaalsContact CB-CD 3.48Å; Y1264-W1280 HydrophobicContact CD1-CZ3 4.36Å | ||
| 1265 | E | 85.8 | Confident | 88.2 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -94.8 | 145.3 | 170.4 | -61.4 | -168.9 | 115.2 | 0 | 0 | 109.6 | V1287 R1290 L1291 | E1265-V1287 HydrophobicContact CG-CG1 3.86Å; E1265-R1290 IonicContact OE1-CZ 2.69Å; E1265-R1290 IonicContact OE1-NE 2.76Å; E1265-R1290 PolarHBondContact OE1-NE 2.59Å; E1265-R1290 IonicContact OE1-NH2 2.76Å; E1265-R1290 PolarHBondContact OE1-NH2 2.98Å; E1265-R1290 IonicContact OE2-CZ 3.74Å; E1265-R1290 IonicContact OE2-NH2 2.67Å; E1265-R1290 PolarHBondContact OE2-NH2 3.46Å; E1265-L1291 HydrophobicContact CG-CD1 3.94Å; E1265-L1291 HydrophobicContact CG-CD2 4.26Å; E1265-L1291 HydrophobicContact CG-CG 4.43Å |
| 1266 | G | 83.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 84.4 | -179 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1264 | Y1264-G1266 WeakPolarHBondContact CD2-O 3.36Å; Y1264-G1266 WeakPolarHBondContact CE2-O 3.47Å |
| 1267 | S | 79 | Confident | 86.7 | Confident | 115 Ų | 115 | 58 Ų | 58 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -90.2 | -15.5 | -172.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1268 | T | 81 | Confident | 86.4 | Confident | 90 Ų | 90 | 60 Ų | 60 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -111.5 | 129.8 | -175.2 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | Y1264 P1270 | Y1264-T1268 WeakPolarHBondContact CD2-O 3.45Å; Y1264-T1268 VanDerWaalsContact CE2-C 3.48Å; T1268-P1270 WeakPolarHBondContact O-CD 3.09Å |
| 1269 | K | 86 | Confident | 86.1 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | trans | -69.8 | 123.2 | 179.2 | 177.7 | 164.2 | 170.7 | 162.3 | 0 | 110.5 | Q1261 Y1264 | Q1261-K1269 WeakPolarHBondContact O-CE 3.44Å; Q1261-K1269 PolarHBondContact O-NZ 2.92Å; Y1264-K1269 HydrophobicContact CD1-CB 4.07Å; Y1264-K1269 HydrophobicContact CD1-CG 4.05Å; Y1264-K1269 HydrophobicContact CE1-CB 3.52Å; Y1264-K1269 HydrophobicContact CE1-CD 4.11Å; Y1264-K1269 HydrophobicContact CE1-CG 3.79Å; Y1264-K1269 HydrophobicContact CE2-CB 4.38Å | ||
| 1270 | P | 90 | Very high | 85.9 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | trans | -63.3 | 151 | 178.4 | -22.4 | 33.5 | 0 | 0 | 0 | 112.9 | Y1264 T1268 N1278 W1280 | Y1264-P1270 VanDerWaalsContact CB-CD 3.48Å; T1268-P1270 WeakPolarHBondContact O-CD 3.09Å; P1270-N1278 PolarHBondContact O-ND2 3.48Å; P1270-W1280 HydrophobicContact CB-CD2 3.8Å; P1270-W1280 HydrophobicContact CB-CE3 4.47Å; P1270-W1280 HydrophobicContact CB-CG 3.92Å; P1270-W1280 HydrophobicContact CB-CZ2 4.32Å; P1270-W1280 HydrophobicContact CG-CD2 4.21Å; P1270-W1280 HydrophobicContact CG-CH2 4.37Å; P1270-W1280 HydrophobicContact CG-CZ2 3.93Å | ||
| 1271 | T | 85.7 | Confident | 85.8 | Confident | 104 Ų | 104 | 63 Ų | 63 | 64% | 0.638 | 37% | 0.366 | S | S | * | . | trans | -120.7 | 140.7 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | N1278 | T1271-N1278 WeakPolarHBondContact CA-OD1 3.49Š| ||
| 1272 | T | 85.6 | Confident | 85.8 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | trans | -146.6 | 100.9 | 171.5 | -59.9 | 0 | 0 | 0 | 0 | 106.5 | N1278 V1279 | T1272-N1278 PolarHBondContact N-OD1 3.05Å; T1272-N1278 CarbonylContact O-C 3.13Å; T1272-N1278 WeakPolarHBondContact O-CA 3.48Å; T1272-N1278 PolarHBondContact O-OD1 2.86Å; T1272-V1279 HydrophobicContact CG2-CG2 4.02Å; T1272-V1279 WeakPolarHBondContact O-CG2 3.39Å; T1272-V1279 PolarHBondContact O-N 2.75Å | ||
| 1273 | L | 81.3 | Confident | 85.7 | Confident | 123 Ų | 123 | 64.3 Ų | 64.3 | 64% | 0.644 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.4 | -170 | -63.3 | 178.6 | 0 | 0 | 0 | 111.9 | W1277 N1278 | L1273-W1277 WeakPolarHBondContact CA-O 3.31Å; L1273-N1278 HydrophobicContact CD2-CB 4.24Å |
| 1274 | V | 75.1 | Confident | 85.7 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.3 | 169.2 | 171.6 | 0 | 0 | 0 | 0 | 107.8 | N1195 M1196 G1276 W1277 V1279 | N1195-V1274 HydrophobicContact CB-CG1 3.62Å; M1196-V1274 HydrophobicContact CG-CG1 3.92Å; V1274-G1276 PolarHBondContact O-N 2.53Å; V1274-W1277 PolarHBondContact N-O 3.47Å; V1274-W1277 PolarHBondContact O-N 2.78Å; V1274-V1279 HydrophobicContact CB-CG1 3.91Å; V1274-V1279 HydrophobicContact CB-CG2 4.02Å; V1274-V1279 HydrophobicContact CG2-CG1 4.38Å; V1274-V1279 HydrophobicContact CG2-CG2 3.58Å |
| 1275 | N | 70.7 | Confident | 85.7 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.6 | -176.3 | -57.7 | -23.5 | 0 | 0 | 0 | 114.1 | N1192 M1196 W1277 | N1192-N1275 PolarHBondContact O-ND2 3.49Å; N1192-N1275 PolarHBondContact O-OD1 2.9Å; M1196-N1275 HydrophobicContact SD-CB 4.01Å; N1275-W1277 VanDerWaalsContact C-N 3.27Å; N1275-W1277 PolarHBondContact O-N 3.29Å |
| 1276 | G | 74.5 | Confident | 86 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1274 | V1274-G1276 PolarHBondContact O-N 2.53Š|
| 1277 | W | 83.6 | Confident | 86.4 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 138 | 178.4 | -60.5 | 111.7 | 0 | 0 | 0 | 111.7 | L1273 V1274 N1275 V1279 F1348 N1349 L1350 N1351 | L1273-W1277 WeakPolarHBondContact CA-O 3.31Å; V1274-W1277 PolarHBondContact N-O 3.47Å; V1274-W1277 PolarHBondContact O-N 2.78Å; N1275-W1277 VanDerWaalsContact C-N 3.27Å; N1275-W1277 PolarHBondContact O-N 3.29Å; W1277-V1279 PolarHBondContact O-N 2.81Å; W1277-F1348 WeakPolarHBondContact CB-O 3.3Å; W1277-F1348 VanDerWaalsContact CE3-O 3.23Å; W1277-F1348 VanDerWaalsContact CG-O 3.24Å; W1277-N1349 WeakPolarHBondContact CZ2-OD1 3.19Å; W1277-N1349 PolarHBondContact NE1-OD1 3.1Å; W1277-L1350 HydrophobicContact CE3-CB 4.19Å; W1277-L1350 HydrophobicContact CE3-CD1 4.42Å; W1277-L1350 HydrophobicContact CE3-CG 3.79Å; W1277-L1350 HydrophobicContact CH2-CB 3.89Å; W1277-L1350 HydrophobicContact CH2-CG 4.41Å; W1277-L1350 HydrophobicContact CZ3-CB 3.52Å; W1277-L1350 HydrophobicContact CZ3-CD1 4.11Å; W1277-L1350 HydrophobicContact CZ3-CG 3.58Å; W1277-N1351 HydrophobicContact CH2-CB 4.3Å; W1277-N1351 HydrophobicContact CZ2-CB 4.2Å |
| 1278 | N | 89.3 | Confident | 87.1 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 105.6 | 172.4 | -173.6 | 8 | 0 | 0 | 0 | 110.2 | P1270 T1271 T1272 L1273 W1280 F1348 | P1270-N1278 PolarHBondContact O-ND2 3.48Å; T1271-N1278 WeakPolarHBondContact CA-OD1 3.49Å; T1272-N1278 PolarHBondContact N-OD1 3.05Å; T1272-N1278 CarbonylContact O-C 3.13Å; T1272-N1278 WeakPolarHBondContact O-CA 3.48Å; T1272-N1278 PolarHBondContact O-OD1 2.86Å; L1273-N1278 HydrophobicContact CD2-CB 4.24Å; N1278-W1280 WeakPolarHBondContact OD1-CB 3.5Å; N1278-W1280 PolarHBondContact OD1-N 3.19Å; N1278-F1348 WeakPolarHBondContact O-CD1 3.41Å |
| 1279 | V | 90.4 | Very high | 87.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | trans | -92.2 | 9.4 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | T1272 V1274 W1277 F1348 | T1272-V1279 HydrophobicContact CG2-CG2 4.02Å; T1272-V1279 WeakPolarHBondContact O-CG2 3.39Å; T1272-V1279 PolarHBondContact O-N 2.75Å; V1274-V1279 HydrophobicContact CB-CG1 3.91Å; V1274-V1279 HydrophobicContact CB-CG2 4.02Å; V1274-V1279 HydrophobicContact CG2-CG1 4.38Å; V1274-V1279 HydrophobicContact CG2-CG2 3.58Å; W1277-V1279 PolarHBondContact O-N 2.81Å; V1279-F1348 HydrophobicContact CB-CD1 4.15Å; V1279-F1348 HydrophobicContact CB-CD2 4.38Å; V1279-F1348 HydrophobicContact CB-CE1 4.19Å; V1279-F1348 HydrophobicContact CB-CE2 4.43Å; V1279-F1348 HydrophobicContact CB-CG 4.25Å; V1279-F1348 HydrophobicContact CB-CZ 4.33Å; V1279-F1348 HydrophobicContact CG1-CB 4.04Å; V1279-F1348 HydrophobicContact CG1-CD1 4.14Å; V1279-F1348 HydrophobicContact CG1-CD2 4.07Å; V1279-F1348 HydrophobicContact CG1-CG 3.83Å | ||
| 1280 | W | 93.3 | Very high | 87.8 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | trans | -67.5 | 136.7 | 175.4 | -174.8 | 89.2 | 0 | 0 | 0 | 111.6 | Y1264 P1270 N1278 Q1282 | Y1264-W1280 HydrophobicContact CD1-CZ3 4.36Å; P1270-W1280 HydrophobicContact CB-CD2 3.8Å; P1270-W1280 HydrophobicContact CB-CE3 4.47Å; P1270-W1280 HydrophobicContact CB-CG 3.92Å; P1270-W1280 HydrophobicContact CB-CZ2 4.32Å; P1270-W1280 HydrophobicContact CG-CD2 4.21Å; P1270-W1280 HydrophobicContact CG-CH2 4.37Å; P1270-W1280 HydrophobicContact CG-CZ2 3.93Å; N1278-W1280 WeakPolarHBondContact OD1-CB 3.5Å; N1278-W1280 PolarHBondContact OD1-N 3.19Å; W1280-Q1282 HydrophobicContact CH2-CB 4Å; W1280-Q1282 HydrophobicContact CZ2-CB 4.45Å | ||
| 1281 | Y | 93.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 61 Ų | 61 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | trans | -150.6 | 153.5 | 169.9 | 68.7 | -83.8 | 0 | 0 | 0 | 109.2 | R1202 M1203 F1206 L1260 N1283 F1348 | R1202-Y1281 VanDerWaalsContact C-OH 3.23Å; R1202-Y1281 PolarHBondContact O-OH 3.08Å; M1203-Y1281 HydrophobicContact CB-CD1 3.98Å; M1203-Y1281 HydrophobicContact CB-CD2 4.17Å; M1203-Y1281 HydrophobicContact CB-CE1 3.8Å; M1203-Y1281 HydrophobicContact CB-CE2 4Å; M1203-Y1281 HydrophobicContact CB-CG 4.17Å; M1203-Y1281 HydrophobicContact CG-CD1 4.06Å; M1203-Y1281 HydrophobicContact CG-CD2 3.72Å; M1203-Y1281 HydrophobicContact CG-CE1 4.32Å; M1203-Y1281 HydrophobicContact CG-CE2 3.99Å; M1203-Y1281 HydrophobicContact CG-CG 3.76Å; M1203-Y1281 PolarHBondContact N-OH 3.22Å; M1203-Y1281 HydrophobicContact SD-CD1 4.26Å; M1203-Y1281 HydrophobicContact SD-CD2 4.44Å; M1203-Y1281 HydrophobicContact SD-CG 3.96Å; F1206-Y1281 HydrophobicContact CB-CE2 4.03Å; F1206-Y1281 HydrophobicContact CG-CE2 4.31Å; L1260-Y1281 HydrophobicContact CB-CD2 4.32Å; L1260-Y1281 HydrophobicContact CD1-CD2 4.15Å; Y1281-N1283 HydrophobicContact CD2-CB 4.3Å; Y1281-N1283 HydrophobicContact CE2-CB 3.79Å; Y1281-N1283 PolarHBondContact O-N 3.2Å; Y1281-F1348 HydrophobicContact CD1-CZ 4.09Å | ||
| 1282 | Q | 95 | Very high | 88.3 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | trans | -65.6 | 124.1 | 176.6 | -173.1 | 52.6 | -97.9 | 0 | 0 | 111.4 | L1260 L1263 W1280 I1288 | L1260-Q1282 HydrophobicContact CB-CB 4.44Å; L1260-Q1282 HydrophobicContact CD2-CB 4.4Å; L1260-Q1282 WeakPolarHBondContact O-CB 3.47Å; L1260-Q1282 PolarHBondContact O-N 3.34Å; L1263-Q1282 HydrophobicContact CB-CB 4.15Å; L1263-Q1282 HydrophobicContact CB-CG 4.3Å; L1263-Q1282 VanDerWaalsContact O-CB 3.28Å; L1263-Q1282 WeakPolarHBondContact O-CB 3.18Å; L1263-Q1282 WeakPolarHBondContact O-CG 3.36Å; L1263-Q1282 PolarHBondContact O-NE2 3.18Å; W1280-Q1282 HydrophobicContact CH2-CB 4Å; W1280-Q1282 HydrophobicContact CZ2-CB 4.45Å; Q1282-I1288 HydrophobicContact CB-CG1 4.41Å; Q1282-I1288 HydrophobicContact CG-CD1 3.94Å; Q1282-I1288 HydrophobicContact CG-CG1 3.53Å | ||
| 1283 | N | 92.1 | Very high | 88.5 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | trans | -131.2 | 13.1 | -175.7 | 64.4 | 8 | 0 | 0 | 0 | 113.6 | F1206 Y1281 | F1206-N1283 HydrophobicContact CD2-CB 4.22Å; F1206-N1283 HydrophobicContact CE2-CB 4.22Å; F1206-N1283 WeakPolarHBondContact CE2-O 3.19Å; F1206-N1283 WeakPolarHBondContact CZ-O 3.14Å; Y1281-N1283 HydrophobicContact CD2-CB 4.3Å; Y1281-N1283 HydrophobicContact CE2-CB 3.79Å; Y1281-N1283 PolarHBondContact O-N 3.2Å | ||
| 1284 | D | 92.6 | Very high | 88.9 | Confident | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -103.1 | 119.5 | 166.4 | -169.7 | -34.7 | 0 | 0 | 0 | 110.7 | S1286 V1287 I1288 | D1284-S1286 VanDerWaalsContact C-N 3.31Å; D1284-S1286 PolarHBondContact O-N 3.41Å; D1284-S1286 WeakPolarHBondContact OD1-CA 3.35Å; D1284-S1286 VanDerWaalsContact OD1-CB 3.26Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.35Å; D1284-S1286 PolarHBondContact OD1-N 3.41Å; D1284-S1286 PolarHBondContact OD1-OG 3.41Å; D1284-S1286 PolarHBondContact OD2-OG 2.84Å; D1284-V1287 HydrophobicContact CB-CB 4.14Å; D1284-V1287 HydrophobicContact CB-CG2 3.73Å; D1284-V1287 PolarHBondContact O-N 3Å; D1284-V1287 PolarHBondContact OD1-N 2.96Å; D1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; D1284-I1288 WeakPolarHBondContact O-CG1 3.4Å; D1284-I1288 PolarHBondContact O-N 3.11Å; D1284-I1288 VanDerWaalsContact O-N 3.16Å | ||
| 1285 | L | 92.3 | Very high | 89.6 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.6 | -29 | -179.4 | -147 | 77.1 | 0 | 0 | 0 | 112.5 | F1206 V1210 N1289 | F1206-L1285 HydrophobicContact CE1-CD1 4.01Å; F1206-L1285 HydrophobicContact CZ-CB 4.45Å; F1206-L1285 HydrophobicContact CZ-CD1 3.88Å; V1210-L1285 HydrophobicContact CG2-CD1 3.82Å; L1285-N1289 WeakPolarHBondContact O-CB 3.23Å; L1285-N1289 PolarHBondContact O-N 2.9Å; L1285-N1289 PolarHBondContact O-ND2 3.3Å |
| 1286 | S | 91.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 46% | 0.462 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73 | -31.6 | 177.8 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | D1284 R1290 | D1284-S1286 VanDerWaalsContact C-N 3.31Å; D1284-S1286 PolarHBondContact O-N 3.41Å; D1284-S1286 WeakPolarHBondContact OD1-CA 3.35Å; D1284-S1286 VanDerWaalsContact OD1-CB 3.26Å; D1284-S1286 WeakPolarHBondContact OD1-CB 3.35Å; D1284-S1286 PolarHBondContact OD1-N 3.41Å; D1284-S1286 PolarHBondContact OD1-OG 3.41Å; D1284-S1286 PolarHBondContact OD2-OG 2.84Å; S1286-R1290 WeakPolarHBondContact O-CB 3.1Å; S1286-R1290 PolarHBondContact O-N 3.2Å; S1286-R1290 PolarHBondContact O-NH1 2.71Å; S1286-R1290 VanDerWaalsContact O-NH1 3.16Å |
| 1287 | V | 91.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.8 | -45.3 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | E1265 D1284 N1289 R1290 L1291 | E1265-V1287 HydrophobicContact CG-CG1 3.86Å; D1284-V1287 HydrophobicContact CB-CB 4.14Å; D1284-V1287 HydrophobicContact CB-CG2 3.73Å; D1284-V1287 PolarHBondContact O-N 3Å; D1284-V1287 PolarHBondContact OD1-N 2.96Å; V1287-N1289 PolarHBondContact O-N 2.88Å; V1287-R1290 WeakPolarHBondContact O-CB 3.37Å; V1287-R1290 PolarHBondContact O-N 3.47Å; V1287-R1290 VanDerWaalsContact O-N 3.1Å; V1287-L1291 HydrophobicContact CG1-CD1 3.67Å; V1287-L1291 HydrophobicContact CG1-CG 4.11Å; V1287-L1291 WeakPolarHBondContact O-CG 3.37Å; V1287-L1291 PolarHBondContact O-N 2.89Å |
| 1288 | I | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 178.5 | -65.9 | 160 | 0 | 0 | 0 | 111.1 | F1206 V1210 P1258 L1260 L1263 Q1282 D1284 R1290 L1291 W1292 | F1206-I1288 HydrophobicContact CD1-CD1 4.47Å; F1206-I1288 HydrophobicContact CE1-CD1 3.54Å; F1206-I1288 HydrophobicContact CZ-CD1 4.28Å; V1210-I1288 HydrophobicContact CG1-CG2 4.23Å; V1210-I1288 HydrophobicContact CG2-CD1 3.92Å; P1258-I1288 HydrophobicContact CG-CG2 4.18Å; L1260-I1288 HydrophobicContact CD2-CD1 3.49Å; L1260-I1288 VanDerWaalsContact CD2-CD1 3.49Å; L1260-I1288 HydrophobicContact CD2-CG1 4.14Å; L1263-I1288 HydrophobicContact CD1-CB 4.47Å; L1263-I1288 HydrophobicContact CD1-CG1 4.14Å; L1263-I1288 HydrophobicContact CD1-CG2 4.11Å; Q1282-I1288 HydrophobicContact CB-CG1 4.41Å; Q1282-I1288 HydrophobicContact CG-CD1 3.94Å; Q1282-I1288 HydrophobicContact CG-CG1 3.53Å; D1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; D1284-I1288 WeakPolarHBondContact O-CG1 3.4Å; D1284-I1288 PolarHBondContact O-N 3.11Å; D1284-I1288 VanDerWaalsContact O-N 3.16Å; I1288-R1290 PolarHBondContact O-N 3Å; I1288-R1290 VanDerWaalsContact O-N 3.12Å; I1288-L1291 PolarHBondContact O-N 1.95Å; I1288-W1292 HydrophobicContact CG2-CE3 4.5Å; I1288-W1292 PolarHBondContact O-N 3.28Å; I1288-W1292 VanDerWaalsContact O-O 3.05Å |
| 1289 | N | 91.2 | Very high | 91.6 | Very high | 102 Ų | 102 | 64.2 Ų | 64.2 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -15.4 | 178.7 | -69 | -16.3 | 0 | 0 | 0 | 113.9 | L1285 V1287 | L1285-N1289 WeakPolarHBondContact O-CB 3.23Å; L1285-N1289 PolarHBondContact O-N 2.9Å; L1285-N1289 PolarHBondContact O-ND2 3.3Å; V1287-N1289 PolarHBondContact O-N 2.88Å |
| 1290 | R | 92 | Very high | 91.8 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -88.8 | -43.7 | 172.9 | 172.1 | 167.4 | 65.3 | -105.8 | 18.2 | 112 | E1265 S1286 V1287 I1288 | E1265-R1290 IonicContact OE1-CZ 2.69Å; E1265-R1290 IonicContact OE1-NE 2.76Å; E1265-R1290 PolarHBondContact OE1-NE 2.59Å; E1265-R1290 IonicContact OE1-NH2 2.76Å; E1265-R1290 PolarHBondContact OE1-NH2 2.98Å; E1265-R1290 IonicContact OE2-CZ 3.74Å; E1265-R1290 IonicContact OE2-NH2 2.67Å; E1265-R1290 PolarHBondContact OE2-NH2 3.46Å; S1286-R1290 WeakPolarHBondContact O-CB 3.1Å; S1286-R1290 PolarHBondContact O-N 3.2Å; S1286-R1290 PolarHBondContact O-NH1 2.71Å; S1286-R1290 VanDerWaalsContact O-NH1 3.16Å; V1287-R1290 WeakPolarHBondContact O-CB 3.37Å; V1287-R1290 PolarHBondContact O-N 3.47Å; V1287-R1290 VanDerWaalsContact O-N 3.1Å; I1288-R1290 PolarHBondContact O-N 3Å; I1288-R1290 VanDerWaalsContact O-N 3.12Å |
| 1291 | L | 91.3 | Very high | 91.9 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -86.1 | -25.1 | -174.5 | -63.6 | -178 | 0 | 0 | 0 | 114.5 | L1263 E1265 V1287 I1288 | L1263-L1291 HydrophobicContact CB-CD1 4.44Å; L1263-L1291 HydrophobicContact CD2-CB 4.22Å; E1265-L1291 HydrophobicContact CG-CD1 3.94Å; E1265-L1291 HydrophobicContact CG-CD2 4.26Å; E1265-L1291 HydrophobicContact CG-CG 4.43Å; V1287-L1291 HydrophobicContact CG1-CD1 3.67Å; V1287-L1291 HydrophobicContact CG1-CG 4.11Å; V1287-L1291 WeakPolarHBondContact O-CG 3.37Å; V1287-L1291 PolarHBondContact O-N 2.89Å; I1288-L1291 PolarHBondContact O-N 1.95Å |
| 1292 | W | 94.2 | Very high | 91.8 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | trans | -145.1 | 150.1 | -172.7 | -179.4 | 88.6 | 0 | 0 | 0 | 112.1 | P1258 L1263 I1288 P1294 | P1258-W1292 HydrophobicContact CB-CD2 3.73Å; P1258-W1292 HydrophobicContact CB-CE3 4.04Å; P1258-W1292 HydrophobicContact CB-CG 3.94Å; P1258-W1292 HydrophobicContact CG-CD2 4.23Å; P1258-W1292 HydrophobicContact CG-CE3 4.02Å; P1258-W1292 HydrophobicContact CG-CZ3 4.26Å; L1263-W1292 HydrophobicContact CD1-CB 3.83Å; L1263-W1292 HydrophobicContact CD1-CG 4.45Å; L1263-W1292 HydrophobicContact CD2-CB 4.14Å; I1288-W1292 HydrophobicContact CG2-CE3 4.5Å; I1288-W1292 PolarHBondContact O-N 3.28Å; I1288-W1292 VanDerWaalsContact O-O 3.05Å; W1292-P1294 VanDerWaalsContact CH2-CA 3.46Å; W1292-P1294 HydrophobicContact CH2-CB 3.68Å; W1292-P1294 HydrophobicContact CH2-CG 4.39Å; W1292-P1294 HydrophobicContact CZ2-CB 4.32Å; W1292-P1294 HydrophobicContact CZ3-CB 4.19Å; W1292-P1294 HydrophobicContact CZ3-CG 4.42Å | ||
| 1293 | K | 89.4 | Confident | 91.8 | Very high | 163 Ų | 163 | 65.2 Ų | 65.2 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | trans | -139.6 | 144.6 | 172.9 | -64.2 | -177.7 | -177.9 | 176.4 | 0 | 109.2 | ||||
| 1294 | P | 90.8 | Very high | 92 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -64.1 | 144.5 | 174.9 | 27 | -34.5 | 0 | 0 | 0 | 110.9 | D1255 W1292 N1296 P1297 | D1255-P1294 CarbonylContact O-C 3.53Å; D1255-P1294 WeakPolarHBondContact O-CA 3.42Å; W1292-P1294 VanDerWaalsContact CH2-CA 3.46Å; W1292-P1294 HydrophobicContact CH2-CB 3.68Å; W1292-P1294 HydrophobicContact CH2-CG 4.39Å; W1292-P1294 HydrophobicContact CZ2-CB 4.32Å; W1292-P1294 HydrophobicContact CZ3-CB 4.19Å; W1292-P1294 HydrophobicContact CZ3-CG 4.42Å; P1294-N1296 VanDerWaalsContact C-N 3.32Å; P1294-N1296 PolarHBondContact O-N 2.5Å; P1294-P1297 HydrophobicContact CB-CB 4.49Å; P1294-P1297 HydrophobicContact CG-CB 3.74Å; P1294-P1297 HydrophobicContact CG-CG 4.17Å | ||
| 1295 | A | 89.2 | Confident | 92.1 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 63% | 0.628 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -67.5 | -31.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | D1255 | D1255-A1295 HydrophobicContact CB-CB 3.74Å; D1255-A1295 PolarHBondContact O-N 2.85Å |
| 1296 | N | 90.3 | Very high | 92.3 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | trans | -147 | 72.5 | 179.5 | -166.6 | 0.9 | 0 | 0 | 0 | 111.5 | Q1256 P1294 S1298 Q1299 | Q1256-N1296 PolarHBondContact NE2-O 3.12Å; Q1256-N1296 PolarHBondContact OE1-O 3.21Å; P1294-N1296 VanDerWaalsContact C-N 3.32Å; P1294-N1296 PolarHBondContact O-N 2.5Å; N1296-S1298 PolarHBondContact O-N 2.94Å; N1296-Q1299 WeakPolarHBondContact O-CB 3.25Å; N1296-Q1299 PolarHBondContact O-N 2.63Å | ||
| 1297 | P | 88.2 | Confident | 92.4 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33 | -169.1 | 12.8 | -25.5 | 0 | 0 | 0 | 114.4 | K1213 P1294 Q1299 | K1213-P1297 PolarHBondContact NZ-O 2.98Å; P1294-P1297 HydrophobicContact CB-CB 4.49Å; P1294-P1297 HydrophobicContact CG-CB 3.74Å; P1294-P1297 HydrophobicContact CG-CG 4.17Å; P1297-Q1299 PolarHBondContact O-N 3.32Å |
| 1298 | S | 89.5 | Confident | 92.7 | Very high | 108 Ų | 108 | 50.7 Ų | 50.7 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.3 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 114.6 | N1296 P1300 | N1296-S1298 PolarHBondContact O-N 2.94Å; S1298-P1300 WeakPolarHBondContact O-CD 3.38Å |
| 1299 | Q | 92.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 50.8 Ų | 50.8 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | trans | -59.6 | 125.2 | -178.2 | -165.8 | 176.9 | 27.6 | 0 | 0 | 111.1 | K1213 N1296 P1297 E1303 M1304 | K1213-Q1299 PolarHBondContact NZ-O 2.93Å; N1296-Q1299 WeakPolarHBondContact O-CB 3.25Å; N1296-Q1299 PolarHBondContact O-N 2.63Å; P1297-Q1299 PolarHBondContact O-N 3.32Å; Q1299-E1303 HydrophobicContact CG-CB 4.3Å; Q1299-E1303 HydrophobicContact CG-CG 4.46Å; Q1299-E1303 PolarHBondContact NE2-OE1 2.96Å; Q1299-M1304 HydrophobicContact CG-CG 4.07Å | ||
| 1300 | P | 94.5 | Very high | 92.9 | Very high | 44 Ų | 44 | 48 Ų | 48 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | trans | -68 | 148.6 | -175.6 | -21.3 | 33.3 | 0 | 0 | 0 | 113.8 | I1112 T1116 S1298 G1302 E1303 M1304 | I1112-P1300 HydrophobicContact CG2-CB 3.82Å; I1112-P1300 HydrophobicContact CG2-CG 3.97Å; T1116-P1300 HydrophobicContact CG2-CB 4.23Å; T1116-P1300 VanDerWaalsContact OG1-CB 3.28Å; T1116-P1300 WeakPolarHBondContact OG1-CB 3.45Å; S1298-P1300 WeakPolarHBondContact O-CD 3.38Å; P1300-G1302 VanDerWaalsContact C-N 3.26Å; P1300-G1302 PolarHBondContact O-N 3.09Å; P1300-E1303 HydrophobicContact CB-CB 4.5Å; P1300-E1303 WeakPolarHBondContact CD-OE2 3.43Å; P1300-E1303 WeakPolarHBondContact O-CB 3.4Å; P1300-E1303 PolarHBondContact O-N 2.88Å; P1300-M1304 WeakPolarHBondContact O-CG 3.47Å; P1300-M1304 PolarHBondContact O-N 3.44Å; P1300-M1304 VanDerWaalsContact O-N 3.09Å | ||
| 1301 | V | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -38 | 179.6 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | T1116 L1119 K1213 T1216 L1217 E1303 M1304 W1305 | T1116-V1301 HydrophobicContact CG2-CB 4.05Å; T1116-V1301 HydrophobicContact CG2-CG2 4.14Å; L1119-V1301 HydrophobicContact CB-CG1 4.13Å; L1119-V1301 HydrophobicContact CD1-CG1 3.98Å; K1213-V1301 HydrophobicContact CB-CG2 4.08Å; K1213-V1301 HydrophobicContact CD-CG2 3.95Å; K1213-V1301 HydrophobicContact CG-CG2 3.81Å; T1216-V1301 HydrophobicContact CG2-CG1 3.95Å; L1217-V1301 HydrophobicContact CD2-CG1 3.77Å; L1217-V1301 HydrophobicContact CG-CG1 3.88Å; V1301-E1303 VanDerWaalsContact C-N 3.32Å; V1301-E1303 PolarHBondContact O-N 2.96Å; V1301-M1304 PolarHBondContact O-N 3.42Å; V1301-W1305 WeakPolarHBondContact O-CB 3.31Å; V1301-W1305 PolarHBondContact O-N 3.37Å |
| 1302 | G | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1116 P1300 W1305 L1306 | T1116-G1302 WeakPolarHBondContact OG1-CA 3.3Å; T1116-G1302 PolarHBondContact OG1-N 2.91Å; P1300-G1302 VanDerWaalsContact C-N 3.26Å; P1300-G1302 PolarHBondContact O-N 3.09Å; G1302-W1305 PolarHBondContact O-N 3.43Å; G1302-L1306 VanDerWaalsContact O-CG 3.23Å; G1302-L1306 WeakPolarHBondContact O-CG 3.34Å; G1302-L1306 PolarHBondContact O-N 3.44Å; G1302-L1306 VanDerWaalsContact O-N 3.1Å |
| 1303 | E | 94.2 | Very high | 93 | Very high | 66 Ų | 66 | 37 Ų | 37 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.9 | -45.6 | 176.4 | -161.4 | -171.9 | 130.8 | 0 | 0 | 110.8 | I1112 Q1299 P1300 V1301 W1305 L1306 G1307 | I1112-E1303 HydrophobicContact CD1-CG 4.48Å; I1112-E1303 HydrophobicContact CG2-CB 3.94Å; Q1299-E1303 HydrophobicContact CG-CB 4.3Å; Q1299-E1303 HydrophobicContact CG-CG 4.46Å; Q1299-E1303 PolarHBondContact NE2-OE1 2.96Å; P1300-E1303 HydrophobicContact CB-CB 4.5Å; P1300-E1303 WeakPolarHBondContact CD-OE2 3.43Å; P1300-E1303 WeakPolarHBondContact O-CB 3.4Å; P1300-E1303 PolarHBondContact O-N 2.88Å; V1301-E1303 VanDerWaalsContact C-N 3.32Å; V1301-E1303 PolarHBondContact O-N 2.96Å; E1303-W1305 VanDerWaalsContact C-N 3.28Å; E1303-W1305 PolarHBondContact O-N 3.09Å; E1303-L1306 PolarHBondContact O-N 2.98Å; E1303-G1307 PolarHBondContact O-N 3.3Å |
| 1304 | M | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -35.7 | 175.6 | -61.2 | 166.5 | 77.8 | 0 | 0 | 111.9 | K1213 L1217 Y1250 L1251 Q1256 Q1299 P1300 V1301 F1308 | K1213-M1304 HydrophobicContact CB-CE 4.46Å; K1213-M1304 HydrophobicContact CB-SD 4.43Å; K1213-M1304 HydrophobicContact CD-SD 4.02Å; L1217-M1304 HydrophobicContact CD1-CB 3.87Å; L1217-M1304 HydrophobicContact CD1-CE 4.09Å; L1217-M1304 HydrophobicContact CD2-CB 4.3Å; Y1250-M1304 VanDerWaalsContact CE1-O 3.3Å; Y1250-M1304 WeakPolarHBondContact CE1-O 3.5Å; L1251-M1304 HydrophobicContact CD1-CE 4.15Å; L1251-M1304 HydrophobicContact CD2-CE 3.55Å; Q1256-M1304 HydrophobicContact CB-CE 4.07Å; Q1256-M1304 HydrophobicContact CG-CE 4.24Å; Q1299-M1304 HydrophobicContact CG-CG 4.07Å; P1300-M1304 WeakPolarHBondContact O-CG 3.47Å; P1300-M1304 PolarHBondContact O-N 3.44Å; P1300-M1304 VanDerWaalsContact O-N 3.09Å; V1301-M1304 PolarHBondContact O-N 3.42Å; M1304-F1308 WeakPolarHBondContact O-CB 3.48Å; M1304-F1308 PolarHBondContact O-N 2.87Å |
| 1305 | W | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -50.2 | 175.5 | 174 | -103.5 | 0 | 0 | 0 | 112.7 | L1119 L1217 A1220 L1221 V1224 V1301 G1302 E1303 G1307 F1308 L1309 V1373 H1377 | L1119-W1305 HydrophobicContact CD1-CB 3.69Å; L1119-W1305 HydrophobicContact CD1-CG 3.97Å; L1217-W1305 HydrophobicContact CD2-CB 3.66Å; L1217-W1305 HydrophobicContact CD2-CE3 4.15Å; A1220-W1305 HydrophobicContact CB-CE3 4.01Å; A1220-W1305 HydrophobicContact CB-CH2 4.18Å; A1220-W1305 HydrophobicContact CB-CZ3 3.82Å; L1221-W1305 HydrophobicContact CB-CH2 4.37Å; L1221-W1305 HydrophobicContact CB-CZ3 3.97Å; L1221-W1305 HydrophobicContact CD1-CH2 4.34Å; L1221-W1305 HydrophobicContact CD1-CZ3 4.43Å; V1224-W1305 HydrophobicContact CG2-CH2 4Å; V1224-W1305 HydrophobicContact CG2-CZ2 3.93Å; V1301-W1305 WeakPolarHBondContact O-CB 3.31Å; V1301-W1305 PolarHBondContact O-N 3.37Å; G1302-W1305 PolarHBondContact O-N 3.43Å; E1303-W1305 VanDerWaalsContact C-N 3.28Å; E1303-W1305 PolarHBondContact O-N 3.09Å; W1305-G1307 VanDerWaalsContact C-N 3.32Å; W1305-F1308 HydrophobicContact CZ3-CD1 4.46Å; W1305-F1308 PolarHBondContact O-N 3.46Å; W1305-L1309 HydrophobicContact CZ2-CD1 4.08Å; W1305-L1309 HydrophobicContact CZ2-CD2 4.41Å; W1305-L1309 HydrophobicContact CZ2-CG 4.49Å; W1305-L1309 PolarHBondContact O-N 2.91Å; W1305-V1373 HydrophobicContact CZ2-CG1 3.9Å; W1305-H1377 AromaticContact CD1-ND1 3.75Å; W1305-H1377 AromaticContact NE1-CE1 3.6Å; W1305-H1377 AromaticContact NE1-CG 3.9Å; W1305-H1377 AromaticContact NE1-ND1 3.16Å; W1305-H1377 PolarHBondContact NE1-ND1 3.4Å; W1305-H1377 VanDerWaalsContact NE1-ND1 3.16Å |
| 1306 | L | 95 | Very high | 93 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 180 | -65 | 172.3 | 0 | 0 | 0 | 111 | W1105 P1107 L1115 G1302 E1303 L1309 R1310 L1374 H1377 T1378 | W1105-L1306 HydrophobicContact CH2-CB 4.41Å; W1105-L1306 HydrophobicContact CZ3-CB 4.07Å; P1107-L1306 HydrophobicContact CB-CD1 4.1Å; P1107-L1306 HydrophobicContact CG-CD1 3.9Å; L1115-L1306 HydrophobicContact CD2-CD1 3.66Å; L1115-L1306 HydrophobicContact CD2-CD2 3.86Å; L1115-L1306 HydrophobicContact CD2-CG 3.61Å; G1302-L1306 VanDerWaalsContact O-CG 3.23Å; G1302-L1306 WeakPolarHBondContact O-CG 3.34Å; G1302-L1306 PolarHBondContact O-N 3.44Å; G1302-L1306 VanDerWaalsContact O-N 3.1Å; E1303-L1306 PolarHBondContact O-N 2.98Å; L1306-L1309 PolarHBondContact O-N 3.21Å; L1306-R1310 VanDerWaalsContact O-CB 3.28Å; L1306-R1310 WeakPolarHBondContact O-CB 3.25Å; L1306-R1310 PolarHBondContact O-N 3.21Å; L1306-L1374 HydrophobicContact CB-CD1 4.27Å; L1306-L1374 HydrophobicContact CD2-CD1 3.91Å; L1306-H1377 HydrophobicContact CD2-CB 3.64Å; L1306-T1378 HydrophobicContact CD1-CG2 4.06Å; L1306-T1378 HydrophobicContact CD2-CG2 3.81Å; L1306-T1378 HydrophobicContact CG-CG2 4.47Å |
| 1307 | G | 94.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1250 E1303 W1305 L1309 R1310 Y1311 | Y1250-G1307 VanDerWaalsContact CZ-C 3.42Å; Y1250-G1307 VanDerWaalsContact OH-C 3.32Å; Y1250-G1307 WeakPolarHBondContact OH-CA 3.47Å; E1303-G1307 PolarHBondContact O-N 3.3Å; W1305-G1307 VanDerWaalsContact C-N 3.32Å; G1307-L1309 PolarHBondContact O-N 3.16Å; G1307-R1310 PolarHBondContact O-N 3.44Å; G1307-Y1311 WeakPolarHBondContact O-CB 3.47Å; G1307-Y1311 PolarHBondContact O-N 2.99Å |
| 1308 | F | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 174.6 | 163.6 | -95.9 | 0 | 0 | 0 | 112.3 | L1221 M1246 L1247 Y1250 M1304 W1305 Y1312 F1370 | L1221-F1308 HydrophobicContact CD1-CE1 3.71Å; L1221-F1308 HydrophobicContact CD1-CZ 3.96Å; L1221-F1308 HydrophobicContact CD2-CE1 4.07Å; L1221-F1308 HydrophobicContact CD2-CE2 4.32Å; L1221-F1308 HydrophobicContact CD2-CZ 3.64Å; L1221-F1308 HydrophobicContact CG-CZ 4.47Å; M1246-F1308 HydrophobicContact CB-CE2 4.24Å; L1247-F1308 HydrophobicContact CB-CD2 4.35Å; L1247-F1308 HydrophobicContact CB-CE2 4.04Å; L1247-F1308 HydrophobicContact CD1-CB 4.35Å; L1247-F1308 HydrophobicContact CD1-CD2 3.68Å; L1247-F1308 HydrophobicContact CD1-CE2 4.17Å; L1247-F1308 HydrophobicContact CD1-CG 4Å; Y1250-F1308 HydrophobicContact CD1-CB 3.62Å; Y1250-F1308 HydrophobicContact CD1-CD2 4.1Å; Y1250-F1308 HydrophobicContact CD1-CG 4.37Å; Y1250-F1308 HydrophobicContact CE1-CB 3.73Å; Y1250-F1308 HydrophobicContact CG-CB 4.23Å; Y1250-F1308 HydrophobicContact CG-CD2 4.22Å; Y1250-F1308 VanDerWaalsContact CZ-N 3.35Å; M1304-F1308 WeakPolarHBondContact O-CB 3.48Å; M1304-F1308 PolarHBondContact O-N 2.87Å; W1305-F1308 HydrophobicContact CZ3-CD1 4.46Å; W1305-F1308 PolarHBondContact O-N 3.46Å; F1308-Y1312 AromaticContact CD2-CD2 3.98Å; F1308-Y1312 HydrophobicContact CD2-CD2 3.98Å; F1308-Y1312 AromaticContact CD2-CE2 3.88Å; F1308-Y1312 HydrophobicContact CD2-CE2 3.88Å; F1308-Y1312 AromaticContact CE2-CD2 3.68Å; F1308-Y1312 HydrophobicContact CE2-CD2 3.68Å; F1308-Y1312 AromaticContact CE2-CE2 3.53Å; F1308-Y1312 HydrophobicContact CE2-CE2 3.53Å; F1308-Y1312 HydrophobicContact CZ-CD2 4.2Å; F1308-Y1312 HydrophobicContact CZ-CE2 4.39Å; F1308-Y1312 PolarHBondContact O-N 3.21Å; F1308-F1370 HydrophobicContact CD1-CE2 4.44Å; F1308-F1370 AromaticContact CE1-CE2 3.59Å; F1308-F1370 HydrophobicContact CE1-CE2 3.59Å; F1308-F1370 AromaticContact CE1-CZ 3.7Å; F1308-F1370 HydrophobicContact CE1-CZ 3.7Å; F1308-F1370 AromaticContact CZ-CE2 3.86Å; F1308-F1370 HydrophobicContact CZ-CE2 3.86Å; F1308-F1370 AromaticContact CZ-CZ 3.87Å; F1308-F1370 HydrophobicContact CZ-CZ 3.87Å |
| 1309 | L | 95 | Very high | 91.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.7 | -48.3 | 178.4 | -65.1 | 171.3 | 0 | 0 | 0 | 110.9 | W1305 L1306 G1307 Y1311 Y1312 L1313 F1370 V1373 L1374 | W1305-L1309 HydrophobicContact CZ2-CD1 4.08Å; W1305-L1309 HydrophobicContact CZ2-CD2 4.41Å; W1305-L1309 HydrophobicContact CZ2-CG 4.49Å; W1305-L1309 PolarHBondContact O-N 2.91Å; L1306-L1309 PolarHBondContact O-N 3.21Å; G1307-L1309 PolarHBondContact O-N 3.16Å; L1309-Y1311 VanDerWaalsContact C-N 3.33Å; L1309-Y1311 PolarHBondContact O-N 3.47Å; L1309-Y1312 PolarHBondContact O-N 2.93Å; L1309-L1313 WeakPolarHBondContact O-CB 3.48Å; L1309-L1313 WeakPolarHBondContact O-CD1 3.24Å; L1309-L1313 VanDerWaalsContact O-CG 3.25Å; L1309-L1313 WeakPolarHBondContact O-CG 3.4Å; L1309-L1313 PolarHBondContact O-N 2.86Å; L1309-F1370 HydrophobicContact CD2-CB 4.37Å; L1309-F1370 HydrophobicContact CD2-CD1 4.37Å; L1309-F1370 HydrophobicContact CD2-CD2 3.67Å; L1309-F1370 HydrophobicContact CD2-CE2 3.92Å; L1309-F1370 HydrophobicContact CD2-CG 3.9Å; L1309-F1370 HydrophobicContact CD2-CZ 4.35Å; L1309-V1373 HydrophobicContact CD1-CB 4.25Å; L1309-V1373 HydrophobicContact CD1-CG1 3.63Å; L1309-V1373 HydrophobicContact CD2-CG1 4.49Å; L1309-L1374 HydrophobicContact CB-CB 4.19Å; L1309-L1374 HydrophobicContact CB-CD1 4.31Å; L1309-L1374 HydrophobicContact CD1-CB 4.19Å |
| 1310 | R | 93.4 | Very high | 91 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 177.8 | -179.1 | -172.1 | 159.3 | 83.7 | 21.8 | 111.9 | W1105 L1306 G1307 Y1312 L1313 F1314 E1315 L1374 | W1105-R1310 VanDerWaalsContact CD1-NH1 3.32Å; W1105-R1310 VanDerWaalsContact CZ2-CD 3.44Å; W1105-R1310 HydrophobicContact CZ3-CB 4.36Å; L1306-R1310 VanDerWaalsContact O-CB 3.28Å; L1306-R1310 WeakPolarHBondContact O-CB 3.25Å; L1306-R1310 PolarHBondContact O-N 3.21Å; G1307-R1310 PolarHBondContact O-N 3.44Å; R1310-Y1312 PolarHBondContact O-N 2.88Å; R1310-L1313 PolarHBondContact O-N 3.45Å; R1310-F1314 HydrophobicContact CG-CD2 3.92Å; R1310-F1314 WeakPolarHBondContact O-CD2 3.42Å; R1310-F1314 PolarHBondContact O-N 3.43Å; R1310-E1315 IonicContact CZ-OE1 2.72Å; R1310-E1315 VanDerWaalsContact CZ-OE1 3.25Å; R1310-E1315 IonicContact NE-OE1 3.31Å; R1310-E1315 PolarHBondContact NE-OE1 2.97Å; R1310-E1315 IonicContact NH2-OE1 3.67Å; R1310-E1315 PolarHBondContact NH2-OE1 3.34Å; R1310-L1374 HydrophobicContact CB-CD2 4.24Å |
| 1311 | Y | 95.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 9% | 0.09 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -52.1 | -178.1 | 178.4 | -103.1 | 0 | 0 | 0 | 111.8 | Y1250 G1307 L1309 L1313 E1315 F1316 | Y1250-Y1311 AromaticContact CD2-CD1 3.75Å; Y1250-Y1311 HydrophobicContact CD2-CD1 3.75Å; Y1250-Y1311 HydrophobicContact CD2-CD2 4.01Å; Y1250-Y1311 HydrophobicContact CD2-CE1 4.39Å; Y1250-Y1311 AromaticContact CD2-CG 3.53Å; Y1250-Y1311 HydrophobicContact CD2-CG 3.53Å; Y1250-Y1311 HydrophobicContact CE2-CD2 4.37Å; Y1250-Y1311 HydrophobicContact CE2-CG 4.08Å; Y1250-Y1311 HydrophobicContact CG-CD1 4.38Å; G1307-Y1311 WeakPolarHBondContact O-CB 3.47Å; G1307-Y1311 PolarHBondContact O-N 2.99Å; L1309-Y1311 VanDerWaalsContact C-N 3.33Å; L1309-Y1311 PolarHBondContact O-N 3.47Å; Y1311-L1313 VanDerWaalsContact C-N 3.31Å; Y1311-L1313 PolarHBondContact O-N 3.18Å; Y1311-E1315 HydrophobicContact CD2-CB 4.02Å; Y1311-E1315 PolarHBondContact O-N 3.14Å; Y1311-F1316 HydrophobicContact CD1-CB 4.06Å; Y1311-F1316 HydrophobicContact CE1-CB 3.71Å; Y1311-F1316 AromaticContact CE1-CD2 3.92Å; Y1311-F1316 HydrophobicContact CE1-CD2 3.92Å; Y1311-F1316 HydrophobicContact CE1-CG 4.09Å; Y1311-F1316 AromaticContact CZ-CD2 3.92Å; Y1311-F1316 PolarHBondContact O-N 3.34Å; Y1311-F1316 WeakPolarHBondContact OH-CD2 3.48Å |
| 1312 | Y | 93.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.02 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -75.2 | -15.9 | 179.6 | -75.1 | -66.8 | 0 | 0 | 0 | 114.6 | M1246 H1249 F1308 L1309 R1310 F1316 V1323 F1342 | M1246-Y1312 WeakPolarHBondContact CA-OH 3.34Å; M1246-Y1312 HydrophobicContact CB-CE2 3.87Å; M1246-Y1312 HydrophobicContact CE-CD1 3.77Å; M1246-Y1312 HydrophobicContact CE-CD2 3.86Å; M1246-Y1312 HydrophobicContact CE-CE1 3.92Å; M1246-Y1312 HydrophobicContact CE-CE2 4Å; M1246-Y1312 HydrophobicContact CE-CG 3.74Å; M1246-Y1312 WeakPolarHBondContact O-CE2 3.34Å; M1246-Y1312 PolarHBondContact O-OH 3.03Å; H1249-Y1312 PolarHBondContact CD2-OH 3.34Å; F1308-Y1312 AromaticContact CD2-CD2 3.98Å; F1308-Y1312 HydrophobicContact CD2-CD2 3.98Å; F1308-Y1312 AromaticContact CD2-CE2 3.88Å; F1308-Y1312 HydrophobicContact CD2-CE2 3.88Å; F1308-Y1312 AromaticContact CE2-CD2 3.68Å; F1308-Y1312 HydrophobicContact CE2-CD2 3.68Å; F1308-Y1312 AromaticContact CE2-CE2 3.53Å; F1308-Y1312 HydrophobicContact CE2-CE2 3.53Å; F1308-Y1312 HydrophobicContact CZ-CD2 4.2Å; F1308-Y1312 HydrophobicContact CZ-CE2 4.39Å; F1308-Y1312 PolarHBondContact O-N 3.21Å; L1309-Y1312 PolarHBondContact O-N 2.93Å; R1310-Y1312 PolarHBondContact O-N 2.88Å; Y1312-F1316 HydrophobicContact CD1-CB 3.98Å; Y1312-F1316 AromaticContact CD1-CD1 3.93Å; Y1312-F1316 HydrophobicContact CD1-CD1 3.93Å; Y1312-F1316 HydrophobicContact CD1-CG 4.06Å; Y1312-F1316 HydrophobicContact CE1-CB 4.24Å; Y1312-F1316 AromaticContact CE1-CD1 3.9Å; Y1312-F1316 HydrophobicContact CE1-CD1 3.9Å; Y1312-F1316 HydrophobicContact CE1-CD2 4.46Å; Y1312-F1316 HydrophobicContact CE1-CE1 4.4Å; Y1312-F1316 AromaticContact CE1-CG 3.93Å; Y1312-F1316 HydrophobicContact CE1-CG 3.93Å; Y1312-V1323 HydrophobicContact CE1-CG2 3.83Å; Y1312-F1342 HydrophobicContact CD1-CE2 4.39Å; Y1312-F1342 AromaticContact CD1-CZ 3.85Å; Y1312-F1342 HydrophobicContact CD1-CZ 3.85Å; Y1312-F1342 AromaticContact CE1-CZ 3.9Å; Y1312-F1342 HydrophobicContact CE1-CZ 3.9Å |
| 1313 | L | 89.8 | Confident | 90.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -85 | -33.7 | 174.3 | -75.7 | 168.7 | 0 | 0 | 0 | 114 | F1093 W1096 L1309 R1310 Y1311 L1367 F1370 H1371 L1374 | F1093-L1313 VanDerWaalsContact CE2-O 3.29Å; F1093-L1313 WeakPolarHBondContact CE2-O 3.47Å; F1093-L1313 WeakPolarHBondContact CZ-O 3.18Å; W1096-L1313 HydrophobicContact CE3-CD2 4.36Å; W1096-L1313 HydrophobicContact CZ3-CD2 4.46Å; L1309-L1313 WeakPolarHBondContact O-CB 3.48Å; L1309-L1313 WeakPolarHBondContact O-CD1 3.24Å; L1309-L1313 VanDerWaalsContact O-CG 3.25Å; L1309-L1313 WeakPolarHBondContact O-CG 3.4Å; L1309-L1313 PolarHBondContact O-N 2.86Å; R1310-L1313 PolarHBondContact O-N 3.45Å; Y1311-L1313 VanDerWaalsContact C-N 3.31Å; Y1311-L1313 PolarHBondContact O-N 3.18Å; L1313-L1367 HydrophobicContact CD2-CB 4.49Å; L1313-L1367 HydrophobicContact CD2-CD2 4.28Å; L1313-L1367 WeakPolarHBondContact CD2-O 3.27Å; L1313-F1370 HydrophobicContact CD1-CB 4.18Å; L1313-F1370 HydrophobicContact CD2-CB 3.84Å; L1313-F1370 HydrophobicContact CG-CB 3.99Å; L1313-H1371 HydrophobicContact CD1-CB 4.21Å; L1313-H1371 HydrophobicContact CD2-CB 4.11Å; L1313-L1374 HydrophobicContact CD1-CB 4.31Å; L1313-L1374 HydrophobicContact CD1-CD2 3.68Å |
| 1314 | F | 88.6 | Confident | 90.7 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -137.4 | -14.9 | -164.3 | -51.7 | -64.9 | 0 | 0 | 0 | 115.7 | W1096 H1097 L1100 R1310 L1374 | W1096-F1314 WeakPolarHBondContact O-CE1 3.49Å; H1097-F1314 PolarHBondContact CE1-O 2.93Å; L1100-F1314 HydrophobicContact CB-CD1 4.1Å; L1100-F1314 HydrophobicContact CB-CE1 4.05Å; L1100-F1314 HydrophobicContact CD1-CB 4.39Å; L1100-F1314 HydrophobicContact CD1-CD1 4.18Å; L1100-F1314 HydrophobicContact CD1-CD2 3.82Å; L1100-F1314 HydrophobicContact CD1-CE1 4.39Å; L1100-F1314 HydrophobicContact CD1-CE2 4.04Å; L1100-F1314 HydrophobicContact CD1-CG 3.88Å; L1100-F1314 HydrophobicContact CD1-CZ 4.31Å; R1310-F1314 HydrophobicContact CG-CD2 3.92Å; R1310-F1314 WeakPolarHBondContact O-CD2 3.42Å; R1310-F1314 PolarHBondContact O-N 3.43Å; F1314-L1374 HydrophobicContact CE2-CD2 3.93Å |
| 1315 | E | 90.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 25.6 Ų | 25.6 | 45% | 0.453 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -38 | -167 | -57.6 | 174.4 | 174 | 0 | 0 | 112.5 | R1310 Y1311 N1317 | R1310-E1315 IonicContact CZ-OE1 2.72Å; R1310-E1315 VanDerWaalsContact CZ-OE1 3.25Å; R1310-E1315 IonicContact NE-OE1 3.31Å; R1310-E1315 PolarHBondContact NE-OE1 2.97Å; R1310-E1315 IonicContact NH2-OE1 3.67Å; R1310-E1315 PolarHBondContact NH2-OE1 3.34Å; Y1311-E1315 HydrophobicContact CD2-CB 4.02Å; Y1311-E1315 PolarHBondContact O-N 3.14Å; E1315-N1317 PolarHBondContact O-N 3.02Å |
| 1316 | F | 91 | Very high | 90.7 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | trans | -77.9 | 104.2 | 175.2 | -175 | -101.2 | 0 | 0 | 0 | 111.8 | H1249 Y1311 Y1312 H1318 V1323 F1342 | H1249-F1316 AromaticContact NE2-CE2 3.62Å; Y1311-F1316 HydrophobicContact CD1-CB 4.06Å; Y1311-F1316 HydrophobicContact CE1-CB 3.71Å; Y1311-F1316 AromaticContact CE1-CD2 3.92Å; Y1311-F1316 HydrophobicContact CE1-CD2 3.92Å; Y1311-F1316 HydrophobicContact CE1-CG 4.09Å; Y1311-F1316 AromaticContact CZ-CD2 3.92Å; Y1311-F1316 PolarHBondContact O-N 3.34Å; Y1311-F1316 WeakPolarHBondContact OH-CD2 3.48Å; Y1312-F1316 HydrophobicContact CD1-CB 3.98Å; Y1312-F1316 AromaticContact CD1-CD1 3.93Å; Y1312-F1316 HydrophobicContact CD1-CD1 3.93Å; Y1312-F1316 HydrophobicContact CD1-CG 4.06Å; Y1312-F1316 HydrophobicContact CE1-CB 4.24Å; Y1312-F1316 AromaticContact CE1-CD1 3.9Å; Y1312-F1316 HydrophobicContact CE1-CD1 3.9Å; Y1312-F1316 HydrophobicContact CE1-CD2 4.46Å; Y1312-F1316 HydrophobicContact CE1-CE1 4.4Å; Y1312-F1316 AromaticContact CE1-CG 3.93Å; Y1312-F1316 HydrophobicContact CE1-CG 3.93Å; F1316-H1318 HydrophobicContact CD1-CB 3.97Å; F1316-H1318 HydrophobicContact CE1-CB 3.91Å; F1316-H1318 PolarHBondContact O-N 2.95Å; F1316-V1323 HydrophobicContact CD1-CG2 4.42Å; F1316-V1323 HydrophobicContact CE1-CG2 3.61Å; F1316-V1323 HydrophobicContact CE2-CG2 4.2Å; F1316-V1323 HydrophobicContact CZ-CB 4.47Å; F1316-V1323 HydrophobicContact CZ-CG2 3.49Å; F1316-V1323 VanDerWaalsContact CZ-CG2 3.49Å; F1316-F1342 HydrophobicContact CD1-CE2 4.08Å; F1316-F1342 HydrophobicContact CD1-CZ 4.26Å; F1316-F1342 HydrophobicContact CE1-CE2 4.03Å; F1316-F1342 HydrophobicContact CE1-CZ 4.09Å | ||
| 1317 | N | 85.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 29 Ų | 29 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | trans | -72 | 91.7 | 174 | -171.6 | -57.5 | 0 | 0 | 0 | 111 | E1315 D1319 K1320 Y1321 | E1315-N1317 PolarHBondContact O-N 3.02Å; N1317-D1319 VanDerWaalsContact C-N 3.32Å; N1317-D1319 PolarHBondContact O-N 3.28Å; N1317-D1319 PolarHBondContact OD1-N 3.22Å; N1317-K1320 HydrophobicContact CB-CB 4.45Å; N1317-K1320 PolarHBondContact O-N 2.88Å; N1317-K1320 WeakPolarHBondContact OD1-CB 3.13Å; N1317-K1320 PolarHBondContact OD1-N 2.92Å; N1317-Y1321 HydrophobicContact CB-CD2 4.06Å; N1317-Y1321 HydrophobicContact CB-CE2 4.3Å; N1317-Y1321 WeakPolarHBondContact O-CD2 3.46Å; N1317-Y1321 PolarHBondContact O-N 3.13Å | ||
| 1318 | H | 84.6 | Confident | 90.7 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -19.8 | -177.5 | 55 | -91.4 | 0 | 0 | 0 | 114.2 | F1093 F1316 K1320 R1333 F1342 F1363 | F1093-H1318 AromaticContact CD2-CE1 3.7Å; F1093-H1318 AromaticContact CE2-CE1 3.73Å; F1316-H1318 HydrophobicContact CD1-CB 3.97Å; F1316-H1318 HydrophobicContact CE1-CB 3.91Å; F1316-H1318 PolarHBondContact O-N 2.95Å; H1318-K1320 VanDerWaalsContact C-N 3.34Å; H1318-R1333 WeakPolarHBondContact O-CD 3.12Å; H1318-R1333 PolarHBondContact O-NH1 2.99Å; H1318-F1342 HydrophobicContact CB-CD2 3.59Å; H1318-F1342 HydrophobicContact CB-CE2 3.63Å; H1318-F1363 AromaticContact CD2-CE1 3.99Å; H1318-F1363 AromaticContact CD2-CZ 3.83Å; H1318-F1363 AromaticContact NE2-CE1 3.67Å; H1318-F1363 AromaticContact NE2-CZ 3.74Å |
| 1319 | D | 72.8 | Confident | 90.4 | Very high | 107 Ų | 107 | 37.8 Ų | 37.8 | 57% | 0.572 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.6 | 171.7 | -69.3 | -40.6 | 0 | 0 | 0 | 112.2 | N1317 R1333 | N1317-D1319 VanDerWaalsContact C-N 3.32Å; N1317-D1319 PolarHBondContact O-N 3.28Å; N1317-D1319 PolarHBondContact OD1-N 3.22Å; D1319-R1333 WeakPolarHBondContact O-CD 3.47Å |
| 1320 | K | 76.1 | Confident | 90.1 | Very high | 100 Ų | 100 | 40.7 Ų | 40.7 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -36.1 | -175.8 | -169.5 | 177.6 | 176.5 | -163.5 | 0 | 113.6 | N1317 H1318 I1332 R1333 | N1317-K1320 HydrophobicContact CB-CB 4.45Å; N1317-K1320 PolarHBondContact O-N 2.88Å; N1317-K1320 WeakPolarHBondContact OD1-CB 3.13Å; N1317-K1320 PolarHBondContact OD1-N 2.92Å; H1318-K1320 VanDerWaalsContact C-N 3.34Å; K1320-I1332 CarbonylContact O-C 3.57Å; K1320-I1332 WeakPolarHBondContact O-CA 3.47Å; K1320-R1333 PolarHBondContact O-N 3.42Å |
| 1321 | Y | 87.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.9 | -167.9 | -58.1 | -64.8 | 0 | 0 | 0 | 114.4 | N1317 L1330 L1331 I1332 R1333 | N1317-Y1321 HydrophobicContact CB-CD2 4.06Å; N1317-Y1321 HydrophobicContact CB-CE2 4.3Å; N1317-Y1321 WeakPolarHBondContact O-CD2 3.46Å; N1317-Y1321 PolarHBondContact O-N 3.13Å; Y1321-L1330 HydrophobicContact CD1-CB 3.76Å; Y1321-L1330 HydrophobicContact CD1-CD1 4.35Å; Y1321-L1330 HydrophobicContact CD2-CD1 4.28Å; Y1321-L1330 HydrophobicContact CE1-CB 3.84Å; Y1321-L1330 HydrophobicContact CE1-CD1 4.09Å; Y1321-L1330 HydrophobicContact CE2-CD1 4.04Å; Y1321-L1330 HydrophobicContact CG-CB 4.36Å; Y1321-L1330 HydrophobicContact CG-CD1 4.43Å; Y1321-L1331 CarbonylContact C-O 3.44Å; Y1321-L1331 VanDerWaalsContact CA-O 3.29Å; Y1321-L1331 WeakPolarHBondContact CA-O 3.42Å; Y1321-I1332 HydrophobicContact CD1-CG1 4.21Å; Y1321-I1332 HydrophobicContact CE1-CG1 4.03Å; Y1321-R1333 WeakPolarHBondContact O-CD 3.48Å |
| 1322 | V | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.9 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | T1324 L1331 R1333 K1336 W1338 A1343 E1345 | V1322-T1324 PolarHBondContact O-N 3.01Å; V1322-L1331 HydrophobicContact CB-CB 4.23Å; V1322-L1331 HydrophobicContact CB-CD2 4Å; V1322-L1331 HydrophobicContact CB-CG 4.08Å; V1322-L1331 HydrophobicContact CG1-CD2 4.16Å; V1322-L1331 HydrophobicContact CG2-CD2 4.36Å; V1322-L1331 HydrophobicContact CG2-CG 4.25Å; V1322-L1331 PolarHBondContact N-O 2.89Å; V1322-R1333 HydrophobicContact CG2-CB 4.26Å; V1322-R1333 HydrophobicContact CG2-CG 3.51Å; V1322-K1336 HydrophobicContact CG2-CG 4.33Å; V1322-W1338 HydrophobicContact CG1-CE3 3.95Å; V1322-W1338 HydrophobicContact CG1-CZ3 3.78Å; V1322-W1338 HydrophobicContact CG2-CE3 4.33Å; V1322-A1343 HydrophobicContact CG1-CB 4.34Å; V1322-A1343 HydrophobicContact CG2-CB 4.2Å; V1322-E1345 HydrophobicContact CG1-CB 3.93Å |
| 1323 | V | 96.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 120.2 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | I1245 M1246 H1249 Y1312 F1316 F1342 A1343 I1344 E1345 | I1245-V1323 HydrophobicContact CG2-CG1 4.41Å; M1246-V1323 HydrophobicContact CG-CG1 4.14Å; H1249-V1323 HydrophobicContact CB-CG1 3.62Å; Y1312-V1323 HydrophobicContact CE1-CG2 3.83Å; F1316-V1323 HydrophobicContact CD1-CG2 4.42Å; F1316-V1323 HydrophobicContact CE1-CG2 3.61Å; F1316-V1323 HydrophobicContact CE2-CG2 4.2Å; F1316-V1323 HydrophobicContact CZ-CB 4.47Å; F1316-V1323 HydrophobicContact CZ-CG2 3.49Å; F1316-V1323 VanDerWaalsContact CZ-CG2 3.49Å; V1323-F1342 HydrophobicContact CG2-CE1 3.79Å; V1323-F1342 HydrophobicContact CG2-CZ 3.73Å; V1323-A1343 PolarHBondContact N-O 2.83Å; V1323-I1344 HydrophobicContact CB-CB 4.29Å; V1323-I1344 HydrophobicContact CB-CG1 4.06Å; V1323-I1344 HydrophobicContact CB-CG2 4.1Å; V1323-I1344 HydrophobicContact CG1-CG2 4.05Å; V1323-I1344 HydrophobicContact CG2-CG1 4.35Å; V1323-I1344 WeakPolarHBondContact O-CA 3.43Å; V1323-E1345 PolarHBondContact O-N 2.96Å |
| 1324 | T | 96.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | trans | -148.5 | 142.1 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | H1249 V1322 Q1327 L1331 E1345 | H1249-T1324 PolarHBondContact ND1-N 3.31Å; H1249-T1324 PolarHBondContact ND1-O 3.19Å; V1322-T1324 PolarHBondContact O-N 3.01Å; T1324-Q1327 HydrophobicContact CG2-CG 3.82Å; T1324-L1331 HydrophobicContact CG2-CB 3.86Å; T1324-L1331 HydrophobicContact CG2-CD2 4.23Å; T1324-E1345 WeakPolarHBondContact CB-OE2 3.13Å; T1324-E1345 PolarHBondContact OG1-OE2 3.14Å | ||
| 1325 | I | 97.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -111.8 | 1.7 | -176.6 | 68.4 | 163.3 | 0 | 0 | 0 | 114.6 | M1203 Y1207 I1245 I1248 H1249 Q1252 P1347 | M1203-I1325 HydrophobicContact CE-CD1 3.94Å; Y1207-I1325 HydrophobicContact CE2-CD1 4.16Å; I1245-I1325 HydrophobicContact CD1-CD1 3.51Å; I1245-I1325 HydrophobicContact CD1-CG1 4.16Å; I1245-I1325 HydrophobicContact CG2-CG1 4.44Å; I1245-I1325 HydrophobicContact CG2-CG2 3.85Å; I1245-I1325 WeakPolarHBondContact O-CG2 3.42Å; I1248-I1325 HydrophobicContact CB-CG2 3.92Å; I1248-I1325 HydrophobicContact CD1-CD1 4.45Å; I1248-I1325 HydrophobicContact CG2-CB 3.77Å; I1248-I1325 HydrophobicContact CG2-CD1 3.88Å; I1248-I1325 HydrophobicContact CG2-CG1 4.45Å; I1248-I1325 HydrophobicContact CG2-CG2 3.52Å; H1249-I1325 HydrophobicContact CB-CG2 3.89Å; Q1252-I1325 PolarHBondContact NE2-O 2.89Å; Q1252-I1325 VanDerWaalsContact NE2-O 3.08Å; Q1252-I1325 PolarHBondContact OE1-O 3.08Å; I1325-P1347 HydrophobicContact CD1-CB 4.24Å; I1325-P1347 HydrophobicContact CD1-CG 4.24Å; I1325-P1347 HydrophobicContact CG1-CB 3.73Å; I1325-P1347 HydrophobicContact CG1-CG 4.2Å |
| 1326 | R | 95.5 | Very high | 84 | Confident | 42 Ų | 42 | 47.7 Ų | 47.7 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -92.3 | -7.4 | -179.5 | 71.9 | 172.8 | 176.5 | 64.6 | 19.1 | 114.5 | V1259 Q1261 E1345 P1347 L1350 | V1259-R1326 WeakPolarHBondContact CG1-O 3.42Å; Q1261-R1326 HydrophobicContact CB-CB 4.32Å; Q1261-R1326 VanDerWaalsContact CD-CB 3.47Å; Q1261-R1326 HydrophobicContact CG-CB 4.49Å; Q1261-R1326 VanDerWaalsContact OE1-CA 3.26Å; R1326-E1345 IonicContact CZ-OE1 3.46Å; R1326-E1345 IonicContact CZ-OE2 2.85Å; R1326-E1345 IonicContact NE-OE1 3.34Å; R1326-E1345 PolarHBondContact NE-OE1 3Å; R1326-E1345 IonicContact NE-OE2 3.09Å; R1326-E1345 PolarHBondContact NE-OE2 3.08Å; R1326-E1345 IonicContact NH2-OE1 3.78Å; R1326-E1345 PolarHBondContact NH2-OE1 2.96Å; R1326-E1345 IonicContact NH2-OE2 3.49Å; R1326-E1345 PolarHBondContact NH2-OE2 2.92Å; R1326-P1347 HydrophobicContact CB-CB 4.46Å; R1326-L1350 VanDerWaalsContact CD-CD2 3.4Å |
| 1327 | Q | 94.1 | Very high | 82.7 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | trans | -149.2 | 137.5 | 179.9 | 56.4 | 173.5 | 78.7 | 0 | 0 | 111.6 | E1262 T1324 K1329 | E1262-Q1327 WeakPolarHBondContact OE1-CA 3.45Å; E1262-Q1327 WeakPolarHBondContact OE1-CB 3.34Å; E1262-Q1327 WeakPolarHBondContact OE2-CA 3.44Å; T1324-Q1327 HydrophobicContact CG2-CG 3.82Å; Q1327-K1329 PolarHBondContact NE2-O 3.24Å | ||
| 1328 | K | 94.3 | Very high | 81.8 | Confident | 65 Ų | 65 | 50.1 Ų | 50.1 | 28% | 0.283 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -70 | -38 | 176.3 | 173.7 | 71.3 | -177.1 | -158.6 | 0 | 111.7 | Q1252 Q1253 D1255 V1259 E1262 L1330 | Q1252-K1328 WeakPolarHBondContact O-CD 3.46Å; Q1252-K1328 PolarHBondContact O-NZ 3.04Å; Q1253-K1328 PolarHBondContact NE2-O 2.85Å; Q1253-K1328 PolarHBondContact O-NZ 3.41Å; D1255-K1328 IonicContact OD1-NZ 2.72Å; D1255-K1328 PolarHBondContact OD1-NZ 2.87Å; D1255-K1328 IonicContact OD2-NZ 3.6Å; D1255-K1328 PolarHBondContact OD2-NZ 3.27Å; V1259-K1328 HydrophobicContact CG2-CB 4.04Å; E1262-K1328 PolarHBondContact OE2-N 3.04Å; K1328-L1330 PolarHBondContact O-N 3.38Å |
| 1329 | K | 91.6 | Very high | 80.9 | Confident | 130 Ų | 130 | 54.5 Ų | 54.5 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.6 | 126.4 | -179.8 | -176.4 | -179.6 | -179.1 | -178.9 | 0 | 110.6 | H60 Q1327 L1331 | H60-K1329 PolarHBondContact CD2-NZ 2.76Å; H60-K1329 PolarHBondContact NE2-NZ 2.75Å; Q1327-K1329 PolarHBondContact NE2-O 3.24Å; K1329-L1331 PolarHBondContact O-N 3.24Å |
| 1330 | L | 89.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 126.3 | 178.6 | -67.1 | 176.4 | 0 | 0 | 0 | 112.2 | Y1321 K1328 | Y1321-L1330 HydrophobicContact CD1-CB 3.76Å; Y1321-L1330 HydrophobicContact CD1-CD1 4.35Å; Y1321-L1330 HydrophobicContact CD2-CD1 4.28Å; Y1321-L1330 HydrophobicContact CE1-CB 3.84Å; Y1321-L1330 HydrophobicContact CE1-CD1 4.09Å; Y1321-L1330 HydrophobicContact CE2-CD1 4.04Å; Y1321-L1330 HydrophobicContact CG-CB 4.36Å; Y1321-L1330 HydrophobicContact CG-CD1 4.43Å; K1328-L1330 PolarHBondContact O-N 3.38Å |
| 1331 | L | 84.7 | Confident | 80.7 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.5 | -179.8 | 178.2 | 60.9 | 0 | 0 | 0 | 110.5 | Y1321 V1322 T1324 K1329 K1336 E1345 | Y1321-L1331 CarbonylContact C-O 3.44Å; Y1321-L1331 VanDerWaalsContact CA-O 3.29Å; Y1321-L1331 WeakPolarHBondContact CA-O 3.42Å; V1322-L1331 HydrophobicContact CB-CB 4.23Å; V1322-L1331 HydrophobicContact CB-CD2 4Å; V1322-L1331 HydrophobicContact CB-CG 4.08Å; V1322-L1331 HydrophobicContact CG1-CD2 4.16Å; V1322-L1331 HydrophobicContact CG2-CD2 4.36Å; V1322-L1331 HydrophobicContact CG2-CG 4.25Å; V1322-L1331 PolarHBondContact N-O 2.89Å; T1324-L1331 HydrophobicContact CG2-CB 3.86Å; T1324-L1331 HydrophobicContact CG2-CD2 4.23Å; K1329-L1331 PolarHBondContact O-N 3.24Å; L1331-K1336 HydrophobicContact CD2-CG 4.07Å; L1331-K1336 HydrophobicContact CG-CG 4.42Å; L1331-E1345 WeakPolarHBondContact CD2-OE2 3.19Å |
| 1332 | I | 74.4 | Confident | 80.7 | Confident | 74 Ų | 74 | 45.6 Ų | 45.6 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 130.9 | -178.2 | -57.1 | 174.4 | 0 | 0 | 0 | 110.1 | K1320 Y1321 F1334 V1335 | K1320-I1332 CarbonylContact O-C 3.57Å; K1320-I1332 WeakPolarHBondContact O-CA 3.47Å; Y1321-I1332 HydrophobicContact CD1-CG1 4.21Å; Y1321-I1332 HydrophobicContact CE1-CG1 4.03Å; I1332-F1334 HydrophobicContact CG2-CB 4.03Å; I1332-F1334 PolarHBondContact O-N 2.9Å; I1332-F1334 VanDerWaalsContact O-N 3.17Å; I1332-V1335 HydrophobicContact CB-CG2 4.25Å; I1332-V1335 WeakPolarHBondContact O-CB 3.22Å; I1332-V1335 PolarHBondContact O-N 3.37Å |
| 1333 | R | 72.1 | Confident | 80.7 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -34.9 | -179.1 | -83.4 | 177.8 | 59.7 | -174.8 | -9.2 | 114.1 | H1318 D1319 K1320 Y1321 V1322 V1335 K1336 M1337 W1338 R1339 S1340 L1341 A1343 | H1318-R1333 WeakPolarHBondContact O-CD 3.12Å; H1318-R1333 PolarHBondContact O-NH1 2.99Å; D1319-R1333 WeakPolarHBondContact O-CD 3.47Å; K1320-R1333 PolarHBondContact O-N 3.42Å; Y1321-R1333 WeakPolarHBondContact O-CD 3.48Å; V1322-R1333 HydrophobicContact CG2-CB 4.26Å; V1322-R1333 HydrophobicContact CG2-CG 3.51Å; R1333-V1335 VanDerWaalsContact C-N 3.33Å; R1333-V1335 PolarHBondContact O-N 3.32Å; R1333-K1336 CarbonylContact O-C 3.6Å; R1333-K1336 PolarHBondContact O-N 3.42Å; R1333-K1336 VanDerWaalsContact O-N 3.12Å; R1333-M1337 PolarHBondContact O-N 2.91Å; R1333-W1338 PolarHBondContact NE-O 2.6Å; R1333-W1338 PolarHBondContact NH2-O 3.17Å; R1333-W1338 PolarHBondContact O-N 2.83Å; R1333-R1339 PolarHBondContact NH2-O 2.76Å; R1333-S1340 PolarHBondContact NH1-O 3.19Å; R1333-S1340 PolarHBondContact NH2-O 3.31Å; R1333-L1341 PolarHBondContact NH1-O 3.45Å; R1333-A1343 HydrophobicContact CG-CB 4.09Å |
| 1334 | F | 61.7 | Low | 80.6 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 38% | 0.382 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57 | -42.4 | 175.2 | -175.8 | -99.2 | 0 | 0 | 0 | 112.7 | T50 I1332 K1336 M1337 | T50-F1334 HydrophobicContact CG2-CE1 4.28Å; T50-F1334 WeakPolarHBondContact OG1-CE1 3.34Å; T50-F1334 WeakPolarHBondContact OG1-CZ 3.27Å; I1332-F1334 HydrophobicContact CG2-CB 4.03Å; I1332-F1334 PolarHBondContact O-N 2.9Å; I1332-F1334 VanDerWaalsContact O-N 3.17Å; F1334-K1336 PolarHBondContact O-N 2.82Å; F1334-M1337 HydrophobicContact CE1-CE 4.24Å; F1334-M1337 HydrophobicContact CE2-CE 4.24Å; F1334-M1337 HydrophobicContact CZ-CE 4.06Å; F1334-M1337 WeakPolarHBondContact O-CE 3.46Å; F1334-M1337 PolarHBondContact O-N 2.88Å |
| 1335 | V | 58.7 | Low | 80.6 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -25.2 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | I1332 R1333 | I1332-V1335 HydrophobicContact CB-CG2 4.25Å; I1332-V1335 WeakPolarHBondContact O-CB 3.22Å; I1332-V1335 PolarHBondContact O-N 3.37Å; R1333-V1335 VanDerWaalsContact C-N 3.33Å; R1333-V1335 PolarHBondContact O-N 3.32Å |
| 1336 | K | 69.6 | Low | 80.5 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -91.7 | -10.1 | 173.8 | -76.3 | -68 | -172.1 | 175.5 | 0 | 114.4 | V1322 L1331 R1333 F1334 W1338 E1345 L1350 | V1322-K1336 HydrophobicContact CG2-CG 4.33Å; L1331-K1336 HydrophobicContact CD2-CG 4.07Å; L1331-K1336 HydrophobicContact CG-CG 4.42Å; R1333-K1336 CarbonylContact O-C 3.6Å; R1333-K1336 PolarHBondContact O-N 3.42Å; R1333-K1336 VanDerWaalsContact O-N 3.12Å; F1334-K1336 PolarHBondContact O-N 2.82Å; K1336-W1338 HydrophobicContact CB-CB 4.04Å; K1336-W1338 HydrophobicContact CB-CD2 3.78Å; K1336-W1338 HydrophobicContact CB-CE3 4.28Å; K1336-W1338 HydrophobicContact CB-CG 3.66Å; K1336-W1338 HydrophobicContact CD-CD2 4.45Å; K1336-W1338 HydrophobicContact CD-CZ2 4.19Å; K1336-W1338 HydrophobicContact CG-CD2 4.22Å; K1336-W1338 HydrophobicContact CG-CE3 4.36Å; K1336-W1338 PolarHBondContact O-N 3.18Å; K1336-W1338 VanDerWaalsContact O-N 3.12Å; K1336-E1345 WeakPolarHBondContact CE-OE1 3.23Å; K1336-E1345 IonicContact NZ-OE1 2.63Å; K1336-E1345 PolarHBondContact NZ-OE1 2.65Å; K1336-L1350 PolarHBondContact NZ-O 3.11Å |
| 1337 | M | 64 | Low | 80.4 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 43% | 0.429 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 24.1 | -166.1 | -60.2 | -64.5 | 164.7 | 0 | 0 | 113.6 | R1333 F1334 R1339 | R1333-M1337 PolarHBondContact O-N 2.91Å; F1334-M1337 HydrophobicContact CE1-CE 4.24Å; F1334-M1337 HydrophobicContact CE2-CE 4.24Å; F1334-M1337 HydrophobicContact CZ-CE 4.06Å; F1334-M1337 WeakPolarHBondContact O-CE 3.46Å; F1334-M1337 PolarHBondContact O-N 2.88Å; M1337-R1339 PolarHBondContact O-N 3.33Å |
| 1338 | W | 68 | Low | 80.3 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | trans | -86.8 | 107.7 | -174.8 | -75.2 | 0.4 | 0 | 0 | 0 | 111.8 | V1322 R1333 K1336 A1343 E1345 L1350 N1353 | V1322-W1338 HydrophobicContact CG1-CE3 3.95Å; V1322-W1338 HydrophobicContact CG1-CZ3 3.78Å; V1322-W1338 HydrophobicContact CG2-CE3 4.33Å; R1333-W1338 PolarHBondContact NE-O 2.6Å; R1333-W1338 PolarHBondContact NH2-O 3.17Å; R1333-W1338 PolarHBondContact O-N 2.83Å; K1336-W1338 HydrophobicContact CB-CB 4.04Å; K1336-W1338 HydrophobicContact CB-CD2 3.78Å; K1336-W1338 HydrophobicContact CB-CE3 4.28Å; K1336-W1338 HydrophobicContact CB-CG 3.66Å; K1336-W1338 HydrophobicContact CD-CD2 4.45Å; K1336-W1338 HydrophobicContact CD-CZ2 4.19Å; K1336-W1338 HydrophobicContact CG-CD2 4.22Å; K1336-W1338 HydrophobicContact CG-CE3 4.36Å; K1336-W1338 PolarHBondContact O-N 3.18Å; K1336-W1338 VanDerWaalsContact O-N 3.12Å; W1338-A1343 HydrophobicContact CE3-CB 4.32Å; W1338-E1345 HydrophobicContact CH2-CB 4.01Å; W1338-E1345 HydrophobicContact CH2-CG 3.94Å; W1338-E1345 HydrophobicContact CZ3-CB 3.89Å; W1338-E1345 HydrophobicContact CZ3-CG 4.29Å; W1338-L1350 WeakPolarHBondContact CZ2-O 3.48Å; W1338-N1353 HydrophobicContact CD2-CB 3.8Å; W1338-N1353 HydrophobicContact CE3-CB 3.76Å; W1338-N1353 HydrophobicContact CH2-CB 3.82Å; W1338-N1353 HydrophobicContact CZ2-CB 3.88Å; W1338-N1353 HydrophobicContact CZ3-CB 3.76Å | ||
| 1339 | R | 64.9 | Low | 80 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 41% | 0.411 | 20% | 0.198 | S | C | . | . | trans | -99.3 | 3.3 | -173.5 | -46.8 | -179 | 176.7 | 163.6 | -6.5 | 115.1 | L1075 T1076 R1333 M1337 | L1075-R1339 WeakPolarHBondContact CD1-O 3.13Å; L1075-R1339 HydrophobicContact CD2-CB 3.48Å; L1075-R1339 VanDerWaalsContact CD2-CB 3.48Å; L1075-R1339 WeakPolarHBondContact CD2-O 3.45Å; T1076-R1339 PolarHBondContact OG1-NH1 2.94Å; R1333-R1339 PolarHBondContact NH2-O 2.76Å; M1337-R1339 PolarHBondContact O-N 3.33Å | ||
| 1340 | S | 71.4 | Confident | 80 | Confident | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.119 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -61.3 | 157 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | R1333 F1342 N1353 | R1333-S1340 PolarHBondContact NH1-O 3.19Å; R1333-S1340 PolarHBondContact NH2-O 3.31Å; S1340-F1342 VanDerWaalsContact C-N 3.34Å; S1340-F1342 WeakPolarHBondContact CB-O 3.45Å; S1340-F1342 PolarHBondContact O-N 2.9Å; S1340-F1342 PolarHBondContact OG-O 2.84Å; S1340-N1353 PolarHBondContact OG-ND2 3.03Å |
| 1341 | L | 74 | Confident | 79.8 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -55.9 | -46.9 | -177.5 | -65.5 | 173.8 | 0 | 0 | 0 | 112.8 | R1333 H1360 F1363 | R1333-L1341 PolarHBondContact NH1-O 3.45Å; L1341-H1360 VanDerWaalsContact CD1-CA 3.41Å; L1341-H1360 HydrophobicContact CD1-CB 3.74Å; L1341-F1363 HydrophobicContact CB-CD1 4.33Å |
| 1342 | F | 86.2 | Confident | 80 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -119.9 | 151.7 | 170.2 | -158.4 | -106.1 | 0 | 0 | 0 | 109.2 | M1246 Y1312 F1316 H1318 V1323 S1340 I1344 T1355 L1358 F1363 | M1246-F1342 HydrophobicContact CE-CE1 3.87Å; M1246-F1342 HydrophobicContact CE-CZ 3.81Å; M1246-F1342 HydrophobicContact CG-CE1 4.25Å; M1246-F1342 HydrophobicContact SD-CE1 3.83Å; M1246-F1342 HydrophobicContact SD-CZ 4.38Å; Y1312-F1342 HydrophobicContact CD1-CE2 4.39Å; Y1312-F1342 AromaticContact CD1-CZ 3.85Å; Y1312-F1342 HydrophobicContact CD1-CZ 3.85Å; Y1312-F1342 AromaticContact CE1-CZ 3.9Å; Y1312-F1342 HydrophobicContact CE1-CZ 3.9Å; F1316-F1342 HydrophobicContact CD1-CE2 4.08Å; F1316-F1342 HydrophobicContact CD1-CZ 4.26Å; F1316-F1342 HydrophobicContact CE1-CE2 4.03Å; F1316-F1342 HydrophobicContact CE1-CZ 4.09Å; H1318-F1342 HydrophobicContact CB-CD2 3.59Å; H1318-F1342 HydrophobicContact CB-CE2 3.63Å; V1323-F1342 HydrophobicContact CG2-CE1 3.79Å; V1323-F1342 HydrophobicContact CG2-CZ 3.73Å; S1340-F1342 VanDerWaalsContact C-N 3.34Å; S1340-F1342 WeakPolarHBondContact CB-O 3.45Å; S1340-F1342 PolarHBondContact O-N 2.9Å; S1340-F1342 PolarHBondContact OG-O 2.84Å; F1342-I1344 HydrophobicContact CD1-CD1 3.87Å; F1342-I1344 HydrophobicContact CD1-CG1 3.65Å; F1342-I1344 HydrophobicContact CE1-CD1 3.75Å; F1342-I1344 HydrophobicContact CE1-CG1 3.6Å; F1342-T1355 HydrophobicContact CD1-CG2 4.34Å; F1342-T1355 PolarHBondContact O-OG1 2.84Å; F1342-L1358 HydrophobicContact CB-CD2 3.83Å; F1342-F1363 HydrophobicContact CB-CD2 4.29Å; F1342-F1363 HydrophobicContact CB-CE2 3.93Å; F1342-F1363 HydrophobicContact CB-CZ 4.37Å; F1342-F1363 AromaticContact CD2-CE2 3.59Å; F1342-F1363 HydrophobicContact CD2-CE2 3.59Å; F1342-F1363 AromaticContact CD2-CZ 3.78Å; F1342-F1363 HydrophobicContact CD2-CZ 3.78Å; F1342-F1363 HydrophobicContact CE2-CE2 4.37Å; F1342-F1363 AromaticContact CG-CE2 3.97Å; F1342-F1363 HydrophobicContact CG-CE2 3.97Å; F1342-F1363 HydrophobicContact CG-CZ 4.46Å |
| 1343 | A | 89.2 | Confident | 80.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | trans | -135 | 118.6 | -173 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1322 V1323 R1333 W1338 | V1322-A1343 HydrophobicContact CG1-CB 4.34Å; V1322-A1343 HydrophobicContact CG2-CB 4.2Å; V1323-A1343 PolarHBondContact N-O 2.83Å; R1333-A1343 HydrophobicContact CG-CB 4.09Å; W1338-A1343 HydrophobicContact CE3-CB 4.32Å | ||
| 1344 | I | 94.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 121.5 | 179.8 | -49.3 | 176.3 | 0 | 0 | 0 | 109.3 | I1238 A1242 I1245 M1246 V1323 F1342 N1353 L1354 T1355 | I1238-I1344 HydrophobicContact CG2-CD1 4.46Å; A1242-I1344 HydrophobicContact CB-CD1 4Å; I1245-I1344 HydrophobicContact CB-CG2 4.13Å; I1245-I1344 HydrophobicContact CG2-CG2 3.6Å; M1246-I1344 HydrophobicContact CG-CD1 3.7Å; M1246-I1344 HydrophobicContact CG-CG1 4.46Å; M1246-I1344 HydrophobicContact SD-CD1 3.77Å; V1323-I1344 HydrophobicContact CB-CB 4.29Å; V1323-I1344 HydrophobicContact CB-CG1 4.06Å; V1323-I1344 HydrophobicContact CB-CG2 4.1Å; V1323-I1344 HydrophobicContact CG1-CG2 4.05Å; V1323-I1344 HydrophobicContact CG2-CG1 4.35Å; V1323-I1344 WeakPolarHBondContact O-CA 3.43Å; F1342-I1344 HydrophobicContact CD1-CD1 3.87Å; F1342-I1344 HydrophobicContact CD1-CG1 3.65Å; F1342-I1344 HydrophobicContact CE1-CD1 3.75Å; F1342-I1344 HydrophobicContact CE1-CG1 3.6Å; I1344-N1353 PolarHBondContact N-OD1 3.38Å; I1344-N1353 CarbonylContact O-C 3.54Å; I1344-N1353 VanDerWaalsContact O-CA 3.31Å; I1344-N1353 WeakPolarHBondContact O-CA 3.32Å; I1344-L1354 HydrophobicContact CB-CB 4.18Å; I1344-L1354 HydrophobicContact CG2-CB 4.42Å; I1344-L1354 HydrophobicContact CG2-CD1 3.9Å; I1344-L1354 HydrophobicContact CG2-CG 4.41Å; I1344-L1354 PolarHBondContact O-N 2.84Å; I1344-T1355 HydrophobicContact CD1-CG2 3.6Å; I1344-T1355 HydrophobicContact CG1-CG2 4.03Å; I1344-T1355 PolarHBondContact N-OG1 3.1Å |
| 1345 | E | 95.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 130.1 | 179.3 | -167.8 | -177.5 | -149.3 | 0 | 0 | 111.3 | V1322 V1323 T1324 R1326 L1331 K1336 W1338 L1350 | V1322-E1345 HydrophobicContact CG1-CB 3.93Å; V1323-E1345 PolarHBondContact O-N 2.96Å; T1324-E1345 WeakPolarHBondContact CB-OE2 3.13Å; T1324-E1345 PolarHBondContact OG1-OE2 3.14Å; R1326-E1345 IonicContact CZ-OE1 3.46Å; R1326-E1345 IonicContact CZ-OE2 2.85Å; R1326-E1345 IonicContact NE-OE1 3.34Å; R1326-E1345 PolarHBondContact NE-OE1 3Å; R1326-E1345 IonicContact NE-OE2 3.09Å; R1326-E1345 PolarHBondContact NE-OE2 3.08Å; R1326-E1345 IonicContact NH2-OE1 3.78Å; R1326-E1345 PolarHBondContact NH2-OE1 2.96Å; R1326-E1345 IonicContact NH2-OE2 3.49Å; R1326-E1345 PolarHBondContact NH2-OE2 2.92Å; L1331-E1345 WeakPolarHBondContact CD2-OE2 3.19Å; K1336-E1345 WeakPolarHBondContact CE-OE1 3.23Å; K1336-E1345 IonicContact NZ-OE1 2.63Å; K1336-E1345 PolarHBondContact NZ-OE1 2.65Å; W1338-E1345 HydrophobicContact CH2-CB 4.01Å; W1338-E1345 HydrophobicContact CH2-CG 3.94Å; W1338-E1345 HydrophobicContact CZ3-CB 3.89Å; W1338-E1345 HydrophobicContact CZ3-CG 4.29Å; E1345-L1350 HydrophobicContact CG-CD2 4.49Å |
| 1346 | D | 94.7 | Very high | 84 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | trans | -65.3 | 125.9 | 162.1 | -173.3 | -60.7 | 0 | 0 | 0 | 109 | N1200 F1348 N1349 L1350 H1352 L1354 | N1200-D1346 PolarHBondContact ND2-OD1 3.12Å; D1346-F1348 PolarHBondContact O-N 2.85Å; D1346-F1348 VanDerWaalsContact O-N 3.08Å; D1346-F1348 PolarHBondContact OD1-N 3.28Å; D1346-F1348 VanDerWaalsContact OD1-N 3.15Å; D1346-N1349 HydrophobicContact CB-CB 4.3Å; D1346-N1349 PolarHBondContact OD1-N 3.23Å; D1346-L1350 WeakPolarHBondContact O-CD2 3.39Å; D1346-H1352 HydrophobicContact CB-CB 3.88Å; D1346-H1352 PolarHBondContact N-O 2.96Å; D1346-H1352 VanDerWaalsContact N-O 3.08Å; D1346-H1352 IonicContact OD2-ND1 3.33Å; D1346-H1352 PolarHBondContact OD2-ND1 3.37Å; D1346-L1354 HydrophobicContact CB-CD2 4.17Å | ||
| 1347 | P | 94.2 | Very high | 84.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -67.3 | -12.9 | -169.5 | 29.6 | -37.3 | 0 | 0 | 0 | 114.4 | N1200 M1203 Y1241 I1245 Q1261 I1325 R1326 | N1200-P1347 VanDerWaalsContact OD1-CG 3.25Å; N1200-P1347 WeakPolarHBondContact OD1-CG 3.29Å; M1203-P1347 HydrophobicContact CE-CB 3.86Å; M1203-P1347 HydrophobicContact CE-CG 3.6Å; Y1241-P1347 WeakPolarHBondContact OH-CD 3.36Å; I1245-P1347 HydrophobicContact CD1-CG 4.42Å; Q1261-P1347 PolarHBondContact NE2-O 3.36Å; I1325-P1347 HydrophobicContact CD1-CB 4.24Å; I1325-P1347 HydrophobicContact CD1-CG 4.24Å; I1325-P1347 HydrophobicContact CG1-CB 3.73Å; I1325-P1347 HydrophobicContact CG1-CG 4.2Å; R1326-P1347 HydrophobicContact CB-CB 4.46Å |
| 1348 | F | 91.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -116.2 | -51.2 | 174.3 | -59.4 | -44.6 | 0 | 0 | 0 | 112 | N1200 M1203 Q1261 W1277 N1278 V1279 Y1281 D1346 L1350 | N1200-F1348 VanDerWaalsContact OD1-CD2 3.23Å; N1200-F1348 WeakPolarHBondContact OD1-CD2 3.39Å; N1200-F1348 WeakPolarHBondContact OD1-CE2 3.4Å; M1203-F1348 HydrophobicContact CB-CZ 4.35Å; M1203-F1348 HydrophobicContact CE-CE1 4.48Å; M1203-F1348 HydrophobicContact CE-CE2 4.16Å; M1203-F1348 HydrophobicContact CE-CZ 3.89Å; M1203-F1348 HydrophobicContact SD-CE1 4.18Å; M1203-F1348 HydrophobicContact SD-CE2 4.41Å; M1203-F1348 HydrophobicContact SD-CZ 3.64Å; Q1261-F1348 HydrophobicContact CG-CE1 4.41Å; Q1261-F1348 VanDerWaalsContact NE2-CE1 3.32Å; W1277-F1348 WeakPolarHBondContact CB-O 3.3Å; W1277-F1348 VanDerWaalsContact CE3-O 3.23Å; W1277-F1348 VanDerWaalsContact CG-O 3.24Å; N1278-F1348 WeakPolarHBondContact O-CD1 3.41Å; V1279-F1348 HydrophobicContact CB-CD1 4.15Å; V1279-F1348 HydrophobicContact CB-CD2 4.38Å; V1279-F1348 HydrophobicContact CB-CE1 4.19Å; V1279-F1348 HydrophobicContact CB-CE2 4.43Å; V1279-F1348 HydrophobicContact CB-CG 4.25Å; V1279-F1348 HydrophobicContact CB-CZ 4.33Å; V1279-F1348 HydrophobicContact CG1-CB 4.04Å; V1279-F1348 HydrophobicContact CG1-CD1 4.14Å; V1279-F1348 HydrophobicContact CG1-CD2 4.07Å; V1279-F1348 HydrophobicContact CG1-CG 3.83Å; Y1281-F1348 HydrophobicContact CD1-CZ 4.09Å; D1346-F1348 PolarHBondContact O-N 2.85Å; D1346-F1348 VanDerWaalsContact O-N 3.08Å; D1346-F1348 PolarHBondContact OD1-N 3.28Å; D1346-F1348 VanDerWaalsContact OD1-N 3.15Å; F1348-L1350 WeakPolarHBondContact O-CD2 3.45Å; F1348-L1350 WeakPolarHBondContact O-CG 3.42Å; F1348-L1350 PolarHBondContact O-N 3.43Å |
| 1349 | N | 88.6 | Confident | 85 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -83.3 | 79.8 | 178.7 | -178.1 | 4.3 | 0 | 0 | 0 | 110.2 | W1277 D1346 N1351 H1352 | W1277-N1349 WeakPolarHBondContact CZ2-OD1 3.19Å; W1277-N1349 PolarHBondContact NE1-OD1 3.1Å; D1346-N1349 HydrophobicContact CB-CB 4.3Å; D1346-N1349 PolarHBondContact OD1-N 3.23Å; N1349-N1351 PolarHBondContact O-N 2.94Å; N1349-H1352 HydrophobicContact CB-CB 4.11Å; N1349-H1352 VanDerWaalsContact O-CB 3.28Å; N1349-H1352 WeakPolarHBondContact O-CB 3.48Å; N1349-H1352 PolarHBondContact O-N 3.49Å |
| 1350 | L | 90.3 | Very high | 85.3 | Confident | 40 Ų | 40 | 28 Ų | 28 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.4 | -165.4 | -47.2 | -170.7 | 0 | 0 | 0 | 114.7 | W1277 R1326 K1336 W1338 E1345 D1346 F1348 | W1277-L1350 HydrophobicContact CE3-CB 4.19Å; W1277-L1350 HydrophobicContact CE3-CD1 4.42Å; W1277-L1350 HydrophobicContact CE3-CG 3.79Å; W1277-L1350 HydrophobicContact CH2-CB 3.89Å; W1277-L1350 HydrophobicContact CH2-CG 4.41Å; W1277-L1350 HydrophobicContact CZ3-CB 3.52Å; W1277-L1350 HydrophobicContact CZ3-CD1 4.11Å; W1277-L1350 HydrophobicContact CZ3-CG 3.58Å; R1326-L1350 VanDerWaalsContact CD-CD2 3.4Å; K1336-L1350 PolarHBondContact NZ-O 3.11Å; W1338-L1350 WeakPolarHBondContact CZ2-O 3.48Å; E1345-L1350 HydrophobicContact CG-CD2 4.49Å; D1346-L1350 WeakPolarHBondContact O-CD2 3.39Å; F1348-L1350 WeakPolarHBondContact O-CD2 3.45Å; F1348-L1350 WeakPolarHBondContact O-CG 3.42Å; F1348-L1350 PolarHBondContact O-N 3.43Å |
| 1351 | N | 86.7 | Confident | 85.3 | Confident | 121 Ų | 121 | 27.5 Ų | 27.5 | 65% | 0.647 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -6.8 | 173 | -67.8 | -12.6 | 0 | 0 | 0 | 113.2 | W1277 N1349 | W1277-N1351 HydrophobicContact CH2-CB 4.3Å; W1277-N1351 HydrophobicContact CZ2-CB 4.2Å; N1349-N1351 PolarHBondContact O-N 2.94Å |
| 1352 | H | 89.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 25.7 Ų | 25.7 | 40% | 0.398 | 16% | 0.163 | S | C | . | . | trans | -93.1 | 108.4 | -178.7 | -174.6 | -148.3 | 0 | 0 | 0 | 111 | D1346 N1349 L1354 | D1346-H1352 HydrophobicContact CB-CB 3.88Å; D1346-H1352 PolarHBondContact N-O 2.96Å; D1346-H1352 VanDerWaalsContact N-O 3.08Å; D1346-H1352 IonicContact OD2-ND1 3.33Å; D1346-H1352 PolarHBondContact OD2-ND1 3.37Å; N1349-H1352 HydrophobicContact CB-CB 4.11Å; N1349-H1352 VanDerWaalsContact O-CB 3.28Å; N1349-H1352 WeakPolarHBondContact O-CB 3.48Å; N1349-H1352 PolarHBondContact O-N 3.49Å; H1352-L1354 WeakPolarHBondContact CE1-CD2 3.33Å; H1352-L1354 WeakPolarHBondContact ND1-CD2 3.3Å | ||
| 1353 | N | 90.1 | Very high | 85.6 | Confident | 16 Ų | 16 | 26 Ų | 26 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -91.5 | 109.3 | 171.9 | 177.8 | -1.5 | 0 | 0 | 0 | 109.5 | W1338 S1340 I1344 T1355 A1356 | W1338-N1353 HydrophobicContact CD2-CB 3.8Å; W1338-N1353 HydrophobicContact CE3-CB 3.76Å; W1338-N1353 HydrophobicContact CH2-CB 3.82Å; W1338-N1353 HydrophobicContact CZ2-CB 3.88Å; W1338-N1353 HydrophobicContact CZ3-CB 3.76Å; S1340-N1353 PolarHBondContact OG-ND2 3.03Å; I1344-N1353 PolarHBondContact N-OD1 3.38Å; I1344-N1353 CarbonylContact O-C 3.54Å; I1344-N1353 VanDerWaalsContact O-CA 3.31Å; I1344-N1353 WeakPolarHBondContact O-CA 3.32Å; N1353-T1355 PolarHBondContact O-N 2.88Å; N1353-T1355 PolarHBondContact OD1-N 2.73Å; N1353-T1355 PolarHBondContact OD1-OG1 2.83Å; N1353-A1356 HydrophobicContact CB-CB 4.23Å; N1353-A1356 WeakPolarHBondContact O-CB 3.49Å; N1353-A1356 PolarHBondContact O-N 3.33Å; N1353-A1356 VanDerWaalsContact O-N 3.12Å |
| 1354 | L | 90.5 | Very high | 85.2 | Confident | 25 Ų | 25 | 27.2 Ų | 27.2 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.4 | -172.6 | -52.1 | 176.6 | 0 | 0 | 0 | 113.9 | Y1241 A1242 I1245 I1344 D1346 H1352 | Y1241-L1354 HydrophobicContact CD1-CD1 3.75Å; Y1241-L1354 HydrophobicContact CD1-CD2 4.2Å; Y1241-L1354 HydrophobicContact CE1-CD1 3.59Å; Y1241-L1354 HydrophobicContact CE1-CD2 4.05Å; Y1241-L1354 HydrophobicContact CE1-CG 4.5Å; A1242-L1354 HydrophobicContact CB-CB 3.76Å; A1242-L1354 HydrophobicContact CB-CD1 3.79Å; A1242-L1354 HydrophobicContact CB-CG 4.42Å; I1245-L1354 HydrophobicContact CG1-CD1 4.08Å; I1344-L1354 HydrophobicContact CB-CB 4.18Å; I1344-L1354 HydrophobicContact CG2-CB 4.42Å; I1344-L1354 HydrophobicContact CG2-CD1 3.9Å; I1344-L1354 HydrophobicContact CG2-CG 4.41Å; I1344-L1354 PolarHBondContact O-N 2.84Å; D1346-L1354 HydrophobicContact CB-CD2 4.17Å; H1352-L1354 WeakPolarHBondContact CE1-CD2 3.33Å; H1352-L1354 WeakPolarHBondContact ND1-CD2 3.3Å |
| 1355 | T | 89 | Confident | 84.7 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 21.3 | 177.6 | 47 | 0 | 0 | 0 | 0 | 113.3 | I1238 F1342 I1344 N1353 G1357 L1358 | I1238-T1355 HydrophobicContact CD1-CG2 3.86Å; I1238-T1355 HydrophobicContact CG1-CG2 3.85Å; I1238-T1355 HydrophobicContact CG2-CG2 4.25Å; F1342-T1355 HydrophobicContact CD1-CG2 4.34Å; F1342-T1355 PolarHBondContact O-OG1 2.84Å; I1344-T1355 HydrophobicContact CD1-CG2 3.6Å; I1344-T1355 HydrophobicContact CG1-CG2 4.03Å; I1344-T1355 PolarHBondContact N-OG1 3.1Å; N1353-T1355 PolarHBondContact O-N 2.88Å; N1353-T1355 PolarHBondContact OD1-N 2.73Å; N1353-T1355 PolarHBondContact OD1-OG1 2.83Å; T1355-G1357 PolarHBondContact O-N 3.45Å; T1355-L1358 HydrophobicContact CG2-CD2 4.21Å; T1355-L1358 WeakPolarHBondContact O-CB 3.25Å; T1355-L1358 PolarHBondContact O-N 2.93Å; T1355-L1358 VanDerWaalsContact O-N 3.14Å |
| 1356 | A | 80.6 | Confident | 84.3 | Confident | 73 Ų | 73 | 27.6 Ų | 27.6 | 60% | 0.603 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1353 | N1353-A1356 HydrophobicContact CB-CB 4.23Å; N1353-A1356 WeakPolarHBondContact O-CB 3.49Å; N1353-A1356 PolarHBondContact O-N 3.33Å; N1353-A1356 VanDerWaalsContact O-N 3.12Å |
| 1357 | G | 74.2 | Confident | 84 | Confident | 69 Ų | 69 | 27.5 Ų | 27.5 | 71% | 0.711 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 19.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1355 G1359 | T1355-G1357 PolarHBondContact O-N 3.45Å; G1357-G1359 PolarHBondContact O-N 2.78Å |
| 1358 | L | 78.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | trans | -82.7 | 114 | -178.9 | 179.3 | 61.2 | 0 | 0 | 0 | 111.6 | G1236 I1238 F1342 T1355 M1362 F1363 I1366 | G1236-L1358 WeakPolarHBondContact O-CD1 3.03Å; I1238-L1358 HydrophobicContact CD1-CD2 3.9Å; I1238-L1358 HydrophobicContact CG1-CD1 4.08Å; I1238-L1358 HydrophobicContact CG1-CD2 4.06Å; F1342-L1358 HydrophobicContact CB-CD2 3.83Å; T1355-L1358 HydrophobicContact CG2-CD2 4.21Å; T1355-L1358 WeakPolarHBondContact O-CB 3.25Å; T1355-L1358 PolarHBondContact O-N 2.93Å; T1355-L1358 VanDerWaalsContact O-N 3.14Å; L1358-M1362 HydrophobicContact CD1-CB 4.16Å; L1358-M1362 HydrophobicContact CD1-CG 3.9Å; L1358-F1363 HydrophobicContact CD2-CB 4.17Å; L1358-F1363 HydrophobicContact CD2-CD2 3.86Å; L1358-F1363 HydrophobicContact CD2-CG 4.3Å; L1358-F1363 HydrophobicContact CG-CB 4.23Å; L1358-I1366 HydrophobicContact CD1-CD1 4Å | ||
| 1359 | G | 69.5 | Low | 83.5 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | trans | -75.4 | 155.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1084 G1357 M1362 F1363 | E1084-G1359 WeakPolarHBondContact OE2-CA 3.32Å; G1357-G1359 PolarHBondContact O-N 2.78Å; G1359-M1362 PolarHBondContact O-N 3.1Å; G1359-F1363 PolarHBondContact O-N 3.14Å | ||
| 1360 | H | 72.4 | Confident | 83.6 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -52.7 | -173.5 | -165.1 | 77.1 | 0 | 0 | 0 | 113.1 | T1085 L1341 M1362 F1363 L1364 | T1085-H1360 HydrophobicContact CG2-CB 3.94Å; L1341-H1360 VanDerWaalsContact CD1-CA 3.41Å; L1341-H1360 HydrophobicContact CD1-CB 3.74Å; H1360-M1362 PolarHBondContact O-N 3.4Å; H1360-F1363 PolarHBondContact O-N 3.07Å; H1360-L1364 PolarHBondContact O-N 3.49Å |
| 1361 | S | 72 | Confident | 83.5 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.3 | -28 | 178.4 | -39.9 | 0 | 0 | 0 | 0 | 112.4 | Y1365 | S1361-Y1365 VanDerWaalsContact O-CB 3.31Å; S1361-Y1365 WeakPolarHBondContact O-CB 3.32Å; S1361-Y1365 PolarHBondContact O-N 3.3Å |
| 1362 | M | 81.5 | Confident | 83.6 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.2 | -39.5 | 173.8 | -174.4 | 64.4 | 70.4 | 0 | 0 | 112.1 | I1230 G1236 L1358 G1359 H1360 Y1365 I1366 L1407 T1411 T1419 | I1230-M1362 HydrophobicContact CG2-SD 4.24Å; G1236-M1362 WeakPolarHBondContact O-CG 3.28Å; L1358-M1362 HydrophobicContact CD1-CB 4.16Å; L1358-M1362 HydrophobicContact CD1-CG 3.9Å; G1359-M1362 PolarHBondContact O-N 3.1Å; H1360-M1362 PolarHBondContact O-N 3.4Å; M1362-Y1365 PolarHBondContact O-N 2.95Å; M1362-Y1365 HydrophobicContact SD-CD1 4.37Å; M1362-I1366 HydrophobicContact CG-CD1 4.18Å; M1362-I1366 WeakPolarHBondContact O-CB 3.34Å; M1362-I1366 WeakPolarHBondContact O-CG1 3.22Å; M1362-I1366 PolarHBondContact O-N 3.16Å; M1362-L1407 HydrophobicContact CE-CD2 3.99Å; M1362-L1407 HydrophobicContact SD-CD2 4.33Å; M1362-T1411 HydrophobicContact CE-CG2 4.37Å; M1362-T1419 HydrophobicContact CE-CG2 4.17Å |
| 1363 | F | 84.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 18.5 Ų | 18.5 | 6% | 0.057 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 175 | -175.9 | -126.3 | 0 | 0 | 0 | 111.7 | H1318 L1341 F1342 L1358 G1359 H1360 I1366 L1367 | H1318-F1363 AromaticContact CD2-CE1 3.99Å; H1318-F1363 AromaticContact CD2-CZ 3.83Å; H1318-F1363 AromaticContact NE2-CE1 3.67Å; H1318-F1363 AromaticContact NE2-CZ 3.74Å; L1341-F1363 HydrophobicContact CB-CD1 4.33Å; F1342-F1363 HydrophobicContact CB-CD2 4.29Å; F1342-F1363 HydrophobicContact CB-CE2 3.93Å; F1342-F1363 HydrophobicContact CB-CZ 4.37Å; F1342-F1363 AromaticContact CD2-CE2 3.59Å; F1342-F1363 HydrophobicContact CD2-CE2 3.59Å; F1342-F1363 AromaticContact CD2-CZ 3.78Å; F1342-F1363 HydrophobicContact CD2-CZ 3.78Å; F1342-F1363 HydrophobicContact CE2-CE2 4.37Å; F1342-F1363 AromaticContact CG-CE2 3.97Å; F1342-F1363 HydrophobicContact CG-CE2 3.97Å; F1342-F1363 HydrophobicContact CG-CZ 4.46Å; L1358-F1363 HydrophobicContact CD2-CB 4.17Å; L1358-F1363 HydrophobicContact CD2-CD2 3.86Å; L1358-F1363 HydrophobicContact CD2-CG 4.3Å; L1358-F1363 HydrophobicContact CG-CB 4.23Å; G1359-F1363 PolarHBondContact O-N 3.14Å; H1360-F1363 PolarHBondContact O-N 3.07Å; F1363-I1366 WeakPolarHBondContact O-CB 3.43Å; F1363-I1366 PolarHBondContact O-N 2.86Å; F1363-L1367 HydrophobicContact CD1-CD1 4.38Å; F1363-L1367 HydrophobicContact CE1-CD1 3.98Å; F1363-L1367 HydrophobicContact CE2-CD1 4.45Å; F1363-L1367 HydrophobicContact CE2-CD2 4.4Å; F1363-L1367 HydrophobicContact CE2-CG 4.35Å; F1363-L1367 HydrophobicContact CZ-CD1 4.02Å; F1363-L1367 HydrophobicContact CZ-CD2 4.44Å; F1363-L1367 HydrophobicContact CZ-CG 4.38Å; F1363-L1367 WeakPolarHBondContact O-CG 3.24Å; F1363-L1367 PolarHBondContact O-N 3.39Å |
| 1364 | L | 80.7 | Confident | 83.7 | Confident | 25 Ų | 25 | 17.8 Ų | 17.8 | 13% | 0.131 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 172 | -62.1 | -174.7 | 0 | 0 | 0 | 112.3 | V1091 H1360 I1366 L1367 T1368 | V1091-L1364 HydrophobicContact CB-CD2 3.82Å; V1091-L1364 HydrophobicContact CG1-CD2 4.23Å; V1091-L1364 HydrophobicContact CG2-CD1 3.72Å; V1091-L1364 HydrophobicContact CG2-CD2 3.61Å; V1091-L1364 HydrophobicContact CG2-CG 4.3Å; H1360-L1364 PolarHBondContact O-N 3.49Å; L1364-I1366 VanDerWaalsContact C-N 3.3Å; L1364-I1366 PolarHBondContact O-N 3.02Å; L1364-L1367 PolarHBondContact O-N 3.21Å; L1364-T1368 PolarHBondContact O-N 2.75Å; L1364-T1368 PolarHBondContact O-OG1 3.04Å |
| 1365 | Y | 83.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 175.7 | -171.3 | -111.8 | 0 | 0 | 0 | 112 | I1230 S1361 M1362 T1368 V1369 V1402 L1406 L1407 | I1230-Y1365 HydrophobicContact CG2-CD1 3.66Å; I1230-Y1365 HydrophobicContact CG2-CE1 3.89Å; S1361-Y1365 VanDerWaalsContact O-CB 3.31Å; S1361-Y1365 WeakPolarHBondContact O-CB 3.32Å; S1361-Y1365 PolarHBondContact O-N 3.3Å; M1362-Y1365 PolarHBondContact O-N 2.95Å; M1362-Y1365 HydrophobicContact SD-CD1 4.37Å; Y1365-T1368 PolarHBondContact O-N 3.49Å; Y1365-V1369 HydrophobicContact CD1-CG2 4.41Å; Y1365-V1369 HydrophobicContact CE1-CG2 4.12Å; Y1365-V1369 WeakPolarHBondContact O-CB 3.35Å; Y1365-V1369 VanDerWaalsContact O-CG2 3.31Å; Y1365-V1369 WeakPolarHBondContact O-CG2 3.49Å; Y1365-V1369 PolarHBondContact O-N 3.43Å; Y1365-V1402 HydrophobicContact CE2-CB 3.92Å; Y1365-V1402 WeakPolarHBondContact CE2-O 3.33Å; Y1365-V1402 PolarHBondContact OH-O 3.06Å; Y1365-L1406 HydrophobicContact CD2-CB 4.28Å; Y1365-L1406 HydrophobicContact CD2-CD1 4.46Å; Y1365-L1407 HydrophobicContact CD1-CD1 4.47Å; Y1365-L1407 HydrophobicContact CD1-CD2 4.44Å; Y1365-L1407 HydrophobicContact CE1-CD1 4.44Å; Y1365-L1407 HydrophobicContact CG-CD2 4.29Å; Y1365-L1407 HydrophobicContact CG-CG 4.43Å |
| 1366 | I | 87.7 | Confident | 83.5 | Confident | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 172.1 | -80.6 | 164.8 | 0 | 0 | 0 | 111.6 | I1230 I1238 W1243 L1358 M1362 F1363 L1364 T1368 V1369 F1370 | I1230-I1366 HydrophobicContact CB-CD1 4.4Å; I1230-I1366 HydrophobicContact CB-CG1 3.8Å; I1230-I1366 HydrophobicContact CD1-CG1 4.08Å; I1230-I1366 HydrophobicContact CG1-CG1 4.45Å; I1230-I1366 HydrophobicContact CG2-CG1 3.79Å; I1238-I1366 HydrophobicContact CD1-CD1 3.8Å; I1238-I1366 HydrophobicContact CG1-CD1 3.77Å; W1243-I1366 HydrophobicContact CH2-CD1 4.09Å; W1243-I1366 HydrophobicContact CH2-CG1 4.08Å; W1243-I1366 HydrophobicContact CH2-CG2 3.73Å; W1243-I1366 HydrophobicContact CZ2-CD1 4.02Å; W1243-I1366 HydrophobicContact CZ2-CG1 4.16Å; L1358-I1366 HydrophobicContact CD1-CD1 4Å; M1362-I1366 HydrophobicContact CG-CD1 4.18Å; M1362-I1366 WeakPolarHBondContact O-CB 3.34Å; M1362-I1366 WeakPolarHBondContact O-CG1 3.22Å; M1362-I1366 PolarHBondContact O-N 3.16Å; F1363-I1366 WeakPolarHBondContact O-CB 3.43Å; F1363-I1366 PolarHBondContact O-N 2.86Å; L1364-I1366 VanDerWaalsContact C-N 3.3Å; L1364-I1366 PolarHBondContact O-N 3.02Å; I1366-T1368 VanDerWaalsContact C-N 3.34Å; I1366-T1368 PolarHBondContact O-N 2.86Å; I1366-V1369 PolarHBondContact O-N 2.84Å; I1366-F1370 HydrophobicContact CG2-CD1 4.42Å; I1366-F1370 WeakPolarHBondContact O-CD1 3.46Å; I1366-F1370 PolarHBondContact O-N 2.9Å |
| 1367 | L | 88.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 16 Ų | 16 | 5% | 0.047 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 179 | -66.2 | 174.5 | 0 | 0 | 0 | 111.3 | W1096 L1313 F1363 L1364 V1369 F1370 H1371 | W1096-L1367 HydrophobicContact CD2-CB 4.37Å; W1096-L1367 HydrophobicContact CD2-CD1 4.42Å; W1096-L1367 HydrophobicContact CE3-CB 4.37Å; W1096-L1367 HydrophobicContact CH2-CB 3.59Å; W1096-L1367 HydrophobicContact CZ2-CB 3.51Å; W1096-L1367 HydrophobicContact CZ2-CD1 4.16Å; W1096-L1367 HydrophobicContact CZ3-CB 4.01Å; L1313-L1367 HydrophobicContact CD2-CB 4.49Å; L1313-L1367 HydrophobicContact CD2-CD2 4.28Å; L1313-L1367 WeakPolarHBondContact CD2-O 3.27Å; F1363-L1367 HydrophobicContact CD1-CD1 4.38Å; F1363-L1367 HydrophobicContact CE1-CD1 3.98Å; F1363-L1367 HydrophobicContact CE2-CD1 4.45Å; F1363-L1367 HydrophobicContact CE2-CD2 4.4Å; F1363-L1367 HydrophobicContact CE2-CG 4.35Å; F1363-L1367 HydrophobicContact CZ-CD1 4.02Å; F1363-L1367 HydrophobicContact CZ-CD2 4.44Å; F1363-L1367 HydrophobicContact CZ-CG 4.38Å; F1363-L1367 WeakPolarHBondContact O-CG 3.24Å; F1363-L1367 PolarHBondContact O-N 3.39Å; L1364-L1367 PolarHBondContact O-N 3.21Å; L1367-V1369 PolarHBondContact O-N 2.97Å; L1367-F1370 PolarHBondContact O-N 2.96Å; L1367-H1371 WeakPolarHBondContact O-CB 3.44Å; L1367-H1371 PolarHBondContact O-N 2.86Å |
| 1368 | T | 86 | Confident | 84.5 | Confident | 32 Ų | 32 | 12.9 Ų | 12.9 | 20% | 0.196 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 177.4 | -38.1 | 0 | 0 | 0 | 0 | 111.6 | L1364 Y1365 I1366 T1372 V1402 | L1364-T1368 PolarHBondContact O-N 2.75Å; L1364-T1368 PolarHBondContact O-OG1 3.04Å; Y1365-T1368 PolarHBondContact O-N 3.49Å; I1366-T1368 VanDerWaalsContact C-N 3.34Å; I1366-T1368 PolarHBondContact O-N 2.86Å; T1368-T1372 VanDerWaalsContact O-CB 3.31Å; T1368-T1372 WeakPolarHBondContact O-CB 3.31Å; T1368-T1372 PolarHBondContact O-N 3.47Å; T1368-T1372 PolarHBondContact O-OG1 2.99Å; T1368-V1402 HydrophobicContact CG2-CB 4.5Å; T1368-V1402 HydrophobicContact CG2-CG1 3.75Å; T1368-V1402 HydrophobicContact CG2-CG2 4.05Å |
| 1369 | V | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 171.2 | 162.2 | 0 | 0 | 0 | 0 | 110.9 | V1224 T1228 I1230 Y1365 I1366 L1367 H1371 T1372 V1373 V1402 | V1224-V1369 HydrophobicContact CG1-CG1 4.15Å; T1228-V1369 HydrophobicContact CG2-CB 4.48Å; T1228-V1369 HydrophobicContact CG2-CG1 3.74Å; T1228-V1369 HydrophobicContact CG2-CG2 3.84Å; I1230-V1369 HydrophobicContact CD1-CB 4.49Å; I1230-V1369 HydrophobicContact CD1-CG1 3.95Å; Y1365-V1369 HydrophobicContact CD1-CG2 4.41Å; Y1365-V1369 HydrophobicContact CE1-CG2 4.12Å; Y1365-V1369 WeakPolarHBondContact O-CB 3.35Å; Y1365-V1369 VanDerWaalsContact O-CG2 3.31Å; Y1365-V1369 WeakPolarHBondContact O-CG2 3.49Å; Y1365-V1369 PolarHBondContact O-N 3.43Å; I1366-V1369 PolarHBondContact O-N 2.84Å; L1367-V1369 PolarHBondContact O-N 2.97Å; V1369-H1371 VanDerWaalsContact C-N 3.32Å; V1369-H1371 PolarHBondContact O-N 2.82Å; V1369-T1372 PolarHBondContact O-N 2.91Å; V1369-V1373 HydrophobicContact CG1-CG2 4.23Å; V1369-V1373 WeakPolarHBondContact O-CB 3.44Å; V1369-V1373 WeakPolarHBondContact O-CG2 3.37Å; V1369-V1373 PolarHBondContact O-N 2.91Å; V1369-V1402 HydrophobicContact CG2-CG2 4.23Å |
| 1370 | F | 91 | Very high | 84.8 | Confident | 3 Ų | 3 | 17.1 Ų | 17.1 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 179 | -91.7 | 47.3 | 0 | 0 | 0 | 111.5 | L1221 I1230 W1243 F1308 L1309 L1313 I1366 L1367 L1374 | L1221-F1370 HydrophobicContact CD1-CZ 4.32Å; I1230-F1370 HydrophobicContact CD1-CE1 4.4Å; W1243-F1370 HydrophobicContact CE3-CE1 4.44Å; W1243-F1370 HydrophobicContact CE3-CZ 4.08Å; W1243-F1370 AromaticContact CH2-CE1 3.73Å; W1243-F1370 HydrophobicContact CH2-CE1 3.73Å; W1243-F1370 HydrophobicContact CH2-CZ 4.04Å; W1243-F1370 AromaticContact CZ3-CE1 3.55Å; W1243-F1370 HydrophobicContact CZ3-CE1 3.55Å; W1243-F1370 HydrophobicContact CZ3-CE2 4.45Å; W1243-F1370 AromaticContact CZ3-CZ 3.36Å; W1243-F1370 HydrophobicContact CZ3-CZ 3.36Å; F1308-F1370 HydrophobicContact CD1-CE2 4.44Å; F1308-F1370 AromaticContact CE1-CE2 3.59Å; F1308-F1370 HydrophobicContact CE1-CE2 3.59Å; F1308-F1370 AromaticContact CE1-CZ 3.7Å; F1308-F1370 HydrophobicContact CE1-CZ 3.7Å; F1308-F1370 AromaticContact CZ-CE2 3.86Å; F1308-F1370 HydrophobicContact CZ-CE2 3.86Å; F1308-F1370 AromaticContact CZ-CZ 3.87Å; F1308-F1370 HydrophobicContact CZ-CZ 3.87Å; L1309-F1370 HydrophobicContact CD2-CB 4.37Å; L1309-F1370 HydrophobicContact CD2-CD1 4.37Å; L1309-F1370 HydrophobicContact CD2-CD2 3.67Å; L1309-F1370 HydrophobicContact CD2-CE2 3.92Å; L1309-F1370 HydrophobicContact CD2-CG 3.9Å; L1309-F1370 HydrophobicContact CD2-CZ 4.35Å; L1313-F1370 HydrophobicContact CD1-CB 4.18Å; L1313-F1370 HydrophobicContact CD2-CB 3.84Å; L1313-F1370 HydrophobicContact CG-CB 3.99Å; I1366-F1370 HydrophobicContact CG2-CD1 4.42Å; I1366-F1370 WeakPolarHBondContact O-CD1 3.46Å; I1366-F1370 PolarHBondContact O-N 2.9Å; L1367-F1370 PolarHBondContact O-N 2.96Å; F1370-L1374 VanDerWaalsContact O-CB 3.32Å; F1370-L1374 WeakPolarHBondContact O-CB 3.38Å; F1370-L1374 PolarHBondContact O-N 3.02Å |
| 1371 | H | 89 | Confident | 84.6 | Confident | 29 Ų | 29 | 21 Ų | 21 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 177.1 | -174.4 | -107.3 | 0 | 0 | 0 | 112.5 | W1096 T1103 L1313 L1367 V1369 V1373 L1374 V1375 | W1096-H1371 HydrophobicContact CZ3-CB 4.08Å; T1103-H1371 PolarHBondContact OG1-NE2 2.93Å; L1313-H1371 HydrophobicContact CD1-CB 4.21Å; L1313-H1371 HydrophobicContact CD2-CB 4.11Å; L1367-H1371 WeakPolarHBondContact O-CB 3.44Å; L1367-H1371 PolarHBondContact O-N 2.86Å; V1369-H1371 VanDerWaalsContact C-N 3.32Å; V1369-H1371 PolarHBondContact O-N 2.82Å; H1371-V1373 PolarHBondContact O-N 3.42Å; H1371-L1374 PolarHBondContact O-N 2.71Å; H1371-V1375 WeakPolarHBondContact O-CG2 3.47Å; H1371-V1375 PolarHBondContact O-N 3.33Å |
| 1372 | T | 88.6 | Confident | 84.1 | Confident | 37 Ų | 37 | 21 Ų | 21 | 23% | 0.227 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | T1368 V1369 V1375 H1376 Y1399 V1402 | T1368-T1372 VanDerWaalsContact O-CB 3.31Å; T1368-T1372 WeakPolarHBondContact O-CB 3.31Å; T1368-T1372 PolarHBondContact O-N 3.47Å; T1368-T1372 PolarHBondContact O-OG1 2.99Å; V1369-T1372 PolarHBondContact O-N 2.91Å; T1372-V1375 PolarHBondContact O-N 3.08Å; T1372-H1376 VanDerWaalsContact O-CB 3.3Å; T1372-H1376 WeakPolarHBondContact O-CB 3.34Å; T1372-H1376 PolarHBondContact O-N 3.27Å; T1372-Y1399 WeakPolarHBondContact CG2-O 3.43Å; T1372-V1402 HydrophobicContact CG2-CG2 4.39Å; T1372-V1402 WeakPolarHBondContact OG1-CG2 3.41Å |
| 1373 | V | 90.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | V1224 W1305 L1309 V1369 H1371 H1376 H1377 I1400 | V1224-V1373 HydrophobicContact CG1-CG2 3.89Å; V1224-V1373 HydrophobicContact CG2-CG1 4.41Å; W1305-V1373 HydrophobicContact CZ2-CG1 3.9Å; L1309-V1373 HydrophobicContact CD1-CB 4.25Å; L1309-V1373 HydrophobicContact CD1-CG1 3.63Å; L1309-V1373 HydrophobicContact CD2-CG1 4.49Å; V1369-V1373 HydrophobicContact CG1-CG2 4.23Å; V1369-V1373 WeakPolarHBondContact O-CB 3.44Å; V1369-V1373 WeakPolarHBondContact O-CG2 3.37Å; V1369-V1373 PolarHBondContact O-N 2.91Å; H1371-V1373 PolarHBondContact O-N 3.42Å; V1373-H1376 PolarHBondContact O-N 3.14Å; V1373-H1377 VanDerWaalsContact O-CB 3.31Å; V1373-H1377 WeakPolarHBondContact O-CB 3.41Å; V1373-H1377 PolarHBondContact O-CD2 3.27Å; V1373-H1377 PolarHBondContact O-N 3.18Å; V1373-I1400 HydrophobicContact CG2-CD1 4.37Å; V1373-I1400 HydrophobicContact CG2-CG1 4.26Å; V1373-I1400 HydrophobicContact CG2-CG2 3.58Å |
| 1374 | L | 91.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -50.8 | 177 | 178.9 | 58.1 | 0 | 0 | 0 | 111.1 | T1103 W1105 L1306 L1309 R1310 L1313 F1314 F1370 H1371 H1377 T1378 | T1103-L1374 HydrophobicContact CG2-CD2 3.74Å; T1103-L1374 HydrophobicContact CG2-CG 3.98Å; W1105-L1374 HydrophobicContact CZ3-CD1 4.38Å; L1306-L1374 HydrophobicContact CB-CD1 4.27Å; L1306-L1374 HydrophobicContact CD2-CD1 3.91Å; L1309-L1374 HydrophobicContact CB-CB 4.19Å; L1309-L1374 HydrophobicContact CB-CD1 4.31Å; L1309-L1374 HydrophobicContact CD1-CB 4.19Å; R1310-L1374 HydrophobicContact CB-CD2 4.24Å; L1313-L1374 HydrophobicContact CD1-CB 4.31Å; L1313-L1374 HydrophobicContact CD1-CD2 3.68Å; F1314-L1374 HydrophobicContact CE2-CD2 3.93Å; F1370-L1374 VanDerWaalsContact O-CB 3.32Å; F1370-L1374 WeakPolarHBondContact O-CB 3.38Å; F1370-L1374 PolarHBondContact O-N 3.02Å; H1371-L1374 PolarHBondContact O-N 2.71Å; L1374-H1377 PolarHBondContact O-N 2.94Å; L1374-T1378 HydrophobicContact CD1-CG2 4.02Å; L1374-T1378 WeakPolarHBondContact O-CG2 3.35Å; L1374-T1378 PolarHBondContact O-N 2.79Å; L1374-T1378 PolarHBondContact O-OG1 2.8Å; L1374-T1378 VanDerWaalsContact O-OG1 3.13Å |
| 1375 | V | 87.5 | Confident | 80.7 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 24% | 0.242 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | T1103 H1371 T1372 T1378 T1379 | T1103-V1375 HydrophobicContact CG2-CG2 4.26Å; H1371-V1375 WeakPolarHBondContact O-CG2 3.47Å; H1371-V1375 PolarHBondContact O-N 3.33Å; T1372-V1375 PolarHBondContact O-N 3.08Å; V1375-T1378 PolarHBondContact O-N 3.02Å; V1375-T1378 PolarHBondContact O-OG1 2.84Å; V1375-T1379 HydrophobicContact CG1-CG2 4.42Å; V1375-T1379 WeakPolarHBondContact O-CB 3.5Å; V1375-T1379 VanDerWaalsContact O-CG2 3.31Å; V1375-T1379 WeakPolarHBondContact O-CG2 3.47Å; V1375-T1379 PolarHBondContact O-N 3.26Å; V1375-T1379 VanDerWaalsContact O-N 3.12Å; V1375-T1379 PolarHBondContact O-OG1 2.86Å |
| 1376 | H | 87.3 | Confident | 79.9 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.9 | -175.5 | 57.8 | 0 | 0 | 0 | 111.1 | T1372 V1373 T1378 T1379 F1380 H1393 Y1399 | T1372-H1376 VanDerWaalsContact O-CB 3.3Å; T1372-H1376 WeakPolarHBondContact O-CB 3.34Å; T1372-H1376 PolarHBondContact O-N 3.27Å; V1373-H1376 PolarHBondContact O-N 3.14Å; H1376-T1378 PolarHBondContact O-N 3.19Å; H1376-T1379 PolarHBondContact O-N 3.05Å; H1376-T1379 PolarHBondContact O-OG1 2.79Å; H1376-F1380 WeakPolarHBondContact O-CB 3.37Å; H1376-F1380 PolarHBondContact O-N 3.27Å; H1376-H1393 PolarHBondContact NE2-O 2.78Å; H1376-Y1399 AromaticContact CE1-CD2 3.6Å; H1376-Y1399 AromaticContact CE1-CG 3.66Å |
| 1377 | H | 89.6 | Confident | 78.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.2 | -19.8 | -177.9 | -68.9 | -134.1 | 0 | 0 | 0 | 113.5 | L1115 W1305 L1306 V1373 L1374 L1394 | L1115-H1377 HydrophobicContact CD2-CB 4.3Å; W1305-H1377 AromaticContact CD1-ND1 3.75Å; W1305-H1377 AromaticContact NE1-CE1 3.6Å; W1305-H1377 AromaticContact NE1-CG 3.9Å; W1305-H1377 AromaticContact NE1-ND1 3.16Å; W1305-H1377 PolarHBondContact NE1-ND1 3.4Å; W1305-H1377 VanDerWaalsContact NE1-ND1 3.16Å; L1306-H1377 HydrophobicContact CD2-CB 3.64Å; V1373-H1377 VanDerWaalsContact O-CB 3.31Å; V1373-H1377 WeakPolarHBondContact O-CB 3.41Å; V1373-H1377 PolarHBondContact O-CD2 3.27Å; V1373-H1377 PolarHBondContact O-N 3.18Å; L1374-H1377 PolarHBondContact O-N 2.94Å; H1377-L1394 PolarHBondContact NE2-O 2.83Å |
| 1378 | T | 86 | Confident | 77.3 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -91.3 | -6 | 170.1 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | P1104 P1107 Q1111 L1306 L1374 V1375 H1376 | P1104-T1378 PolarHBondContact O-OG1 3.29Å; P1107-T1378 HydrophobicContact CB-CG2 4.23Å; Q1111-T1378 PolarHBondContact NE2-O 3.22Å; Q1111-T1378 PolarHBondContact OE1-O 3.13Å; L1306-T1378 HydrophobicContact CD1-CG2 4.06Å; L1306-T1378 HydrophobicContact CD2-CG2 3.81Å; L1306-T1378 HydrophobicContact CG-CG2 4.47Å; L1374-T1378 HydrophobicContact CD1-CG2 4.02Å; L1374-T1378 WeakPolarHBondContact O-CG2 3.35Å; L1374-T1378 PolarHBondContact O-N 2.79Å; L1374-T1378 PolarHBondContact O-OG1 2.8Å; L1374-T1378 VanDerWaalsContact O-OG1 3.13Å; V1375-T1378 PolarHBondContact O-N 3.02Å; V1375-T1378 PolarHBondContact O-OG1 2.84Å; H1376-T1378 PolarHBondContact O-N 3.19Å |
| 1379 | T | 80 | Confident | 76.4 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -111 | -22.4 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 114 | P1104 V1375 H1376 L1381 | P1104-T1379 HydrophobicContact CG-CG2 3.82Å; V1375-T1379 HydrophobicContact CG1-CG2 4.42Å; V1375-T1379 WeakPolarHBondContact O-CB 3.5Å; V1375-T1379 VanDerWaalsContact O-CG2 3.31Å; V1375-T1379 WeakPolarHBondContact O-CG2 3.47Å; V1375-T1379 PolarHBondContact O-N 3.26Å; V1375-T1379 VanDerWaalsContact O-N 3.12Å; V1375-T1379 PolarHBondContact O-OG1 2.86Å; H1376-T1379 PolarHBondContact O-N 3.05Å; H1376-T1379 PolarHBondContact O-OG1 2.79Å; T1379-L1381 PolarHBondContact O-N 3.27Å; T1379-L1381 VanDerWaalsContact O-N 3.08Å |
| 1380 | F | 74.9 | Confident | 75.4 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | trans | -65 | 106.9 | -177.9 | -172.5 | -112.1 | 0 | 0 | 0 | 112.6 | H1376 P1382 M1385 W1390 H1393 L1394 | H1376-F1380 WeakPolarHBondContact O-CB 3.37Å; H1376-F1380 PolarHBondContact O-N 3.27Å; F1380-P1382 HydrophobicContact CD1-CB 4.15Å; F1380-P1382 HydrophobicContact CE1-CB 3.66Å; F1380-P1382 HydrophobicContact CZ-CB 4.14Å; F1380-M1385 HydrophobicContact CE2-SD 4.44Å; F1380-M1385 HydrophobicContact CZ-CE 4.44Å; F1380-M1385 HydrophobicContact CZ-SD 3.9Å; F1380-W1390 AromaticContact CE1-CE3 3.74Å; F1380-W1390 HydrophobicContact CE1-CE3 3.74Å; F1380-W1390 HydrophobicContact CE1-CZ3 4.1Å; F1380-W1390 HydrophobicContact CZ-CE3 4.49Å; F1380-H1393 HydrophobicContact CE2-CB 3.78Å; F1380-H1393 HydrophobicContact CZ-CB 3.81Å; F1380-L1394 HydrophobicContact CD1-CD1 4.27Å | ||
| 1381 | L | 67.1 | Low | 74.3 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | trans | -105.9 | 108.7 | 176.4 | -82.6 | 170.7 | 0 | 0 | 0 | 110.9 | Q1111 T1379 K1383 | Q1111-L1381 HydrophobicContact CG-CD2 3.71Å; Q1111-L1381 HydrophobicContact CG-CG 4.43Å; T1379-L1381 PolarHBondContact O-N 3.27Å; T1379-L1381 VanDerWaalsContact O-N 3.08Å; L1381-K1383 PolarHBondContact O-N 3.21Å | ||
| 1382 | P | 61.1 | Low | 73.4 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | trans | -106 | 61.3 | -156.7 | 40 | -37.5 | 0 | 0 | 0 | 113.8 | N1114 F1380 Q1384 W1390 | N1114-P1382 HydrophobicContact CB-CG 3.75Å; F1380-P1382 HydrophobicContact CD1-CB 4.15Å; F1380-P1382 HydrophobicContact CE1-CB 3.66Å; F1380-P1382 HydrophobicContact CZ-CB 4.14Å; P1382-Q1384 PolarHBondContact O-N 3.2Å; P1382-Q1384 VanDerWaalsContact O-N 3.09Å; P1382-W1390 HydrophobicContact CB-CD2 4.27Å; P1382-W1390 HydrophobicContact CB-CE3 3.68Å; P1382-W1390 HydrophobicContact CB-CH2 3.27Å; P1382-W1390 HydrophobicContact CB-CZ2 3.79Å; P1382-W1390 HydrophobicContact CB-CZ3 3.15Å; P1382-W1390 HydrophobicContact CG-CE3 4.21Å; P1382-W1390 HydrophobicContact CG-CH2 3.05Å; P1382-W1390 HydrophobicContact CG-CZ2 3.93Å; P1382-W1390 HydrophobicContact CG-CZ3 3.19Å | ||
| 1383 | K | 54.3 | Low | 72.8 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 59% | 0.591 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 102.8 | -174 | -52.7 | -156.5 | -176.9 | -151.7 | 0 | 110.5 | E1110 L1381 | E1110-K1383 WeakPolarHBondContact OE1-CE 3.24Å; E1110-K1383 IonicContact OE1-NZ 3.56Å; E1110-K1383 PolarHBondContact OE1-NZ 2.81Å; E1110-K1383 IonicContact OE2-NZ 3.51Å; E1110-K1383 PolarHBondContact OE2-NZ 3.03Å; L1381-K1383 PolarHBondContact O-N 3.21Å |
| 1384 | Q | 56.1 | Low | 72.3 | Confident | 197 Ų | 197 | 55.6 Ų | 55.6 | 92% | 0.921 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 69.4 | 174.7 | -53.2 | 178.7 | 0.5 | 0 | 0 | 116.6 | P1382 | P1382-Q1384 PolarHBondContact O-N 3.2Å; P1382-Q1384 VanDerWaalsContact O-N 3.09Å |
| 1385 | M | 66.4 | Low | 71.8 | Confident | 54 Ų | 54 | 56 Ų | 56 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | trans | -123.8 | 154.7 | 173.1 | -59.1 | 177 | 76.9 | 0 | 0 | 111.7 | F1380 Q1389 W1390 H1393 | F1380-M1385 HydrophobicContact CE2-SD 4.44Å; F1380-M1385 HydrophobicContact CZ-CE 4.44Å; F1380-M1385 HydrophobicContact CZ-SD 3.9Å; M1385-Q1389 HydrophobicContact CB-CB 4.38Å; M1385-Q1389 HydrophobicContact CE-CB 4.03Å; M1385-W1390 HydrophobicContact CB-CD2 4.44Å; M1385-W1390 HydrophobicContact CB-CG 4.23Å; M1385-W1390 VanDerWaalsContact O-CD1 3.31Å; M1385-W1390 PolarHBondContact O-NE1 2.87Å; M1385-H1393 HydrophobicContact CE-CB 4.2Å; M1385-H1393 WeakPolarHBondContact CE-CD2 3.35Å | ||
| 1386 | S | 65.7 | Low | 71.2 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -90.9 | 150 | 174.2 | 70.7 | 0 | 0 | 0 | 0 | 112 | N1388 Q1389 W1390 | S1386-N1388 PolarHBondContact O-N 2.93Å; S1386-Q1389 WeakPolarHBondContact O-CA 3.47Å; S1386-Q1389 WeakPolarHBondContact O-CB 3.39Å; S1386-Q1389 PolarHBondContact O-N 2.89Å; S1386-Q1389 PolarHBondContact OG-OE1 2.93Å; S1386-W1390 VanDerWaalsContact C-CD1 3.45Å; S1386-W1390 VanDerWaalsContact O-CD1 3.26Å; S1386-W1390 PolarHBondContact O-N 3.04Å | ||
| 1387 | I | 58.2 | Low | 70.4 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -47.7 | -34.9 | -169.6 | -166.6 | 170.2 | 0 | 0 | 0 | 114.9 | C1121 W1390 Y1391 | C1121-I1387 HydrophobicContact CB-CD1 3.82Å; C1121-I1387 HydrophobicContact CB-CG1 4.15Å; I1387-W1390 PolarHBondContact O-N 3.11Å; I1387-Y1391 PolarHBondContact O-N 2.88Å |
| 1388 | N | 63.8 | Low | 69.4 | Low | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.1 | -34.5 | 176.7 | -61.1 | -56.9 | 0 | 0 | 0 | 113.1 | S1386 Y1392 | S1386-N1388 PolarHBondContact O-N 2.93Å; N1388-Y1392 WeakPolarHBondContact O-CB 3.44Å; N1388-Y1392 PolarHBondContact O-N 3.27Å |
| 1389 | Q | 67.8 | Low | 68.8 | Low | 98 Ų | 98 | 66.8 Ų | 66.8 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 172.9 | -63.3 | 165.6 | -65.1 | 0 | 0 | 110.7 | M1385 S1386 Y1392 H1393 | M1385-Q1389 HydrophobicContact CB-CB 4.38Å; M1385-Q1389 HydrophobicContact CE-CB 4.03Å; S1386-Q1389 WeakPolarHBondContact O-CA 3.47Å; S1386-Q1389 WeakPolarHBondContact O-CB 3.39Å; S1386-Q1389 PolarHBondContact O-N 2.89Å; S1386-Q1389 PolarHBondContact OG-OE1 2.93Å; Q1389-Y1392 PolarHBondContact O-N 3.07Å; Q1389-H1393 PolarHBondContact O-CD2 3.4Å; Q1389-H1393 VanDerWaalsContact O-CD2 3.29Å; Q1389-H1393 PolarHBondContact O-N 3.22Å |
| 1390 | W | 67 | Low | 68.8 | Low | 32 Ų | 32 | 63.4 Ų | 63.4 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 172.1 | -75.1 | 97.1 | 0 | 0 | 0 | 111.6 | N1114 C1118 F1380 P1382 M1385 S1386 I1387 Y1392 H1393 L1394 | N1114-W1390 HydrophobicContact CB-CH2 4.03Å; N1114-W1390 HydrophobicContact CB-CZ3 4.34Å; N1114-W1390 WeakPolarHBondContact OD1-CH2 3.24Å; C1118-W1390 WeakPolarHBondContact SG-CZ3 3.49Å; F1380-W1390 AromaticContact CE1-CE3 3.74Å; F1380-W1390 HydrophobicContact CE1-CE3 3.74Å; F1380-W1390 HydrophobicContact CE1-CZ3 4.1Å; F1380-W1390 HydrophobicContact CZ-CE3 4.49Å; P1382-W1390 HydrophobicContact CB-CD2 4.27Å; P1382-W1390 HydrophobicContact CB-CE3 3.68Å; P1382-W1390 HydrophobicContact CB-CH2 3.27Å; P1382-W1390 HydrophobicContact CB-CZ2 3.79Å; P1382-W1390 HydrophobicContact CB-CZ3 3.15Å; P1382-W1390 HydrophobicContact CG-CE3 4.21Å; P1382-W1390 HydrophobicContact CG-CH2 3.05Å; P1382-W1390 HydrophobicContact CG-CZ2 3.93Å; P1382-W1390 HydrophobicContact CG-CZ3 3.19Å; M1385-W1390 HydrophobicContact CB-CD2 4.44Å; M1385-W1390 HydrophobicContact CB-CG 4.23Å; M1385-W1390 VanDerWaalsContact O-CD1 3.31Å; M1385-W1390 PolarHBondContact O-NE1 2.87Å; S1386-W1390 VanDerWaalsContact C-CD1 3.45Å; S1386-W1390 VanDerWaalsContact O-CD1 3.26Å; S1386-W1390 PolarHBondContact O-N 3.04Å; I1387-W1390 PolarHBondContact O-N 3.11Å; W1390-Y1392 VanDerWaalsContact C-N 3.34Å; W1390-Y1392 PolarHBondContact O-N 3.15Å; W1390-H1393 PolarHBondContact O-N 2.89Å; W1390-L1394 VanDerWaalsContact O-CB 3.24Å; W1390-L1394 WeakPolarHBondContact O-CB 3.41Å; W1390-L1394 PolarHBondContact O-N 3.14Å |
| 1391 | Y | 67.1 | Low | 68.5 | Low | 44 Ų | 44 | 63.4 Ų | 63.4 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 175.7 | 178.2 | -109 | 0 | 0 | 0 | 112.1 | L1122 T1223 I1387 F1395 | L1122-Y1391 HydrophobicContact CD1-CD2 3.78Å; L1122-Y1391 HydrophobicContact CD1-CE2 3.5Å; L1122-Y1391 VanDerWaalsContact CD1-CE2 3.5Å; T1223-Y1391 HydrophobicContact CG2-CE2 4.2Å; I1387-Y1391 PolarHBondContact O-N 2.88Å; Y1391-F1395 AromaticContact CD2-CD2 3.81Å; Y1391-F1395 HydrophobicContact CD2-CD2 3.81Å; Y1391-F1395 HydrophobicContact CD2-CE2 4.49Å; Y1391-F1395 HydrophobicContact CE2-CB 4.48Å; Y1391-F1395 AromaticContact CE2-CD2 3.98Å; Y1391-F1395 HydrophobicContact CE2-CD2 3.98Å; Y1391-F1395 HydrophobicContact CE2-CG 4.47Å; Y1391-F1395 PolarHBondContact O-N 3.46Å; Y1391-F1395 VanDerWaalsContact O-N 3.13Å |
| 1392 | Y | 71.1 | Confident | 68.3 | Low | 75 Ų | 75 | 60.4 Ų | 60.4 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 178 | -176 | -87 | 0 | 0 | 0 | 112.3 | N1388 Q1389 W1390 S1396 E1398 I1447 | N1388-Y1392 WeakPolarHBondContact O-CB 3.44Å; N1388-Y1392 PolarHBondContact O-N 3.27Å; Q1389-Y1392 PolarHBondContact O-N 3.07Å; W1390-Y1392 VanDerWaalsContact C-N 3.34Å; W1390-Y1392 PolarHBondContact O-N 3.15Å; Y1392-S1396 WeakPolarHBondContact O-CA 3.36Å; Y1392-S1396 WeakPolarHBondContact O-CB 3.34Å; Y1392-S1396 PolarHBondContact O-N 3.21Å; Y1392-E1398 PolarHBondContact OH-OE2 3.22Å; Y1392-I1447 HydrophobicContact CD2-CD1 4.04Å; Y1392-I1447 HydrophobicContact CD2-CG2 4.43Å; Y1392-I1447 HydrophobicContact CE2-CD1 4.18Å |
| 1393 | H | 75.5 | Confident | 68.1 | Low | 56 Ų | 56 | 64.1 Ų | 64.1 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -77.3 | -43.9 | -177 | -81.3 | -98 | 0 | 0 | 0 | 113.1 | H1376 F1380 M1385 Q1389 W1390 F1395 S1396 Y1399 | H1376-H1393 PolarHBondContact NE2-O 2.78Å; F1380-H1393 HydrophobicContact CE2-CB 3.78Å; F1380-H1393 HydrophobicContact CZ-CB 3.81Å; M1385-H1393 HydrophobicContact CE-CB 4.2Å; M1385-H1393 WeakPolarHBondContact CE-CD2 3.35Å; Q1389-H1393 PolarHBondContact O-CD2 3.4Å; Q1389-H1393 VanDerWaalsContact O-CD2 3.29Å; Q1389-H1393 PolarHBondContact O-N 3.22Å; W1390-H1393 PolarHBondContact O-N 2.89Å; H1393-F1395 VanDerWaalsContact C-N 3.26Å; H1393-F1395 PolarHBondContact O-N 3.18Å; H1393-S1396 PolarHBondContact O-N 3.26Å; H1393-Y1399 AromaticContact ND1-CE2 3.85Å |
| 1394 | L | 80.4 | Confident | 68.3 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -29.4 | -178.4 | -170.9 | 62.8 | 0 | 0 | 0 | 112 | L1115 C1118 H1377 F1380 W1390 I1400 | L1115-L1394 HydrophobicContact CD1-CD1 4.19Å; L1115-L1394 HydrophobicContact CD1-CD2 3.95Å; C1118-L1394 HydrophobicContact CB-CD2 3.57Å; H1377-L1394 PolarHBondContact NE2-O 2.83Å; F1380-L1394 HydrophobicContact CD1-CD1 4.27Å; W1390-L1394 VanDerWaalsContact O-CB 3.24Å; W1390-L1394 WeakPolarHBondContact O-CB 3.41Å; W1390-L1394 PolarHBondContact O-N 3.14Å; L1394-I1400 VanDerWaalsContact O-CD1 3.3Å; L1394-I1400 WeakPolarHBondContact O-CD1 3.47Å |
| 1395 | F | 81.1 | Confident | 68 | Low | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 24.9 | 177.4 | -61.2 | -76.3 | 0 | 0 | 0 | 113.6 | L1119 L1122 T1223 V1224 I1227 Y1391 H1393 | L1119-F1395 HydrophobicContact CD2-CZ 4.23Å; L1122-F1395 HydrophobicContact CD2-CE2 3.73Å; L1122-F1395 HydrophobicContact CD2-CZ 3.72Å; T1223-F1395 HydrophobicContact CG2-CB 4.36Å; T1223-F1395 HydrophobicContact CG2-CD1 3.9Å; T1223-F1395 HydrophobicContact CG2-CD2 4.48Å; T1223-F1395 HydrophobicContact CG2-CE1 4.35Å; T1223-F1395 HydrophobicContact CG2-CG 3.98Å; V1224-F1395 HydrophobicContact CG2-CD1 3.98Å; V1224-F1395 HydrophobicContact CG2-CE1 3.78Å; I1227-F1395 HydrophobicContact CD1-CB 3.88Å; Y1391-F1395 AromaticContact CD2-CD2 3.81Å; Y1391-F1395 HydrophobicContact CD2-CD2 3.81Å; Y1391-F1395 HydrophobicContact CD2-CE2 4.49Å; Y1391-F1395 HydrophobicContact CE2-CB 4.48Å; Y1391-F1395 AromaticContact CE2-CD2 3.98Å; Y1391-F1395 HydrophobicContact CE2-CD2 3.98Å; Y1391-F1395 HydrophobicContact CE2-CG 4.47Å; Y1391-F1395 PolarHBondContact O-N 3.46Å; Y1391-F1395 VanDerWaalsContact O-N 3.13Å; H1393-F1395 VanDerWaalsContact C-N 3.26Å; H1393-F1395 PolarHBondContact O-N 3.18Å |
| 1396 | S | 75.7 | Confident | 67.2 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | trans | -63 | 131.7 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | Y1392 H1393 E1398 Y1399 I1400 | Y1392-S1396 WeakPolarHBondContact O-CA 3.36Å; Y1392-S1396 WeakPolarHBondContact O-CB 3.34Å; Y1392-S1396 PolarHBondContact O-N 3.21Å; H1393-S1396 PolarHBondContact O-N 3.26Å; S1396-E1398 PolarHBondContact O-N 2.86Å; S1396-E1398 VanDerWaalsContact O-N 3.14Å; S1396-E1398 WeakPolarHBondContact OG-CB 3.43Å; S1396-E1398 PolarHBondContact OG-N 3.47Å; S1396-E1398 VanDerWaalsContact OG-N 3.07Å; S1396-E1398 PolarHBondContact OG-OE2 3.36Å; S1396-Y1399 PolarHBondContact O-N 3.16Å; S1396-I1400 PolarHBondContact O-N 2.92Å | ||
| 1397 | P | 69.4 | Low | 66.5 | Low | 44 Ų | 44 | 60.6 Ų | 60.6 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.8 | -28.6 | 166.6 | -23.5 | 33.6 | 0 | 0 | 0 | 112.8 | I1227 Y1399 V1401 L1443 | I1227-P1397 HydrophobicContact CG2-CB 4.4Å; I1227-P1397 HydrophobicContact CG2-CG 4.11Å; P1397-Y1399 VanDerWaalsContact C-N 3.33Å; P1397-Y1399 PolarHBondContact O-N 3.45Å; P1397-V1401 HydrophobicContact CB-CG2 3.95Å; P1397-V1401 VanDerWaalsContact O-CB 3.24Å; P1397-V1401 WeakPolarHBondContact O-CB 3.35Å; P1397-V1401 WeakPolarHBondContact O-CG2 3.27Å; P1397-V1401 PolarHBondContact O-N 2.83Å; P1397-L1443 HydrophobicContact CG-CD2 3.66Å |
| 1398 | E | 68.8 | Low | 65.9 | Low | 135 Ų | 135 | 61 Ų | 61 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70 | -27.9 | -176.7 | -57.6 | 169.3 | 129.7 | 0 | 0 | 112.9 | Y1392 S1396 | Y1392-E1398 PolarHBondContact OH-OE2 3.22Å; S1396-E1398 PolarHBondContact O-N 2.86Å; S1396-E1398 VanDerWaalsContact O-N 3.14Å; S1396-E1398 WeakPolarHBondContact OG-CB 3.43Å; S1396-E1398 PolarHBondContact OG-N 3.47Å; S1396-E1398 VanDerWaalsContact OG-N 3.07Å; S1396-E1398 PolarHBondContact OG-OE2 3.36Å |
| 1399 | Y | 74.3 | Confident | 65.2 | Low | 115 Ų | 115 | 67.3 Ų | 67.3 | 45% | 0.451 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -101.4 | -16.5 | 178.7 | -58.3 | -55.4 | 0 | 0 | 0 | 113.5 | T1372 H1376 H1393 S1396 P1397 | T1372-Y1399 WeakPolarHBondContact CG2-O 3.43Å; H1376-Y1399 AromaticContact CE1-CD2 3.6Å; H1376-Y1399 AromaticContact CE1-CG 3.66Å; H1393-Y1399 AromaticContact ND1-CE2 3.85Å; S1396-Y1399 PolarHBondContact O-N 3.16Å; P1397-Y1399 VanDerWaalsContact C-N 3.33Å; P1397-Y1399 PolarHBondContact O-N 3.45Å |
| 1400 | I | 78.3 | Confident | 64.4 | Low | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -119.3 | -25.1 | -169.2 | -65.3 | 173.4 | 0 | 0 | 0 | 113.6 | T1228 V1373 L1394 S1396 V1402 | T1228-I1400 HydrophobicContact CG2-CG2 3.53Å; V1373-I1400 HydrophobicContact CG2-CD1 4.37Å; V1373-I1400 HydrophobicContact CG2-CG1 4.26Å; V1373-I1400 HydrophobicContact CG2-CG2 3.58Å; L1394-I1400 VanDerWaalsContact O-CD1 3.3Å; L1394-I1400 WeakPolarHBondContact O-CD1 3.47Å; S1396-I1400 PolarHBondContact O-N 2.92Å; I1400-V1402 PolarHBondContact O-N 2.98Å; I1400-V1402 VanDerWaalsContact O-N 3.08Å |
| 1401 | V | 68.7 | Low | 63.6 | Low | 38 Ų | 38 | 70 Ų | 70 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | trans | -84.3 | 89.8 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | I1227 T1228 P1397 | I1227-V1401 HydrophobicContact CG2-CG2 4.22Å; T1228-V1401 HydrophobicContact CG2-CG2 4.45Å; P1397-V1401 HydrophobicContact CB-CG2 3.95Å; P1397-V1401 VanDerWaalsContact O-CB 3.24Å; P1397-V1401 WeakPolarHBondContact O-CB 3.35Å; P1397-V1401 WeakPolarHBondContact O-CG2 3.27Å; P1397-V1401 PolarHBondContact O-N 2.83Å | ||
| 1402 | V | 63.7 | Low | 63.1 | Low | 28 Ų | 28 | 69.4 Ų | 69.4 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | trans | -51 | 144.8 | 168.5 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | Y1365 T1368 V1369 T1372 I1400 R1404 L1406 | Y1365-V1402 HydrophobicContact CE2-CB 3.92Å; Y1365-V1402 WeakPolarHBondContact CE2-O 3.33Å; Y1365-V1402 PolarHBondContact OH-O 3.06Å; T1368-V1402 HydrophobicContact CG2-CB 4.5Å; T1368-V1402 HydrophobicContact CG2-CG1 3.75Å; T1368-V1402 HydrophobicContact CG2-CG2 4.05Å; V1369-V1402 HydrophobicContact CG2-CG2 4.23Å; T1372-V1402 HydrophobicContact CG2-CG2 4.39Å; T1372-V1402 WeakPolarHBondContact OG1-CG2 3.41Å; I1400-V1402 PolarHBondContact O-N 2.98Å; I1400-V1402 VanDerWaalsContact O-N 3.08Å; V1402-R1404 PolarHBondContact O-N 3.48Å; V1402-L1406 HydrophobicContact CG1-CD1 3.78Å | ||
| 1403 | D | 57.3 | Low | 62.6 | Low | 83 Ų | 83 | 66.1 Ų | 66.1 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | trans | -51.5 | 120.7 | -176.7 | -170.8 | -17 | 0 | 0 | 0 | 112.1 | K1405 L1406 | D1403-K1405 PolarHBondContact O-N 3.32Å; D1403-K1405 VanDerWaalsContact O-N 3.08Å; D1403-K1405 VanDerWaalsContact OD1-CG 3.3Å; D1403-K1405 WeakPolarHBondContact OD1-CG 3.48Å; D1403-K1405 PolarHBondContact OD1-N 2.91Å; D1403-K1405 VanDerWaalsContact OD2-CD 3.3Å; D1403-K1405 WeakPolarHBondContact OD2-CD 3.35Å; D1403-K1405 WeakPolarHBondContact OD2-CE 3.39Å; D1403-K1405 IonicContact OD2-NZ 3.9Å; D1403-K1405 PolarHBondContact OD2-NZ 3.01Å; D1403-L1406 PolarHBondContact O-N 2.8Å | ||
| 1404 | R | 56.9 | Low | 62.1 | Low | 100 Ų | 100 | 71.4 Ų | 71.4 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -69.3 | -2.2 | -177.3 | -65 | -169.5 | -172.7 | 147.5 | 11.7 | 114.1 | V1402 L1406 L1407 | V1402-R1404 PolarHBondContact O-N 3.48Å; R1404-L1406 PolarHBondContact O-N 2.93Å; R1404-L1407 WeakPolarHBondContact O-CB 3.32Å; R1404-L1407 PolarHBondContact O-N 2.56Å |
| 1405 | K | 50.2 | Low | 61.3 | Low | 174 Ų | 174 | 74.2 Ų | 74.2 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -56.2 | -24.8 | 166.9 | -69.8 | 169.8 | -156.4 | 141.8 | 0 | 113.1 | D1403 L1407 | D1403-K1405 PolarHBondContact O-N 3.32Å; D1403-K1405 VanDerWaalsContact O-N 3.08Å; D1403-K1405 VanDerWaalsContact OD1-CG 3.3Å; D1403-K1405 WeakPolarHBondContact OD1-CG 3.48Å; D1403-K1405 PolarHBondContact OD1-N 2.91Å; D1403-K1405 VanDerWaalsContact OD2-CD 3.3Å; D1403-K1405 WeakPolarHBondContact OD2-CD 3.35Å; D1403-K1405 WeakPolarHBondContact OD2-CE 3.39Å; D1403-K1405 IonicContact OD2-NZ 3.9Å; D1403-K1405 PolarHBondContact OD2-NZ 3.01Å; K1405-L1407 PolarHBondContact O-N 2.74Å |
| 1406 | L | 50.6 | Low | 60.7 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -64.2 | -22 | 171.1 | -76.4 | 162.7 | 0 | 0 | 0 | 113.4 | Y1365 V1402 D1403 R1404 | Y1365-L1406 HydrophobicContact CD2-CB 4.28Å; Y1365-L1406 HydrophobicContact CD2-CD1 4.46Å; V1402-L1406 HydrophobicContact CG1-CD1 3.78Å; D1403-L1406 PolarHBondContact O-N 2.8Å; R1404-L1406 PolarHBondContact O-N 2.93Å |
| 1407 | L | 50.1 | Low | 59.8 | Low | 17 Ų | 17 | 80.2 Ų | 80.2 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -89.8 | 106.4 | 172.8 | -64.1 | 172.1 | 0 | 0 | 0 | 109.3 | M1362 Y1365 R1404 K1405 L1412 | M1362-L1407 HydrophobicContact CE-CD2 3.99Å; M1362-L1407 HydrophobicContact SD-CD2 4.33Å; Y1365-L1407 HydrophobicContact CD1-CD1 4.47Å; Y1365-L1407 HydrophobicContact CD1-CD2 4.44Å; Y1365-L1407 HydrophobicContact CE1-CD1 4.44Å; Y1365-L1407 HydrophobicContact CG-CD2 4.29Å; Y1365-L1407 HydrophobicContact CG-CG 4.43Å; R1404-L1407 WeakPolarHBondContact O-CB 3.32Å; R1404-L1407 PolarHBondContact O-N 2.56Å; K1405-L1407 PolarHBondContact O-N 2.74Å; L1407-L1412 HydrophobicContact CB-CD1 4.01Å |
| 1408 | R | 47.1 | Very low | 59.1 | Low | 101 Ų | 101 | 80.2 Ų | 80.2 | 38% | 0.381 | 38% | 0.38 | S | S | . | . | trans | -56.3 | 152.8 | 178.2 | -65.3 | 175.7 | 176.2 | -87.5 | -6.6 | 111 | S1087 D1088 N1410 T1411 | S1087-R1408 VanDerWaalsContact CB-CZ 3.43Å; S1087-R1408 VanDerWaalsContact CB-NH1 3.3Å; S1087-R1408 PolarHBondContact O-NH2 3.14Å; S1087-R1408 PolarHBondContact OG-NE 2.98Å; S1087-R1408 VanDerWaalsContact OG-NE 3.17Å; S1087-R1408 PolarHBondContact OG-NH1 2.96Å; S1087-R1408 PolarHBondContact OG-NH2 3.36Å; D1088-R1408 IonicContact OD1-CZ 2.77Å; D1088-R1408 IonicContact OD1-NE 2.63Å; D1088-R1408 IonicContact OD1-NH2 2.85Å; D1088-R1408 PolarHBondContact OD1-NH2 3.18Å; D1088-R1408 IonicContact OD2-CZ 3.82Å; D1088-R1408 VanDerWaalsContact OD2-CZ 3.22Å; D1088-R1408 IonicContact OD2-NE 2.74Å; D1088-R1408 PolarHBondContact OD2-NE 3.3Å; D1088-R1408 IonicContact OD2-NH2 3.2Å; D1088-R1408 PolarHBondContact OD2-NH2 3.02Å; R1408-N1410 PolarHBondContact O-N 3.04Å; R1408-T1411 PolarHBondContact O-N 2.84Å; R1408-T1411 VanDerWaalsContact O-N 3.12Å; R1408-T1411 PolarHBondContact O-OG1 2.85Å | ||
| 1409 | K | 48.9 | Very low | 58.3 | Low | 179 Ų | 179 | 74.2 Ų | 74.2 | 78% | 0.778 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -20.2 | -179.1 | -82.8 | -177 | 177.2 | 173.7 | 0 | 115.1 | ||
| 1410 | N | 49.4 | Very low | 57 | Low | 158 Ų | 158 | 70.3 Ų | 70.3 | 85% | 0.845 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -24.8 | -174.8 | -62 | 2.6 | 0 | 0 | 0 | 113.2 | R1408 | R1408-N1410 PolarHBondContact O-N 3.04Š|
| 1411 | T | 51.7 | Low | 56 | Low | 29 Ų | 29 | 72.7 Ų | 72.7 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.3 | -179 | -27.7 | 0 | 0 | 0 | 0 | 111.7 | M1362 R1408 T1419 | M1362-T1411 HydrophobicContact CE-CG2 4.37Å; R1408-T1411 PolarHBondContact O-N 2.84Å; R1408-T1411 VanDerWaalsContact O-N 3.12Å; R1408-T1411 PolarHBondContact O-OG1 2.85Å; T1411-T1419 HydrophobicContact CG2-CG2 3.97Å; T1411-T1419 WeakPolarHBondContact O-CA 3.25Å; T1411-T1419 VanDerWaalsContact O-CG2 3.26Å; T1411-T1419 WeakPolarHBondContact O-CG2 3.37Å |
| 1412 | L | 57 | Low | 55.4 | Low | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.2 | -176.6 | -70 | 160.7 | 0 | 0 | 0 | 111.1 | L1407 F1414 T1419 | L1407-L1412 HydrophobicContact CB-CD1 4.01Å; L1412-F1414 PolarHBondContact O-N 2.99Å; L1412-F1414 VanDerWaalsContact O-N 3.11Å; L1412-T1419 HydrophobicContact CD2-CG2 3.51Å; L1412-T1419 HydrophobicContact CG-CG2 3.91Å |
| 1413 | C | 60.4 | Low | 55.4 | Low | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.034 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 114.8 | 171.7 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | I1415 C1416 N1417 Q1418 H1421 C1426 | C1413-I1415 PolarHBondContact O-N 3.36Å; C1413-C1416 PolarHBondContact O-N 2.8Å; C1413-N1417 PolarHBondContact O-N 2.82Å; C1413-Q1418 WeakPolarHBondContact CB-O 3.41Å; C1413-Q1418 PolarHBondContact N-O 3.41Å; C1413-H1421 WeakPolarHBondContact CB-NE2 3.38Å; C1413-H1421 WeakPolarHBondContact CB-O 3.45Å; C1413-H1421 VanDerWaalsContact SG-CD2 3.55Å; C1413-H1421 PolarHBondContact SG-NE2 2.84Å; C1413-C1426 VanDerWaalsContact SG-CB 3.53Å |
| 1414 | F | 64.2 | Low | 55.4 | Low | 167 Ų | 167 | 79.5 Ų | 79.5 | 73% | 0.732 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -24.8 | -178.5 | -171.3 | -99.1 | 0 | 0 | 0 | 115.3 | L1412 | L1412-F1414 PolarHBondContact O-N 2.99Å; L1412-F1414 VanDerWaalsContact O-N 3.11Å |
| 1415 | I | 62.9 | Low | 55.4 | Low | 63 Ų | 63 | 80.7 Ų | 80.7 | 32% | 0.323 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.5 | -180 | -64.8 | -176.3 | 0 | 0 | 0 | 113.5 | C1413 A1423 C1426 N1429 | C1413-I1415 PolarHBondContact O-N 3.36Å; I1415-A1423 HydrophobicContact CD1-CB 4.05Å; I1415-A1423 WeakPolarHBondContact CD1-O 3.23Å; I1415-A1423 HydrophobicContact CG1-CB 4.09Å; I1415-C1426 HydrophobicContact CB-CB 4.37Å; I1415-N1429 HydrophobicContact CD1-CB 3.84Å |
| 1416 | C | 68.6 | Low | 56 | Low | 32 Ų | 32 | 72.7 Ų | 72.7 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | -1.9 | -174.2 | 71.4 | 0 | 0 | 0 | 0 | 116 | C1413 Q1418 H1421 C1426 | C1413-C1416 PolarHBondContact O-N 2.8Å; C1416-Q1418 HydrophobicContact CB-CG 4.38Å; C1416-Q1418 PolarHBondContact O-N 3.08Å; C1416-Q1418 VanDerWaalsContact SG-CB 3.57Å; C1416-H1421 PolarHBondContact SG-NE2 3.13Å; C1416-H1421 VanDerWaalsContact SG-NE2 3.39Å; C1416-C1426 PolarHBondContact SG-SG 3.4Å |
| 1417 | N | 58.4 | Low | 56.4 | Low | 104 Ų | 104 | 73.9 Ų | 73.9 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.3 | -173.3 | -78.6 | -17.8 | 0 | 0 | 0 | 113.5 | C1413 | C1413-N1417 PolarHBondContact O-N 2.82Š|
| 1418 | Q | 53.7 | Low | 56.9 | Low | 43 Ų | 43 | 74.8 Ų | 74.8 | 20% | 0.201 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.3 | 165.9 | -53.7 | -82.3 | 3.5 | 0 | 0 | 107.7 | C1413 C1416 D1439 | C1413-Q1418 WeakPolarHBondContact CB-O 3.41Å; C1413-Q1418 PolarHBondContact N-O 3.41Å; C1416-Q1418 HydrophobicContact CB-CG 4.38Å; C1416-Q1418 PolarHBondContact O-N 3.08Å; C1416-Q1418 VanDerWaalsContact SG-CB 3.57Å; Q1418-D1439 PolarHBondContact NE2-OD2 3.35Å |
| 1419 | T | 51.8 | Low | 57.4 | Low | 10 Ų | 10 | 73.7 Ų | 73.7 | 6% | 0.061 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.7 | 175.2 | 35.1 | 0 | 0 | 0 | 0 | 110.7 | S1235 M1362 T1411 L1412 | S1235-T1419 WeakPolarHBondContact CB-O 3.3Å; S1235-T1419 VanDerWaalsContact CB-OG1 3.3Å; S1235-T1419 WeakPolarHBondContact CB-OG1 3.47Å; S1235-T1419 WeakPolarHBondContact O-CB 3.32Å; S1235-T1419 PolarHBondContact OG-O 3Å; M1362-T1419 HydrophobicContact CE-CG2 4.17Å; T1411-T1419 HydrophobicContact CG2-CG2 3.97Å; T1411-T1419 WeakPolarHBondContact O-CA 3.25Å; T1411-T1419 VanDerWaalsContact O-CG2 3.26Å; T1411-T1419 WeakPolarHBondContact O-CG2 3.37Å; L1412-T1419 HydrophobicContact CD2-CG2 3.51Å; L1412-T1419 HydrophobicContact CG-CG2 3.91Å |
| 1420 | G | 47.4 | Very low | 57.6 | Low | 32 Ų | 32 | 69.7 Ų | 69.7 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 101.7 | 36.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | A1234 S1235 | A1234-G1420 WeakPolarHBondContact O-CA 3.21Å; S1235-G1420 VanDerWaalsContact CA-CA 3.49Å |
| 1421 | H | 57 | Low | 57 | Low | 52 Ų | 52 | 72 Ų | 72 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -171.2 | 151 | 163.3 | 46.2 | -91.7 | 0 | 0 | 0 | 107.2 | C1413 C1416 E1425 C1426 | C1413-H1421 WeakPolarHBondContact CB-NE2 3.38Å; C1413-H1421 WeakPolarHBondContact CB-O 3.45Å; C1413-H1421 VanDerWaalsContact SG-CD2 3.55Å; C1413-H1421 PolarHBondContact SG-NE2 2.84Å; C1416-H1421 PolarHBondContact SG-NE2 3.13Å; C1416-H1421 VanDerWaalsContact SG-NE2 3.39Å; H1421-E1425 HydrophobicContact CB-CB 4.15Å; H1421-C1426 WeakPolarHBondContact CD2-CA 3.47Å; H1421-C1426 PolarHBondContact NE2-SG 3.41Å |
| 1422 | V | 56.2 | Low | 56.2 | Low | 89 Ų | 89 | 78.7 Ų | 78.7 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | trans | -72.8 | 159.9 | 173.8 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | F1424 E1425 C1426 | V1422-F1424 HydrophobicContact CG2-CB 4.06Å; V1422-F1424 PolarHBondContact O-N 3.01Å; V1422-E1425 HydrophobicContact CG2-CB 4.22Å; V1422-E1425 HydrophobicContact CG2-CG 3.7Å; V1422-E1425 WeakPolarHBondContact CG2-OE2 3.35Å; V1422-E1425 PolarHBondContact N-OE2 3.15Å; V1422-E1425 PolarHBondContact O-N 3.11Å; V1422-C1426 PolarHBondContact O-N 3.29Å | ||
| 1423 | A | 63.6 | Low | 55.1 | Low | 39 Ų | 39 | 83.4 Ų | 83.4 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -33.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1415 C1426 N1429 | I1415-A1423 HydrophobicContact CD1-CB 4.05Å; I1415-A1423 WeakPolarHBondContact CD1-O 3.23Å; I1415-A1423 HydrophobicContact CG1-CB 4.09Å; A1423-C1426 WeakPolarHBondContact O-CB 3.31Å; A1423-N1429 PolarHBondContact O-ND2 2.88Å |
| 1424 | F | 57.2 | Low | 54 | Low | 165 Ų | 165 | 92.8 Ų | 92.8 | 72% | 0.724 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -45.2 | 175 | 179.1 | -103.8 | 0 | 0 | 0 | 113.1 | V1422 C1426 N1429 | V1422-F1424 HydrophobicContact CG2-CB 4.06Å; V1422-F1424 PolarHBondContact O-N 3.01Å; F1424-C1426 VanDerWaalsContact C-N 3.34Å; F1424-N1429 PolarHBondContact O-ND2 3.07Å |
| 1425 | E | 56.7 | Low | 52.5 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10 | -175.5 | -64.4 | 172.8 | 146.6 | 0 | 0 | 113.7 | H1421 V1422 P1427 | H1421-E1425 HydrophobicContact CB-CB 4.15Å; V1422-E1425 HydrophobicContact CG2-CB 4.22Å; V1422-E1425 HydrophobicContact CG2-CG 3.7Å; V1422-E1425 WeakPolarHBondContact CG2-OE2 3.35Å; V1422-E1425 PolarHBondContact N-OE2 3.15Å; V1422-E1425 PolarHBondContact O-N 3.11Å; E1425-P1427 WeakPolarHBondContact O-CD 3.32Å |
| 1426 | C | 64.1 | Low | 51 | Low | 6 Ų | 6 | 98.8 Ų | 98.8 | 4% | 0.041 | 49% | 0.489 | C | S | . | . | trans | -55.1 | 127.2 | -172.8 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | C1413 I1415 C1416 H1421 V1422 A1423 F1424 S1428 N1429 | C1413-C1426 VanDerWaalsContact SG-CB 3.53Å; I1415-C1426 HydrophobicContact CB-CB 4.37Å; C1416-C1426 PolarHBondContact SG-SG 3.4Å; H1421-C1426 WeakPolarHBondContact CD2-CA 3.47Å; H1421-C1426 PolarHBondContact NE2-SG 3.41Å; V1422-C1426 PolarHBondContact O-N 3.29Å; A1423-C1426 WeakPolarHBondContact O-CB 3.31Å; F1424-C1426 VanDerWaalsContact C-N 3.34Å; C1426-S1428 PolarHBondContact O-N 2.75Å; C1426-S1428 PolarHBondContact SG-N 2.93Å; C1426-N1429 HydrophobicContact CB-CB 4.01Å; C1426-N1429 WeakPolarHBondContact O-CB 3.32Å; C1426-N1429 PolarHBondContact O-N 3Å | ||
| 1427 | P | 57.4 | Low | 49.7 | Very low | 104 Ų | 104 | 103.1 Ų | 103.1 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16 | 172.5 | -26.4 | 35.9 | 0 | 0 | 0 | 113.8 | E1425 K1430 | E1425-P1427 WeakPolarHBondContact O-CD 3.32Å; P1427-K1430 WeakPolarHBondContact O-CE 3.48Å |
| 1428 | S | 60.2 | Low | 48.8 | Very low | 37 Ų | 37 | 100.9 Ų | 100.9 | 26% | 0.259 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.5 | 172.2 | -61.2 | 0 | 0 | 0 | 0 | 114.7 | C1426 K1430 | C1426-S1428 PolarHBondContact O-N 2.75Å; C1426-S1428 PolarHBondContact SG-N 2.93Å; S1428-K1430 VanDerWaalsContact C-N 3.32Å; S1428-K1430 VanDerWaalsContact O-CB 3.32Å; S1428-K1430 WeakPolarHBondContact O-CB 3.12Å; S1428-K1430 WeakPolarHBondContact O-CG 3.34Å; S1428-K1430 PolarHBondContact O-N 3.05Å |
| 1429 | N | 57.8 | Low | 48.2 | Very low | 77 Ų | 77 | 102.2 Ų | 102.2 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | trans | -69.3 | 84.1 | 173.7 | -176.9 | 10 | 0 | 0 | 0 | 110.8 | I1415 A1423 F1424 C1426 | I1415-N1429 HydrophobicContact CD1-CB 3.84Å; A1423-N1429 PolarHBondContact O-ND2 2.88Å; F1424-N1429 PolarHBondContact O-ND2 3.07Å; C1426-N1429 HydrophobicContact CB-CB 4.01Å; C1426-N1429 WeakPolarHBondContact O-CB 3.32Å; C1426-N1429 PolarHBondContact O-N 3Å | ||
| 1430 | K | 53.3 | Low | 47.9 | Very low | 95 Ų | 95 | 107.2 Ų | 107.2 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | trans | -116.1 | 88.7 | -154.9 | -84.3 | 169.4 | 168.2 | -98.7 | 0 | 115 | P1427 S1428 K1432 N1433 | P1427-K1430 WeakPolarHBondContact O-CE 3.48Å; S1428-K1430 VanDerWaalsContact C-N 3.32Å; S1428-K1430 VanDerWaalsContact O-CB 3.32Å; S1428-K1430 WeakPolarHBondContact O-CB 3.12Å; S1428-K1430 WeakPolarHBondContact O-CG 3.34Å; S1428-K1430 PolarHBondContact O-N 3.05Å; K1430-K1432 VanDerWaalsContact CD-O 3.31Å; K1430-K1432 WeakPolarHBondContact CD-O 3.4Å; K1430-K1432 VanDerWaalsContact CG-O 3.3Å; K1430-K1432 WeakPolarHBondContact CG-O 3.35Å; K1430-K1432 PolarHBondContact NZ-O 2.97Å; K1430-K1432 PolarHBondContact O-N 2.87Å; K1430-N1433 VanDerWaalsContact CD-O 3.27Å; K1430-N1433 WeakPolarHBondContact CD-O 3.1Å; K1430-N1433 WeakPolarHBondContact CE-O 3.35Å; K1430-N1433 PolarHBondContact NZ-O 3.28Å | ||
| 1431 | K | 37.9 | Very low | 47.5 | Very low | 208 Ų | 208 | 109.8 Ų | 109.8 | 90% | 0.904 | 55% | 0.546 | S | S | * | . | S | Bend | -55.8 | 92.5 | 118.8 | -74.2 | 178.7 | 178.2 | 172 | 0 | 108.5 | |||
| 1432 | K | 33.9 | Very low | 46.9 | Very low | 168 Ų | 168 | 110.1 Ų | 110.1 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 99.6 | 90 | 177.3 | -57.8 | 178.3 | 178.2 | 177.2 | 0 | 118.5 | K1430 | K1430-K1432 VanDerWaalsContact CD-O 3.31Å; K1430-K1432 WeakPolarHBondContact CD-O 3.4Å; K1430-K1432 VanDerWaalsContact CG-O 3.3Å; K1430-K1432 WeakPolarHBondContact CG-O 3.35Å; K1430-K1432 PolarHBondContact NZ-O 2.97Å; K1430-K1432 PolarHBondContact O-N 2.87Å |
| 1433 | N | 34.5 | Very low | 46.2 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | trans | 80.9 | 103.4 | 138.7 | -57.3 | 4.4 | 0 | 0 | 0 | 120.3 | K1430 | K1430-N1433 VanDerWaalsContact CD-O 3.27Å; K1430-N1433 WeakPolarHBondContact CD-O 3.1Å; K1430-N1433 WeakPolarHBondContact CE-O 3.35Å; K1430-N1433 PolarHBondContact NZ-O 3.28Å | ||
| 1434 | K | 36.2 | Very low | 45.2 | Very low | 202 Ų | 202 | 112.3 Ų | 112.3 | 88% | 0.878 | 56% | 0.556 | S | S | * | * | trans | -8.5 | 123.1 | 158.7 | -59.3 | -177.6 | 176.7 | -172.7 | 0 | 117.1 | ||||
| 1435 | R | 34.2 | Very low | 44.5 | Very low | 199 Ų | 199 | 106.6 Ų | 106.6 | 75% | 0.751 | 54% | 0.536 | S | S | * | . | trans | -148.5 | 83.9 | 149.4 | -88.5 | -163.6 | 176.2 | 177.4 | -1.4 | 109 | ||||
| 1436 | E | 31.3 | Very low | 43.9 | Very low | 158 Ų | 158 | 102.3 Ų | 102.3 | 74% | 0.738 | 52% | 0.517 | S | S | * | . | trans | -107.5 | 155.9 | 160.8 | -67.8 | 171.2 | 125.5 | 0 | 0 | 107.3 | ||||
| 1437 | N | 40.2 | Very low | 43 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 79.8 | -7.9 | -170.2 | -59.8 | -14.7 | 0 | 0 | 0 | 118.7 | D1439 V1441 | N1437-D1439 VanDerWaalsContact C-N 3.29Å; N1437-D1439 PolarHBondContact O-N 3.03Å; N1437-V1441 HydrophobicContact CB-CG2 4.14Å; N1437-V1441 VanDerWaalsContact O-CB 3.24Å; N1437-V1441 WeakPolarHBondContact O-CB 3.28Å; N1437-V1441 VanDerWaalsContact O-CG2 3.22Å; N1437-V1441 WeakPolarHBondContact O-CG2 3.48Å; N1437-V1441 PolarHBondContact O-N 3.15Å |
| 1438 | S | 39.6 | Very low | 42.1 | Very low | 58 Ų | 58 | 100 Ų | 100 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.5 | -39.3 | -176.8 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | A1442 | S1438-A1442 WeakPolarHBondContact O-CB 3.25Å; S1438-A1442 PolarHBondContact O-N 3.4Å |
| 1439 | D | 42.4 | Very low | 41.4 | Very low | 70 Ų | 70 | 104.4 Ų | 104.4 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -83.7 | -38.6 | -167.9 | -60.1 | 15.6 | 0 | 0 | 0 | 111.9 | Q1418 N1437 A1442 L1443 | Q1418-D1439 PolarHBondContact NE2-OD2 3.35Å; N1437-D1439 VanDerWaalsContact C-N 3.29Å; N1437-D1439 PolarHBondContact O-N 3.03Å; D1439-A1442 PolarHBondContact O-N 2.88Å; D1439-L1443 PolarHBondContact O-N 3.17Å |
| 1440 | I | 44.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 104 Ų | 104 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.6 | -38.9 | 172.7 | -61.3 | 176.8 | 0 | 0 | 0 | 109.4 | A1442 L1443 H1444 | I1440-A1442 VanDerWaalsContact C-N 3.32Å; I1440-A1442 PolarHBondContact O-N 2.93Å; I1440-L1443 PolarHBondContact O-N 3.37Å; I1440-H1444 WeakPolarHBondContact O-CB 3.44Å; I1440-H1444 PolarHBondContact O-N 2.83Å |
| 1441 | V | 39.6 | Very low | 39.9 | Very low | 86 Ų | 86 | 104.3 Ų | 104.3 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -30.7 | 172.5 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | N1437 H1444 S1445 | N1437-V1441 HydrophobicContact CB-CG2 4.14Å; N1437-V1441 VanDerWaalsContact O-CB 3.24Å; N1437-V1441 WeakPolarHBondContact O-CB 3.28Å; N1437-V1441 VanDerWaalsContact O-CG2 3.22Å; N1437-V1441 WeakPolarHBondContact O-CG2 3.48Å; N1437-V1441 PolarHBondContact O-N 3.15Å; V1441-H1444 CarbonylContact O-C 3.57Å; V1441-S1445 WeakPolarHBondContact O-CA 3.33Å; V1441-S1445 WeakPolarHBondContact O-CB 3.26Å; V1441-S1445 PolarHBondContact O-N 3.48Å |
| 1442 | A | 44.3 | Very low | 40.1 | Very low | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1438 D1439 I1440 S1445 L1446 | S1438-A1442 WeakPolarHBondContact O-CB 3.25Å; S1438-A1442 PolarHBondContact O-N 3.4Å; D1439-A1442 PolarHBondContact O-N 2.88Å; I1440-A1442 VanDerWaalsContact C-N 3.32Å; I1440-A1442 PolarHBondContact O-N 2.93Å; A1442-S1445 PolarHBondContact O-N 3.11Å; A1442-L1446 WeakPolarHBondContact O-CB 3.13Å; A1442-L1446 PolarHBondContact O-N 2.86Å |
| 1443 | L | 42 | Very low | 40.5 | Very low | 50 Ų | 50 | 100.5 Ų | 100.5 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 174.7 | -159.5 | 72.6 | 0 | 0 | 0 | 111.6 | P1397 D1439 I1440 S1445 L1446 I1447 | P1397-L1443 HydrophobicContact CG-CD2 3.66Å; D1439-L1443 PolarHBondContact O-N 3.17Å; I1440-L1443 PolarHBondContact O-N 3.37Å; L1443-S1445 PolarHBondContact O-N 2.77Å; L1443-L1446 WeakPolarHBondContact O-CB 3.47Å; L1443-L1446 PolarHBondContact O-N 2.92Å; L1443-I1447 WeakPolarHBondContact O-CG1 3.31Å; L1443-I1447 PolarHBondContact O-N 2.94Å |
| 1444 | H | 41.7 | Very low | 40.5 | Very low | 123 Ų | 123 | 96.6 Ų | 96.6 | 57% | 0.569 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.1 | -16.4 | 172.1 | -86.2 | -124.1 | 0 | 0 | 0 | 113.6 | I1440 V1441 G1448 | I1440-H1444 WeakPolarHBondContact O-CB 3.44Å; I1440-H1444 PolarHBondContact O-N 2.83Å; V1441-H1444 CarbonylContact O-C 3.57Å; H1444-G1448 WeakPolarHBondContact O-CA 3.48Å; H1444-G1448 PolarHBondContact O-N 2.64Å |
| 1445 | S | 43.1 | Very low | 40.4 | Very low | 45 Ų | 45 | 93.8 Ų | 93.8 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -92.1 | -26.4 | 172.8 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | V1441 A1442 L1443 H1449 | V1441-S1445 WeakPolarHBondContact O-CA 3.33Å; V1441-S1445 WeakPolarHBondContact O-CB 3.26Å; V1441-S1445 PolarHBondContact O-N 3.48Å; A1442-S1445 PolarHBondContact O-N 3.11Å; L1443-S1445 PolarHBondContact O-N 2.77Å; S1445-H1449 VanDerWaalsContact O-CB 3.29Å; S1445-H1449 WeakPolarHBondContact O-CB 3.39Å; S1445-H1449 PolarHBondContact O-N 2.73Å; S1445-H1449 PolarHBondContact O-ND1 2.69Å; S1445-H1449 PolarHBondContact OG-CE1 3.33Å; S1445-H1449 PolarHBondContact OG-ND1 3.22Å; S1445-H1449 VanDerWaalsContact OG-ND1 3.1Å |
| 1446 | L | 44.7 | Very low | 40.4 | Very low | 36 Ų | 36 | 88 Ų | 88 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 165.2 | -166.8 | 73.6 | 0 | 0 | 0 | 109.5 | A1442 L1443 F1450 | A1442-L1446 WeakPolarHBondContact O-CB 3.13Å; A1442-L1446 PolarHBondContact O-N 2.86Å; L1443-L1446 WeakPolarHBondContact O-CB 3.47Å; L1443-L1446 PolarHBondContact O-N 2.92Å; L1446-F1450 WeakPolarHBondContact O-CD2 3.2Å |
| 1447 | I | 45 | Very low | 40.4 | Very low | 36 Ų | 36 | 84.9 Ų | 84.9 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 173.1 | -62.8 | 161 | 0 | 0 | 0 | 110.7 | Y1392 L1443 F1450 L1451 | Y1392-I1447 HydrophobicContact CD2-CD1 4.04Å; Y1392-I1447 HydrophobicContact CD2-CG2 4.43Å; Y1392-I1447 HydrophobicContact CE2-CD1 4.18Å; L1443-I1447 WeakPolarHBondContact O-CG1 3.31Å; L1443-I1447 PolarHBondContact O-N 2.94Å; I1447-F1450 WeakPolarHBondContact O-CB 3.35Å; I1447-F1450 PolarHBondContact O-N 3.34Å; I1447-L1451 HydrophobicContact CG2-CD1 3.92Å; I1447-L1451 HydrophobicContact CG2-CG 4.36Å; I1447-L1451 PolarHBondContact O-N 3.02Å |
| 1448 | G | 38.1 | Very low | 40 | Very low | 24 Ų | 24 | 87.2 Ų | 87.2 | 25% | 0.247 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -70.1 | -37.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | H1444 F1450 L1451 H1452 | H1444-G1448 WeakPolarHBondContact O-CA 3.48Å; H1444-G1448 PolarHBondContact O-N 2.64Å; G1448-F1450 PolarHBondContact O-N 3.1Å; G1448-L1451 PolarHBondContact O-N 3.37Å; G1448-H1452 PolarHBondContact O-N 3.42Å |
| 1449 | H | 46.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 88 Ų | 88 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.9 | -29.1 | 172 | -87.9 | 94.6 | 0 | 0 | 0 | 112.1 | S1445 K1453 | S1445-H1449 VanDerWaalsContact O-CB 3.29Å; S1445-H1449 WeakPolarHBondContact O-CB 3.39Å; S1445-H1449 PolarHBondContact O-N 2.73Å; S1445-H1449 PolarHBondContact O-ND1 2.69Å; S1445-H1449 PolarHBondContact OG-CE1 3.33Å; S1445-H1449 PolarHBondContact OG-ND1 3.22Å; S1445-H1449 VanDerWaalsContact OG-ND1 3.1Å; H1449-K1453 PolarHBondContact O-N 3.03Å |
| 1450 | F | 40.2 | Very low | 38.7 | Very low | 68 Ų | 68 | 92.5 Ų | 92.5 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.7 | -45.1 | 175.3 | -89 | -98.1 | 0 | 0 | 0 | 112.1 | H1125 L1446 I1447 G1448 H1452 K1453 T1454 | H1125-F1450 AromaticContact CE1-CD1 3.88Å; H1125-F1450 AromaticContact CE1-CD2 3.78Å; H1125-F1450 AromaticContact CE1-CE1 3.41Å; H1125-F1450 VanDerWaalsContact CE1-CE1 3.41Å; H1125-F1450 WeakPolarHBondContact CE1-CE1 3.47Å; H1125-F1450 AromaticContact CE1-CE2 3.29Å; H1125-F1450 WeakPolarHBondContact CE1-CE2 3.45Å; H1125-F1450 AromaticContact CE1-CZ 3.09Å; H1125-F1450 WeakPolarHBondContact CE1-CZ 3.48Å; H1125-F1450 AromaticContact ND1-CE1 3.53Å; H1125-F1450 AromaticContact ND1-CZ 3.53Å; H1125-F1450 AromaticContact NE2-CE2 3.73Å; H1125-F1450 AromaticContact NE2-CZ 3.75Å; L1446-F1450 WeakPolarHBondContact O-CD2 3.2Å; I1447-F1450 WeakPolarHBondContact O-CB 3.35Å; I1447-F1450 PolarHBondContact O-N 3.34Å; G1448-F1450 PolarHBondContact O-N 3.1Å; F1450-H1452 VanDerWaalsContact C-N 3.26Å; F1450-H1452 PolarHBondContact O-N 3.44Å; F1450-K1453 PolarHBondContact O-N 3.15Å; F1450-K1453 VanDerWaalsContact O-N 3.14Å; F1450-T1454 PolarHBondContact O-N 3.21Å |
| 1451 | L | 39.5 | Very low | 37.9 | Very low | 103 Ų | 103 | 92.9 Ų | 92.9 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -32.1 | 174 | -68.1 | 174.7 | 0 | 0 | 0 | 113.3 | I1447 G1448 T1454 | I1447-L1451 HydrophobicContact CG2-CD1 3.92Å; I1447-L1451 HydrophobicContact CG2-CG 4.36Å; I1447-L1451 PolarHBondContact O-N 3.02Å; G1448-L1451 PolarHBondContact O-N 3.37Å; L1451-T1454 PolarHBondContact O-OG1 2.84Å; L1451-T1454 VanDerWaalsContact O-OG1 3.13Å |
| 1452 | H | 42 | Very low | 37.5 | Very low | 142 Ų | 142 | 97.9 Ų | 97.9 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.8 | -22.5 | 176.8 | -121.6 | -59.9 | 0 | 0 | 0 | 114 | G1448 F1450 | G1448-H1452 PolarHBondContact O-N 3.42Å; F1450-H1452 VanDerWaalsContact C-N 3.26Å; F1450-H1452 PolarHBondContact O-N 3.44Å |
| 1453 | K | 40.6 | Very low | 36.8 | Very low | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.7 | -35.2 | 179 | -116 | -174.8 | 175.8 | -171.8 | 0 | 112.7 | H1449 F1450 Q1455 A1456 S1457 | H1449-K1453 PolarHBondContact O-N 3.03Å; F1450-K1453 PolarHBondContact O-N 3.15Å; F1450-K1453 VanDerWaalsContact O-N 3.14Å; K1453-Q1455 VanDerWaalsContact C-N 3.34Å; K1453-Q1455 PolarHBondContact O-N 3.11Å; K1453-A1456 PolarHBondContact O-N 2.97Å; K1453-A1456 VanDerWaalsContact O-N 3.12Å; K1453-S1457 PolarHBondContact O-N 3.04Å; K1453-S1457 PolarHBondContact O-OG 3.12Å |
| 1454 | T | 36.3 | Very low | 36.2 | Very low | 49 Ų | 49 | 107.7 Ų | 107.7 | 30% | 0.301 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.3 | -32.2 | 178.9 | 47.8 | 0 | 0 | 0 | 0 | 113 | F1450 L1451 A1456 S1457 Q1458 | F1450-T1454 PolarHBondContact O-N 3.21Å; L1451-T1454 PolarHBondContact O-OG1 2.84Å; L1451-T1454 VanDerWaalsContact O-OG1 3.13Å; T1454-A1456 VanDerWaalsContact C-N 3.28Å; T1454-A1456 PolarHBondContact O-N 3.13Å; T1454-S1457 PolarHBondContact O-N 3.22Å; T1454-S1457 PolarHBondContact O-OG 3.25Å; T1454-Q1458 PolarHBondContact O-N 3.07Å |
| 1455 | Q | 32.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 109.5 Ų | 109.5 | 66% | 0.664 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -24 | 172.1 | -68.3 | -171.4 | -12.3 | 0 | 0 | 113.3 | K1453 S1459 | K1453-Q1455 VanDerWaalsContact C-N 3.34Å; K1453-Q1455 PolarHBondContact O-N 3.11Å; Q1455-S1459 PolarHBondContact O-OG 3Å |
| 1456 | A | 34.7 | Very low | 34.9 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 65% | 0.653 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -5.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1453 T1454 | K1453-A1456 PolarHBondContact O-N 2.97Å; K1453-A1456 VanDerWaalsContact O-N 3.12Å; T1454-A1456 VanDerWaalsContact C-N 3.28Å; T1454-A1456 PolarHBondContact O-N 3.13Å |
| 1457 | S | 31.6 | Very low | 34.2 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -120.5 | 10.3 | -178.5 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | K1453 T1454 | K1453-S1457 PolarHBondContact O-N 3.04Å; K1453-S1457 PolarHBondContact O-OG 3.12Å; T1454-S1457 PolarHBondContact O-N 3.22Å; T1454-S1457 PolarHBondContact O-OG 3.25Å |
| 1458 | Q | 30.6 | Very low | 33.4 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -115 | 12.9 | 171.6 | -72.2 | -171.3 | -26.8 | 0 | 0 | 113 | T1454 | T1454-Q1458 PolarHBondContact O-N 3.07Š|
| 1459 | S | 28.1 | Very low | 32.8 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 52% | 0.517 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -127.6 | 58.3 | -177.8 | 46 | 0 | 0 | 0 | 0 | 112.1 | Q1455 | Q1455-S1459 PolarHBondContact O-OG 3Š|
| 1460 | N | 27.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -178.7 | 98.1 | 148.5 | -94.3 | -28.1 | 0 | 0 | 0 | 112.1 | ||||
| 1461 | S | 26.6 | Very low | 31.3 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 87% | 0.867 | 70% | 0.698 | S | S | * | * | trans | -128.5 | 37.1 | 171.6 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1462 | Q | 31.6 | Very low | 30.7 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | trans | -117.8 | 100.6 | 167.6 | -79.5 | 179.9 | -39.7 | 0 | 0 | 111 | ||||
| 1463 | K | 28.6 | Very low | 30.1 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -81 | 160.2 | 151.6 | -86.1 | -176.1 | 178 | -177.8 | 0 | 107.8 | ||||
| 1464 | P | 31.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | cis | -146.6 | -179.5 | 36.6 | 43.8 | -24.6 | 0 | 0 | 0 | 118.7 | ||||
| 1465 | M | 26.3 | Very low | 29.2 | Very low | 161 Ų | 161 | 137 Ų | 137 | 79% | 0.793 | 72% | 0.722 | S | S | * | * | trans | 76.4 | 117.4 | 152.7 | -82.4 | -169.6 | 138.3 | 0 | 0 | 121.9 | ||||
| 1466 | D | 30.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | 86 | 127.6 | 123.2 | -76.9 | 36.6 | 0 | 0 | 0 | 124.9 | |||||
| 1467 | Q | 30.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 74.7 | 92.6 | 139.4 | -66.3 | 174.1 | 54.5 | 0 | 0 | 120.7 | ||||
| 1468 | H | 27.5 | Very low | 28.6 | Very low | 167 Ų | 167 | 148 Ų | 148 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | 61.6 | 140.5 | 112.8 | -98.2 | -80.1 | 0 | 0 | 0 | 123.1 | |||||
| 1469 | Y | 25.9 | Very low | 28.4 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 81.5 | 107.2 | 155.8 | -87.2 | -76.5 | 0 | 0 | 0 | 121.3 | ||||
| 1470 | D | 28 | Very low | 28.2 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | 97.9 | 112.2 | 122.9 | -107.2 | 38.4 | 0 | 0 | 0 | 125.6 | |||||
| 1471 | N | 26.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | 69.1 | 118.8 | 123.7 | -91.8 | -38.8 | 0 | 0 | 0 | 124.8 | |||||
| 1472 | S | 28 | Very low | 28 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | 73.8 | 150.1 | 146 | 87.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1473 | N | 28.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -155.3 | 172.3 | 18.8 | -101.9 | -49.7 | 0 | 0 | 0 | 108.4 | ||||
| 1474 | Q | 31.2 | Very low | 27.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | cis | -161.7 | 171.7 | 3.9 | -134.9 | -178.8 | 69.1 | 0 | 0 | 112 | ||||
| 1475 | N | 27.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | trans | 21.1 | 137.5 | 140.5 | -64.6 | -20.2 | 0 | 0 | 0 | 121.1 | ||||
| 1476 | R | 30.4 | Very low | 27.4 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | cis | -148.9 | 136.5 | 34.7 | -67.7 | 179.3 | -178.5 | -170.2 | -1.3 | 110.8 | ||||
| 1477 | Q | 30.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | 64.6 | 100.9 | 77.5 | -79.7 | -168.7 | -16.5 | 0 | 0 | 118.3 | |||||
| 1478 | L | 25 | Very low | 27.1 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | 41.2 | 119.6 | 119.3 | -64.7 | 169.5 | 0 | 0 | 0 | 120.8 | |||||
| 1479 | N | 26.1 | Very low | 27.1 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | 161.7 | 144.1 | 94 | -99.7 | -19.8 | 0 | 0 | 0 | 117.8 | |||||
| 1480 | S | 24.1 | Very low | 27.1 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 57.2 | 131.2 | 140.6 | 67.3 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 1481 | T | 25.8 | Very low | 27.4 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | 79.1 | 118.3 | 134.8 | 47.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1482 | S | 25.1 | Very low | 27.3 | Very low | 101 Ų | 101 | 146 Ų | 146 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 66.9 | 109.4 | 127.5 | -165.2 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1483 | T | 26.4 | Very low | 27.4 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | 42.1 | 119.8 | 123.7 | -24 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1484 | V | 25.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 147 Ų | 147 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | 161.4 | 121.4 | 119.4 | 157.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1485 | C | 27.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | -176.5 | 148.8 | 117.9 | -150.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1486 | K | 25.2 | Very low | 27.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -121.5 | 128.7 | 165.1 | -65.1 | 172.5 | -179.2 | 171.1 | 0 | 108 | ||||
| 1487 | T | 28.7 | Very low | 27.2 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -167.6 | 130.4 | 147.7 | 32.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1488 | F | 24.5 | Very low | 27.2 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 17.1 | 120.1 | 145.7 | -62.5 | -93.2 | 0 | 0 | 0 | 120.8 | ||||
| 1489 | R | 27.9 | Very low | 27.2 | Very low | 245 Ų | 245 | 140 Ų | 140 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | -168.2 | 138.7 | 100 | -100.3 | 173.8 | -173.8 | -170.7 | 2.4 | 113.6 | |||||
| 1490 | K | 26 | Very low | 27.1 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -110.7 | 172.9 | 146.5 | -80.3 | -170.5 | 174.4 | -174 | 0 | 105.5 | ||||
| 1491 | P | 33.5 | Very low | 27.4 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -149.7 | -170.7 | 21.3 | 45.9 | -25.4 | 0 | 0 | 0 | 118.1 | ||||
| 1492 | N | 26.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 85.4 | 136.2 | 140.9 | -75.5 | 0.9 | 0 | 0 | 0 | 125 | ||||
| 1493 | N | 29.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | 67.7 | 119.3 | 150.8 | -54.1 | 0.4 | 0 | 0 | 0 | 119.3 | ||||
| 1494 | T | 25.8 | Very low | 27.8 | Very low | 123 Ų | 123 | 150 Ų | 150 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | 74.7 | 149.7 | 37.7 | 78.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1495 | P | 35.4 | Very low | 28 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -137.1 | 178.5 | -59.3 | 38.8 | -22.4 | 0 | 0 | 0 | 112.9 | |||||
| 1496 | T | 27.9 | Very low | 28.1 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | 160.6 | 159.8 | 131.6 | 40.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1497 | N | 24.7 | Very low | 28.3 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -47.7 | 152.2 | -175.5 | -50.6 | -29.2 | 0 | 0 | 0 | 118.2 | ||||
| 1498 | I | 28.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 152 Ų | 152 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | -163.7 | 170.1 | 110 | -98.6 | 161.2 | 0 | 0 | 0 | 110.6 | |||||
| 1499 | S | 24.9 | Very low | 28.7 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -69.9 | 153.2 | -157.1 | 54.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1500 | S | 24.1 | Very low | 28.5 | Very low | 86 Ų | 86 | 144.6 Ų | 144.6 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | trans | 45.6 | 122.9 | 140.3 | 62.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1501 | H | 31.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | -166.9 | 153.4 | 100 | -109.4 | -76.2 | 0 | 0 | 0 | 115.7 | |||||
| 1502 | T | 26.8 | Very low | 28.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | trans | -53.8 | 140.4 | 176 | 45.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1503 | Y | 30 | Very low | 28.5 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -179.4 | 142.6 | 135.1 | -93.4 | -66.1 | 0 | 0 | 0 | 108.4 | ||||
| 1504 | R | 29 | Very low | 28.3 | Very low | 223 Ų | 223 | 148.7 Ų | 148.7 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | cis | -149.2 | 143.5 | -16.6 | -155.7 | 177 | -166.1 | 177.6 | 3.7 | 107.8 | ||||
| 1505 | N | 29 | Very low | 28.3 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -111.8 | 121.1 | 175.3 | -171.6 | 34.2 | 0 | 0 | 0 | 110 | ||||
| 1506 | P | 30.1 | Very low | 28 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | trans | -84.2 | 140.3 | 169.2 | 33.8 | -30.8 | 0 | 0 | 0 | 110.6 | ||||
| 1507 | F | 28.9 | Very low | 27.8 | Very low | 204 Ų | 204 | 154.6 Ų | 154.6 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | 64 | 81.3 | 176.1 | -51.8 | -70.2 | 0 | 0 | 0 | 116.8 | ||||
| 1508 | K | 25 | Very low | 28 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -123.6 | 132.5 | 139.7 | -153.6 | -174.3 | -174.3 | -164.5 | 0 | 107.6 | ||||
| 1509 | P | 36.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 158.5 Ų | 158.5 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -87.8 | 154.1 | -178.8 | 34.8 | -35.6 | 0 | 0 | 0 | 112 | ||||
| 1510 | Q | 25.5 | Very low | 28 | Very low | 173 Ų | 173 | 160.1 Ų | 160.1 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -171.3 | 133.6 | 155.2 | -117.1 | 165.8 | -11.4 | 0 | 0 | 113 | ||||
| 1511 | N | 30 | Very low | 28.2 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 153.7 | 147.3 | 134.9 | -81.5 | 1 | 0 | 0 | 0 | 111.5 | ||||
| 1512 | S | 26.7 | Very low | 27.9 | Very low | 81 Ų | 81 | 162.6 Ų | 162.6 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | cis | 167.3 | 131.6 | -40.9 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1513 | Y | 28.8 | Very low | 27.9 | Very low | 238 Ų | 238 | 164.6 Ų | 164.6 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | -159.6 | 162.1 | 145.8 | -94.6 | -62.5 | 0 | 0 | 0 | 109.9 | ||||
| 1514 | Q | 26 | Very low | 27.7 | Very low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -138.6 | -178.9 | -170.7 | -67.1 | 179.9 | -78.7 | 0 | 0 | 110.8 | ||||
| 1515 | V | 24.4 | Very low | 27.8 | Very low | 122 Ų | 122 | 158.9 Ų | 158.9 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 81.8 | 134.6 | 164.7 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1516 | Q | 28.9 | Very low | 27.8 | Very low | 185 Ų | 185 | 158.3 Ų | 158.3 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | cis | -140.4 | 176 | 17.7 | -145.5 | 139.8 | 18.5 | 0 | 0 | 113.7 | ||||
| 1517 | Q | 25.3 | Very low | 27.4 | Very low | 181 Ų | 181 | 162 Ų | 162 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -92.6 | 160.5 | 170.8 | -59.9 | 164.2 | -63.7 | 0 | 0 | 111.8 | ||||
| 1518 | I | 29.4 | Very low | 27.3 | Very low | 182 Ų | 182 | 159 Ų | 159 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | trans | -166.7 | 174.1 | 135.8 | -103.3 | 159.3 | 0 | 0 | 0 | 110.4 | ||||
| 1519 | R | 25.8 | Very low | 27.2 | Very low | 217 Ų | 217 | 154.4 Ų | 154.4 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | -108.4 | 163.8 | -146.3 | -117.7 | -177.5 | 177.3 | 158.5 | -1.9 | 116.4 | ||||
| 1520 | N | 27.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 87.5 | 133.6 | 146.4 | -72.7 | 24.3 | 0 | 0 | 0 | 123.6 | ||||
| 1521 | N | 27.5 | Very low | 26.5 | Very low | 129 Ų | 129 | 155 Ų | 155 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | trans | -25.4 | 153.5 | 155.9 | -49.8 | -2.4 | 0 | 0 | 0 | 115.3 | ||||
| 1522 | F | 25.9 | Very low | 26.5 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | -152.5 | -170.8 | 58 | -116.9 | -89.5 | 0 | 0 | 0 | 115.4 | |||||
| 1523 | Q | 25.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 159 Ų | 159 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 159.2 | -171 | -66.1 | -170.7 | 8.7 | 0 | 0 | 116.3 | ||||
| 1524 | Q | 26 | Very low | 26.7 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | trans | 41.1 | 115.1 | 146.9 | -64.5 | -171.5 | 72.1 | 0 | 0 | 121.2 | ||||
| 1525 | Q | 31.7 | Very low | 26.7 | Very low | 159 Ų | 159 | 154 Ų | 154 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 48.5 | 129.4 | 134 | -64.7 | -147.5 | 47.1 | 0 | 0 | 120.1 | ||||
| 1526 | P | 28.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | -144.9 | 162.7 | 76.3 | 39.9 | -24 | 0 | 0 | 0 | 117.6 | |||||
| 1527 | F | 22.3 | Very low | 26.9 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | 17 | 157.2 | 142.8 | -86.4 | -96.7 | 0 | 0 | 0 | 123.3 | ||||
| 1528 | I | 25.9 | Very low | 27.1 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | trans | 72.7 | 104.7 | 160.7 | -69.3 | 154 | 0 | 0 | 0 | 112.3 | ||||
| 1529 | S | 23 | Very low | 27 | Very low | 85 Ų | 85 | 147.3 Ų | 147.3 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | 62.2 | 146.9 | 65.4 | 99.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1530 | N | 24 | Very low | 27.2 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | cis | -164.1 | 173.2 | 22 | -129.4 | -24.6 | 0 | 0 | 0 | 111.9 | ||||
| 1531 | Y | 23.7 | Very low | 27.1 | Very low | 177 Ų | 177 | 145 Ų | 145 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | trans | 22.7 | 126 | 156.5 | -63.2 | -65.9 | 0 | 0 | 0 | 121.9 | ||||
| 1532 | H | 30.4 | Very low | 27.4 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | -126.1 | 120.6 | 104.6 | -92.3 | -20.1 | 0 | 0 | 0 | 111.4 | |||||
| 1533 | H | 28.9 | Very low | 27.6 | Very low | 140 Ų | 140 | 140 Ų | 140 | 65% | 0.648 | 72% | 0.717 | S | S | * | * | 38.1 | 143.5 | 126.6 | -61.3 | -40.3 | 0 | 0 | 0 | 120.4 | |||||
| 1534 | V | 29.3 | Very low | 27.8 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | cis | -125.1 | 169.3 | 29.9 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1535 | Q | 26.4 | Very low | 28 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -112.6 | -146.5 | -168.3 | -143 | -167.7 | 18.9 | 0 | 0 | 111.1 | ||||
| 1536 | P | 35.1 | Very low | 27.9 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 54% | 0.539 | 72% | 0.715 | S | S | . | * | -125.5 | 179.9 | -109.4 | 35 | -14.7 | 0 | 0 | 0 | 118.6 | |||||
| 1537 | H | 23.7 | Very low | 27.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | 86.6 | 155.2 | 154.5 | -57.9 | -56.2 | 0 | 0 | 0 | 122.2 | ||||
| 1538 | H | 27.6 | Very low | 28 | Very low | 171 Ų | 171 | 136 Ų | 136 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | 94.9 | 110.6 | 151.2 | -69.6 | -62.7 | 0 | 0 | 0 | 122.6 | ||||
| 1539 | V | 27.8 | Very low | 27.9 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | 100.2 | 123 | 121.6 | 169.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1540 | N | 29.8 | Very low | 28.5 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | trans | 77 | 109.5 | 153 | -72.5 | -6.6 | 0 | 0 | 0 | 124.5 | ||||
| 1541 | M | 26.7 | Very low | 28.6 | Very low | 167 Ų | 167 | 138 Ų | 138 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | 53.3 | 154.4 | 107.2 | -62 | -69.7 | -179.2 | 0 | 0 | 121.8 | |||||
| 1542 | P | 34 | Very low | 29.2 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 60% | 0.597 | 74% | 0.743 | S | S | * | * | cis | -146.3 | -177.3 | -40.1 | 42.8 | -25.8 | 0 | 0 | 0 | 115 | ||||
| 1543 | T | 30.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 63.7 | 150.3 | 157.6 | 56.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1544 | N | 29.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -166.9 | 168.9 | -4.2 | -102.3 | -5.5 | 0 | 0 | 0 | 107.4 | ||||
| 1545 | L | 30.1 | Very low | 29 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | cis | -161.3 | 147.9 | -2.9 | -120 | 164.3 | 0 | 0 | 0 | 108.8 | ||||
| 1546 | N | 29.3 | Very low | 28.9 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 55.1 | 141 | 154.8 | -73.1 | 1 | 0 | 0 | 0 | 122.1 | ||||
| 1547 | S | 25 | Very low | 28.9 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | cis | -162 | 124.1 | -2.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1548 | I | 26.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | -144.2 | 156.4 | 163.8 | -59.3 | -175.4 | 0 | 0 | 0 | 108.9 | ||||
| 1549 | L | 23.9 | Very low | 29.2 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -57.9 | -172.4 | 166.9 | -71.7 | 115.7 | 0 | 0 | 0 | 114.5 | ||||
| 1550 | P | 37.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | cis | -131.3 | -170.7 | -33.6 | 30.2 | -9.7 | 0 | 0 | 0 | 112.6 | ||||
| 1551 | S | 26 | Very low | 29.4 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -160.7 | 151.3 | 149.4 | 56.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1552 | V | 35 | Very low | 29.4 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -136.3 | 153.5 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1553 | P | 30.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -150 | 138.2 | 142.8 | 34.6 | -16.5 | 0 | 0 | 0 | 118.1 | ||||
| 1554 | Y | 23.4 | Very low | 28.9 | Very low | 208 Ų | 208 | 131 Ų | 131 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | 21.9 | 150 | 118.9 | -75.4 | -78.3 | 0 | 0 | 0 | 121.4 | |||||
| 1555 | P | 30.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | -151.2 | 178.5 | 55 | 42.7 | -21.7 | 0 | 0 | 0 | 120.6 | |||||
| 1556 | T | 25.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | -107.9 | -171.3 | 173.4 | 13.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1557 | P | 34.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | cis | -135.3 | 179.1 | -23.4 | 33.3 | -13.2 | 0 | 0 | 0 | 115.2 | ||||
| 1558 | L | 29.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 72% | 0.716 | S | S | * | * | 164.6 | 167.3 | 129.2 | -85.2 | 167.5 | 0 | 0 | 0 | 113.7 | |||||
| 1559 | L | 27.6 | Very low | 28.7 | Very low | 158 Ų | 158 | 124.2 Ų | 124.2 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | -107.5 | 176.8 | -164.7 | -76.3 | 126.3 | 0 | 0 | 0 | 113.9 | ||||
| 1560 | P | 34.5 | Very low | 29 | Very low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | cis | -142.5 | 163.6 | 14 | 41.6 | -21.4 | 0 | 0 | 0 | 121.2 | ||||
| 1561 | N | 28.2 | Very low | 28.5 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | 62.4 | 115.4 | 144.7 | -64.3 | 7.7 | 0 | 0 | 0 | 127.2 | ||||
| 1562 | N | 27 | Very low | 28.4 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | 102 | 97.6 | 125 | -78.4 | 5 | 0 | 0 | 0 | 127 | |||||
| 1563 | T | 27.6 | Very low | 27.9 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 56% | 0.558 | 70% | 0.699 | S | S | * | * | trans | 82 | 147.7 | 134.7 | 0.8 | 0 | 0 | 0 | 0 | 123.2 | S865 T866 | S865-T1563 CarbonylContact C-O 3.59Å; S865-T1563 WeakPolarHBondContact CA-O 3.48Å; S865-T1563 WeakPolarHBondContact CB-O 3.48Å; S865-T1563 PolarHBondContact OG-O 3.11Å; T866-T1563 WeakPolarHBondContact CB-O 3.2Å; T866-T1563 PolarHBondContact N-O 2.82Å; T866-T1563 PolarHBondContact OG1-O 3.27Å | ||
| 1564 | V | 26.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 66% | 0.655 | 69% | 0.692 | S | S | * | * | trans | 62.8 | 88.4 | 159.5 | -162.3 | 0 | 0 | 0 | 0 | 123.6 | S865 T866 | S865-V1564 CarbonylContact C-O 3.56Å; S865-V1564 VanDerWaalsContact C-O 3.32Å; S865-V1564 VanDerWaalsContact CA-C 3.41Å; S865-V1564 WeakPolarHBondContact CA-O 3.42Å; S865-V1564 PolarHBondContact N-O 3.05Å; T866-V1564 PolarHBondContact N-O 3.31Å; T866-V1564 VanDerWaalsContact OG1-CB 3.23Å; T866-V1564 WeakPolarHBondContact OG1-CB 3.23Å; T866-V1564 WeakPolarHBondContact OG1-CG2 3.26Å | ||
| 1565 | G | 25.1 | Very low | 28.3 | Very low | 33 Ų | 33 | 123.5 Ų | 123.5 | 34% | 0.34 | 69% | 0.685 | S | S | . | * | trans | 174.3 | 136.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | I864 | I864-G1565 PolarHBondContact N-O 3.41Š| ||
| 1566 | F | 27.5 | Very low | 28 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 75% | 0.746 | 68% | 0.676 | S | S | * | * | trans | -25.6 | 135.3 | 178 | -66.2 | -87.6 | 0 | 0 | 0 | 119.3 | P863 | P863-F1566 CarbonylContact C-O 3.33Å; P863-F1566 WeakPolarHBondContact CA-O 3.34Å | ||
| 1567 | I | 26.8 | Very low | 28 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 59% | 0.59 | 68% | 0.682 | S | S | * | * | cis | 71.1 | 110 | 35.1 | -50.7 | 166.7 | 0 | 0 | 0 | 113.9 | D862 | D862-I1567 PolarHBondContact OD1-N 2.99Š| ||
| 1568 | P | 30.5 | Very low | 27.5 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 51% | 0.513 | 68% | 0.677 | S | S | . | * | -144.1 | 165.5 | 99.3 | 38.2 | -23.8 | 0 | 0 | 0 | 113.9 | |||||
| 1569 | N | 26.8 | Very low | 27.2 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | cis | -152.2 | 149.3 | -14.6 | -109.8 | -32.1 | 0 | 0 | 0 | 106.2 | ||||
| 1570 | Y | 29.5 | Very low | 27.2 | Very low | 235 Ų | 235 | 119.6 Ų | 119.6 | 92% | 0.922 | 66% | 0.656 | S | S | * | * | -150.6 | 129.6 | 76.7 | -101.8 | -92.6 | 0 | 0 | 0 | 113 | |||||
| 1571 | G | 27 | Very low | 26.7 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | 67.2 | 73.2 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1572 | F | 24.5 | Very low | 26.4 | Very low | 195 Ų | 195 | 120 Ų | 120 | 86% | 0.855 | 66% | 0.655 | S | S | * | * | trans | -139.8 | 108.7 | 151.5 | -140.7 | -50.9 | 0 | 0 | 0 | 109.7 | ||||
| 1573 | M | 23.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | trans | 171.7 | 161.5 | 149.7 | -90.6 | -66.2 | 84.5 | 0 | 0 | 110.4 | R7 | R7-M1573 PolarHBondContact NH2-SD 2.88Š| ||
| 1574 | P | 39.8 | Very low | 26.1 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 58% | 0.578 | 67% | 0.669 | S | S | * | * | trans | -135.1 | -137.1 | -146.8 | 44.8 | -25.2 | 0 | 0 | 0 | 112.8 | ||||
| 1575 | N | 23.7 | Very low | 26.2 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 67% | 0.668 | 68% | 0.675 | S | S | * | * | trans | 81.5 | 145.1 | -167.7 | -45 | -60.4 | 0 | 0 | 0 | 111.2 | ||||
| 1576 | S | 22.6 | Very low | 26.2 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | cis | -175.4 | 160.8 | -12.9 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1577 | L | 26.5 | Very low | 26.1 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 85% | 0.848 | 67% | 0.674 | S | S | * | * | trans | 68.4 | 159.9 | 168.4 | -57.8 | 150.3 | 0 | 0 | 0 | 114.6 | ||||
| 1578 | S | 23 | Very low | 26.1 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | cis | -168 | 137.8 | -33.6 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1579 | N | 23.8 | Very low | 26 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 57% | 0.572 | 69% | 0.692 | S | S | * | * | trans | 65 | 155.4 | 149.5 | -58 | 6.9 | 0 | 0 | 0 | 120.9 | ||||
| 1580 | H | 26.8 | Very low | 26 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | 68.5 | 134.8 | 172.6 | -58.4 | -68.2 | 0 | 0 | 0 | 115.4 | ||||
| 1581 | L | 23.2 | Very low | 26 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | cis | 67.4 | 130.8 | 47.4 | -61.8 | 162.9 | 0 | 0 | 0 | 110.1 | ||||
| 1582 | V | 23.4 | Very low | 26 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | cis | -159.7 | 171.6 | 14.4 | 77.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1583 | Q | 24 | Very low | 26.1 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | 62.2 | 177.7 | 164.8 | -78.6 | 166.3 | -77.2 | 0 | 0 | 116.8 | ||||
| 1584 | S | 23.6 | Very low | 26.6 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | -160.7 | 168 | -62.5 | 51.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1585 | N | 27.2 | Very low | 26.2 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | trans | -73.3 | 171.5 | 179 | -66.5 | -17.9 | 0 | 0 | 0 | 113.2 | ||||
| 1586 | V | 26.5 | Very low | 26.5 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | 74.7 | 123.2 | 166.7 | -146.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1587 | Y | 25.5 | Very low | 26.9 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 52% | 0.522 | 70% | 0.697 | S | S | . | * | -138.6 | 168 | 54 | -102.5 | -97.4 | 0 | 0 | 0 | 117.8 | D832 N834 | D832-Y1587 WeakPolarHBondContact CB-OH 3.47Å; D832-Y1587 PolarHBondContact O-OH 3.01Å; D832-Y1587 VanDerWaalsContact O-OH 3.11Å; D832-Y1587 VanDerWaalsContact OD1-CE2 3.3Å; D832-Y1587 WeakPolarHBondContact OD1-CE2 3.2Å; D832-Y1587 PolarHBondContact OD1-OH 3.27Å; D832-Y1587 VanDerWaalsContact OD1-OH 3.06Å; D832-Y1587 PolarHBondContact OD2-OH 3.48Å; N834-Y1587 HydrophobicContact CB-CE2 4.43Å; N834-Y1587 VanDerWaalsContact ND2-CD2 3.34Å; N834-Y1587 WeakPolarHBondContact ND2-CD2 3.23Å | |||
| 1588 | D | 26.9 | Very low | 27.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 65% | 0.652 | 70% | 0.697 | S | S | * | * | trans | -127 | 160.8 | 172.8 | 177.8 | 27 | 0 | 0 | 0 | 109.6 | ||||
| 1589 | R | 27.8 | Very low | 27.5 | Very low | 219 Ų | 219 | 138.5 Ų | 138.5 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | trans | 98.2 | 122.4 | -172.8 | -59.9 | 176.3 | 180 | -144.2 | -2.4 | 114.4 | ||||
| 1590 | Q | 27.2 | Very low | 28.1 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 67% | 0.673 | 71% | 0.714 | S | S | * | * | 72.4 | 141.5 | 50.3 | -65.1 | -177.6 | 39 | 0 | 0 | 113.1 | |||||
| 1591 | Q | 28.8 | Very low | 28.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | cis | -156.6 | 174.8 | 6.3 | -123.7 | -176.5 | 80.6 | 0 | 0 | 108.1 | ||||
| 1592 | S | 28 | Very low | 28.9 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 55% | 0.552 | 73% | 0.725 | S | S | * | * | cis | -132.8 | -113.7 | 8.3 | 40.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1593 | F | 26 | Very low | 29 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | cis | -109.9 | 155.5 | 8.3 | -92.6 | -94.6 | 0 | 0 | 0 | 113.7 | ||||
| 1594 | P | 34.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -107 | -179.1 | 173.1 | 45.1 | -36.9 | 0 | 0 | 0 | 111.7 | ||||
| 1595 | P | 32.2 | Very low | 29.6 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | -139.9 | 168.6 | 77.8 | 42.9 | -27.5 | 0 | 0 | 0 | 112.6 | |||||
| 1596 | S | 29.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | cis | -171.7 | 145.3 | 43.8 | 38.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1597 | Y | 31.5 | Very low | 29.9 | Very low | 200 Ų | 200 | 137.1 Ų | 137.1 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | 60.2 | 124.9 | 141.6 | -74.5 | -58.1 | 0 | 0 | 0 | 126.5 | ||||
| 1598 | Y | 30.8 | Very low | 30.3 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | 77.7 | 162 | 144.9 | -79.9 | -63.5 | 0 | 0 | 0 | 121.4 | ||||
| 1599 | S | 29.7 | Very low | 30.5 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -128.3 | 165.9 | -149.9 | -90.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1600 | P | 36.3 | Very low | 30.7 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | trans | -95.8 | -166.9 | -158 | 44.1 | -41.1 | 0 | 0 | 0 | 111.9 | ||||
| 1601 | P | 37.4 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -138.8 | 164.6 | 3.7 | 42.2 | -24.8 | 0 | 0 | 0 | 118 | ||||
| 1602 | L | 29.9 | Very low | 30.8 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 96% | 0.963 | 74% | 0.743 | S | S | * | * | trans | -165.6 | 140.2 | 149.3 | -106.1 | 163 | 0 | 0 | 0 | 107.8 | ||||
| 1603 | G | 26.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -145.4 | 133.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1604 | C | 27.5 | Very low | 30.9 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -166.6 | 163 | 166 | -144.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1605 | V | 31.7 | Very low | 30.6 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -141.6 | -176.1 | 15.4 | -157.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1606 | N | 29.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | -46.3 | 165.2 | 169.6 | -51.9 | -31.2 | 0 | 0 | 0 | 115.6 | ||||
| 1607 | N | 31.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -161.9 | 134.7 | 42.7 | -115.7 | -28.3 | 0 | 0 | 0 | 114.5 | ||||
| 1608 | Q | 32.9 | Very low | 30 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | 65.3 | 145.6 | 141.5 | -58.3 | 175.3 | 34.6 | 0 | 0 | 120.8 | ||||
| 1609 | Q | 32.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | cis | -166.1 | 170.1 | -11.7 | -104.2 | 179.9 | 114 | 0 | 0 | 105.9 | ||||
| 1610 | Q | 30.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | cis | -162.1 | 135.9 | 0.4 | -120.9 | -178.1 | 40.9 | 0 | 0 | 104 | ||||
| 1611 | Y | 31 | Very low | 30.1 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | cis | -127.9 | 179.9 | -13.5 | -56 | -103.3 | 0 | 0 | 0 | 106.1 | ||||
| 1612 | K | 28.1 | Very low | 29.8 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 90% | 0.9 | 74% | 0.743 | S | S | * | * | cis | 74.4 | 144.1 | 18.7 | -65.7 | -162.4 | 172.8 | -169.8 | 0 | 117.9 | ||||
| 1613 | N | 28.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -148.9 | 166.3 | 176.9 | -155.7 | -8.3 | 0 | 0 | 0 | 108.2 | ||||
| 1614 | T | 27.5 | Very low | 30 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | trans | 61.6 | 123.9 | 176.2 | 37.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1615 | I | 28.5 | Very low | 30.7 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 66.8 | 129 | 136.9 | -60.4 | 169.7 | 0 | 0 | 0 | 117 | ||||
| 1616 | Q | 27.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | -168 | 157 | 52.5 | -146.4 | 166.5 | 48.3 | 0 | 0 | 115.3 | |||||
| 1617 | A | 26.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | trans | 54.8 | 129.1 | 143 | 0 | 0 | 0 | 0 | 0 | 127 | ||||
| 1618 | N | 26.9 | Very low | 30.7 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 63.8 | 114.4 | 130.9 | -58 | -12.5 | 0 | 0 | 0 | 123.6 | ||||
| 1619 | H | 28.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | -166.2 | 161.7 | 95.2 | -108 | -100.7 | 0 | 0 | 0 | 111 | |||||
| 1620 | P | 38.9 | Very low | 30.5 | Very low | 104 Ų | 104 | 148 Ų | 148 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -141 | -146.7 | -143.4 | 39.8 | -17 | 0 | 0 | 0 | 116 | ||||
| 1621 | V | 31.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | 88.5 | 132.9 | 166.3 | -174.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1622 | N | 30.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -115 | 159.9 | 3.7 | -78.7 | -70.3 | 0 | 0 | 0 | 111.3 | ||||
| 1623 | Y | 30.3 | Very low | 30.8 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | cis | 72.4 | 142 | 40.4 | -79.8 | -56.7 | 0 | 0 | 0 | 115.5 | ||||
| 1624 | R | 30.3 | Very low | 31 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 85% | 0.849 | 75% | 0.748 | S | S | * | * | cis | -153.2 | 170.4 | 12.5 | -124.5 | -164.1 | 177.7 | 159.6 | 0.7 | 113.8 | ||||
| 1625 | P | 42.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -127.3 | -170.5 | -171.7 | 45.8 | -33.4 | 0 | 0 | 0 | 117.5 | ||||
| 1626 | K | 32.1 | Very low | 31.5 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -166.7 | 164.2 | 162.4 | -102.5 | 175.8 | 179.1 | 178.7 | 0 | 109.7 | ||||
| 1627 | G | 29.9 | Very low | 31.7 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | cis | 112.9 | 130.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1628 | Q | 30.9 | Very low | 31.9 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -172 | 167.3 | -9.4 | -153.3 | -167.2 | 28.5 | 0 | 0 | 112.1 | ||||
| 1629 | Q | 32.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 94.6 | 122.1 | 151.6 | -67.3 | -169.8 | 25.1 | 0 | 0 | 125.5 | ||||
| 1630 | N | 30 | Very low | 32.3 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | 93.7 | 126.2 | 129.7 | -66.3 | 3.6 | 0 | 0 | 0 | 126.5 | |||||
| 1631 | N | 31.8 | Very low | 31.8 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 94.4 | 104.1 | 143.1 | -67.2 | 6.8 | 0 | 0 | 0 | 124.5 | ||||
| 1632 | N | 32.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 155.1 Ų | 155.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 86.7 | 135.8 | 133.6 | -65.2 | 3.9 | 0 | 0 | 0 | 124.7 | ||||
| 1633 | N | 31 | Very low | 31.6 | Very low | 147 Ų | 147 | 160 Ų | 160 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 90.4 | 134.3 | 156.6 | -75.8 | 18.2 | 0 | 0 | 0 | 123.6 | ||||
| 1634 | E | 31.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 94.7 | 151.9 | -68.7 | -174.1 | -176.6 | 0 | 0 | 125.3 | ||||
| 1635 | T | 34 | Very low | 31.4 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 73.5 | 127.4 | 129.2 | 62.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1636 | K | 32.9 | Very low | 30.8 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 63.5 | 141.2 | 155.2 | -59 | 161.6 | -175.5 | 171.2 | 0 | 116.5 | ||||
| 1637 | N | 30.7 | Very low | 30.7 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | cis | -164.7 | 167.7 | -16.8 | -107.5 | 6 | 0 | 0 | 0 | 105.8 | ||||
| 1638 | Y | 31.1 | Very low | 30.9 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -144.3 | -142.9 | 6.6 | -131.6 | -31.4 | 0 | 0 | 0 | 110.3 | ||||
| 1639 | H | 32.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | -144.3 | 165 | -169.4 | -82.7 | -27.3 | 0 | 0 | 0 | 113.3 | ||||
| 1640 | K | 30.9 | Very low | 30.6 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | cis | -149 | 178.4 | 10.5 | -136.8 | 162.1 | -172.7 | -179.2 | 0 | 113 | ||||
| 1641 | F | 28 | Very low | 30.6 | Very low | 207 Ų | 207 | 146.8 Ų | 146.8 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -124.2 | 169.9 | -174.3 | -103.3 | -97.3 | 0 | 0 | 0 | 113.8 | ||||
| 1642 | S | 30.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -64.1 | 149.4 | -178.8 | 165.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1643 | R | 28 | Very low | 30.5 | Very low | 245 Ų | 245 | 146.1 Ų | 146.1 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -170 | 179.5 | 133.5 | -110.7 | 175.7 | -178.2 | -175.9 | -0.3 | 115.3 | ||||
| 1644 | V | 28 | Very low | 30.3 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -93.7 | 165.3 | -169.1 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1645 | S | 27.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -88.3 | -167.5 | 175.1 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1646 | S | 30.6 | Very low | 30 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | cis | -137.7 | -156.2 | 16.2 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1647 | S | 29.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -158.4 | 158.1 | -156.1 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1648 | S | 33.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -150.2 | 171.4 | 165.7 | 56 | 0 | 0 | 0 | 0 | 112 | ||||
| 1649 | V | 29.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | trans | -142.3 | 179.7 | -143 | -173.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1650 | Y | 27.3 | Very low | 29 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 52% | 0.522 | 71% | 0.712 | S | S | . | * | trans | 98.8 | 150.4 | 163.5 | -68.1 | -70.9 | 0 | 0 | 0 | 116 | L778 S779 | L778-Y1650 HydrophobicContact CB-CE1 4.13Å; L778-Y1650 WeakPolarHBondContact CB-OH 3.19Å; L778-Y1650 HydrophobicContact CD1-CE1 4.09Å; S779-Y1650 PolarHBondContact O-OH 3.3Å | ||
| 1651 | Q | 29.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | cis | -146.4 | 178.4 | 15.3 | -135.4 | 154.3 | -84.9 | 0 | 0 | 108.8 | ||||
| 1652 | E | 25.5 | Very low | 29.2 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 59% | 0.593 | 70% | 0.702 | S | S | * | * | cis | -168 | -178.3 | 10 | -160.3 | 174.7 | -78.2 | 0 | 0 | 111 | ||||
| 1653 | Q | 36.5 | Very low | 29 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | trans | 75.2 | 100.2 | 154.9 | -56.7 | -160 | 6 | 0 | 0 | 123.3 | ||||
| 1654 | L | 26.9 | Very low | 29 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | 61.7 | 149 | 121.4 | -71.4 | 146.9 | 0 | 0 | 0 | 122 | H776 | H776-L1654 VanDerWaalsContact CD2-CD2 3.41Å; H776-L1654 WeakPolarHBondContact CD2-CD2 3.46Å | |||
| 1655 | P | 33.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | cis | -133.8 | 175.9 | -13.8 | 43 | -26.8 | 0 | 0 | 0 | 116.2 | ||||
| 1656 | S | 26.6 | Very low | 28.8 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | trans | -16.2 | 170 | 157.6 | 64.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1657 | V | 26.8 | Very low | 28.6 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | trans | 85.8 | 117.1 | 135.4 | 144.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1658 | T | 27.2 | Very low | 28.5 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 76% | 0.761 | 68% | 0.675 | S | S | * | * | trans | 61.8 | 157.4 | 153.1 | 59.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1659 | S | 24 | Very low | 28.5 | Very low | 85 Ų | 85 | 120.8 Ų | 120.8 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | cis | -171.9 | -161.8 | -26.5 | 59 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1660 | N | 27.8 | Very low | 28.8 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | trans | 74.3 | 83.4 | 158.1 | -57 | -6 | 0 | 0 | 0 | 118.6 | ||||
| 1661 | H | 26.8 | Very low | 29.1 | Very low | 179 Ų | 179 | 119.3 Ų | 119.3 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | -51 | 167.9 | 119.6 | -81 | -79.7 | 0 | 0 | 0 | 111.6 | |||||
| 1662 | P | 36.6 | Very low | 28.8 | Very low | 105 Ų | 105 | 116.6 Ų | 116.6 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | cis | -124.8 | -114.4 | -29.9 | 34.9 | -17.3 | 0 | 0 | 0 | 108.5 | ||||
| 1663 | I | 25.5 | Very low | 29.7 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | trans | 66.5 | 94 | 176.2 | -56.5 | 159.5 | 0 | 0 | 0 | 110.9 | ||||
| 1664 | A | 28.4 | Very low | 29.5 | Very low | 86 Ų | 86 | 119 Ų | 119 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | 56.1 | 167.1 | 58 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1665 | V | 25.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | trans | 57.3 | 92.2 | 176.3 | -169.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1666 | T | 27 | Very low | 29.4 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | cis | -170.9 | 120.5 | 43.9 | 7.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1667 | S | 26.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 131 Ų | 131 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | 68.6 | -180 | 124.3 | 82 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1668 | N | 26.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | 32.7 | 112.9 | 140.3 | -59.7 | -41.2 | 0 | 0 | 0 | 117.4 | ||||
| 1669 | K | 33.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | cis | -163.7 | 145.5 | 30.7 | -103.2 | 140.3 | -170.2 | 166.1 | 0 | 112.1 | P1671 | K1669-P1671 WeakPolarHBondContact O-CD 3.23Š| ||
| 1670 | S | 35.3 | Very low | 29.6 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 132.7 | 141.5 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1671 | P | 35.2 | Very low | 29.5 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | trans | -117.1 | 97.5 | 138.3 | 10.7 | 9.8 | 0 | 0 | 0 | 106 | K1669 | K1669-P1671 WeakPolarHBondContact O-CD 3.23Š| ||
| 1672 | C | 23.2 | Very low | 29.4 | Very low | 95 Ų | 95 | 131 Ų | 131 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | cis | 53.5 | 77.3 | 44.7 | -110.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1673 | K | 43.3 | Very low | 29.1 | Very low | 195 Ų | 195 | 132.6 Ų | 132.6 | 85% | 0.848 | 72% | 0.715 | S | S | * | * | trans | 48.3 | 107.7 | 138.1 | -59.6 | 174.1 | -179.7 | 174.7 | 0 | 118.1 | ||||
| 1674 | P | 32.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | -109 | 142.7 | 122.4 | 33.4 | -29.5 | 0 | 0 | 0 | 109.7 | |||||
| 1675 | K | 34 | Very low | 29 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | cis | -133.3 | 140.2 | -4.6 | -93.6 | 147.5 | -176.9 | 174.3 | 0 | 107.2 | ||||
| 1676 | K | 24.1 | Very low | 29.5 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 67% | 0.665 | 71% | 0.708 | S | S | * | * | 48 | 100.4 | 92.8 | -75.4 | -152.7 | 172.1 | -173 | 0 | 112.3 | |||||
| 1677 | Y | 24.3 | Very low | 29.7 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | 93.5 | 151.5 | 87.5 | -76.7 | -170.8 | 0 | 0 | 0 | 108.3 | |||||
| 1678 | N | 29.2 | Very low | 30 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 71% | 0.707 | S | S | * | * | cis | -163.8 | 170 | 44.6 | -141.9 | 5.4 | 0 | 0 | 0 | 111.7 | ||||
| 1679 | N | 30.7 | Very low | 30.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | trans | 57.3 | 116.8 | 150.3 | -70.7 | -15.9 | 0 | 0 | 0 | 119 | ||||
| 1680 | N | 25.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | 75.8 | 124.6 | 70.5 | -78.6 | -45.6 | 0 | 0 | 0 | 114.3 | |||||
| 1681 | Q | 24.9 | Very low | 29.9 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 71% | 0.705 | S | S | * | * | trans | 76.9 | 122.5 | 141.3 | -70.2 | -179.3 | 4.7 | 0 | 0 | 120.9 | ||||
| 1682 | N | 24.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | 59.6 | 96.8 | 122 | -50 | -11 | 0 | 0 | 0 | 119.8 | |||||
| 1683 | V | 30.6 | Very low | 30.2 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | -134 | 101.1 | 116.8 | -178.4 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 1684 | S | 28.1 | Very low | 29.6 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | 62.5 | 122 | 96.9 | -55.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1685 | N | 23.7 | Very low | 29.5 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | 64.2 | 138.7 | 82.6 | -128.7 | 13.8 | 0 | 0 | 0 | 111.5 | |||||
| 1686 | P | 36.5 | Very low | 29.4 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 70% | 0.696 | S | S | * | * | cis | -145 | 155.3 | 35.3 | 45.4 | -26.6 | 0 | 0 | 0 | 119 | ||||
| 1687 | H | 31.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 59% | 0.593 | 70% | 0.698 | S | S | * | * | 63.3 | 124.5 | 128.4 | -70.5 | -19.2 | 0 | 0 | 0 | 124.8 | |||||
| 1688 | Q | 32.1 | Very low | 30 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | 82.6 | 146.9 | 118 | -66.9 | 174.9 | 19.4 | 0 | 0 | 118.7 | |||||
| 1689 | T | 31 | Very low | 30 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 61% | 0.613 | 69% | 0.693 | S | S | * | * | cis | -163.5 | 153.4 | -5.7 | 17.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1690 | N | 31.9 | Very low | 29.8 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | trans | 67.1 | 147.7 | 140.3 | -69 | -14.5 | 0 | 0 | 0 | 121.1 | ||||
| 1691 | S | 31.8 | Very low | 29.8 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | cis | -170.2 | 179.3 | -13 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1692 | V | 32.4 | Very low | 29.9 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | 78.2 | 131.9 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1693 | L | 31.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 72% | 0.717 | 71% | 0.712 | S | S | * | * | S | Bend | cis | -158.9 | 140.7 | 8.1 | -160.9 | 154.4 | 0 | 0 | 0 | 107.3 | ||
| 1694 | R | 31.8 | Very low | 29.5 | Very low | 207 Ų | 207 | 134 Ų | 134 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | cis | -147.8 | 136.1 | -17.8 | -96.2 | 169.9 | -167 | 174.2 | 2.3 | 105.1 | ||||
| 1695 | K | 30.7 | Very low | 29.5 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | 61.9 | 134.8 | 85.8 | -70.3 | -159.6 | 174.6 | -164.9 | 0 | 117.4 | |||||
| 1696 | S | 30.9 | Very low | 29.7 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 53% | 0.531 | 71% | 0.714 | S | S | . | * | cis | 173.4 | 146.9 | -30.9 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1697 | H | 32.2 | Very low | 29.1 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | 160 | 115.7 | 124.3 | -79.8 | -51.3 | 0 | 0 | 0 | 112.8 | |||||
| 1698 | N | 29.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | 75.4 | 134.8 | 101 | -67.7 | 43 | 0 | 0 | 0 | 114.3 | |||||
| 1699 | H | 28.7 | Very low | 28.4 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | cis | -146.6 | 136.8 | -9.2 | -92.5 | -69 | 0 | 0 | 0 | 106.3 | ||||
| 1700 | E | 25.4 | Very low | 28.1 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | 54.3 | 108.2 | 86.8 | -70.2 | 176.5 | 139.2 | 0 | 0 | 116.7 | |||||
| 1701 | F | 27.3 | Very low | 27.9 | Very low | 204 Ų | 204 | 141 Ų | 141 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | -157.9 | 170.8 | 118.9 | -124.3 | -86.4 | 0 | 0 | 0 | 110.8 | |||||
| 1702 | E | 26.2 | Very low | 27.7 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -105.9 | 162.8 | -154.8 | -56.8 | 179.2 | 100.5 | 0 | 0 | 117.4 | ||||
| 1703 | S | 24.8 | Very low | 27.4 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 78.8 | 111.1 | 138.7 | 69.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1704 | S | 22.6 | Very low | 27.4 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | 74.5 | 144.5 | 124.8 | 71.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1705 | F | 28.1 | Very low | 27.1 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | trans | 62.6 | 157 | 172.7 | -54.1 | -81.7 | 0 | 0 | 0 | 116.3 | ||||
| 1706 | A | 25.9 | Very low | 27.1 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | cis | -159.3 | 159.4 | -37.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1707 | K | 24.1 | Very low | 26.9 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | 15.5 | 127.5 | 157.4 | -72.4 | -165.4 | 167.4 | -164.4 | 0 | 121.3 | ||||
| 1708 | D | 24.3 | Very low | 26.7 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | 58.6 | 133.8 | 121.2 | -44.9 | -32.8 | 0 | 0 | 0 | 122.1 | |||||
| 1709 | S | 24.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 95.1 | 128.4 | 140.7 | 75.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1710 | N | 24.8 | Very low | 26.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 50 | 108 | 146.3 | -58.3 | 2.3 | 0 | 0 | 0 | 120.3 | ||||
| 1711 | C | 28.3 | Very low | 27 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 128.1 | 154.1 | -63 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1712 | N | 27.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -118 | 157.8 | 164.5 | -132.9 | -19 | 0 | 0 | 0 | 110.1 | ||||
| 1713 | N | 25.9 | Very low | 27.2 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -51.2 | 174.1 | -162.4 | -83.6 | -38.3 | 0 | 0 | 0 | 120.9 | ||||
| 1714 | P | 32.1 | Very low | 27.7 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -121.1 | 173.3 | -157.2 | 43.6 | -32.7 | 0 | 0 | 0 | 117.3 | ||||
| 1715 | G | 25.8 | Very low | 28.4 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | 92 | 152.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1716 | I | 28.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | cis | -152.8 | 126.5 | 22.1 | -96.9 | 160.1 | 0 | 0 | 0 | 106.6 | ||||
| 1717 | I | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | 59.5 | 120.8 | 86.7 | -68.4 | 172 | 0 | 0 | 0 | 112.2 | |||||
| 1718 | N | 27.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 120.2 Ų | 120.2 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | cis | -148.9 | -151.6 | 0.8 | -128.1 | 42.4 | 0 | 0 | 0 | 108.7 | ||||
| 1719 | D | 28.2 | Very low | 29.7 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | cis | -157.5 | -149.4 | 8.3 | -157.8 | -101.3 | 0 | 0 | 0 | 110.8 | ||||
| 1720 | H | 33.9 | Very low | 29.9 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | 81 | 47.5 | 153.7 | -65.1 | -1.9 | 0 | 0 | 0 | 120.5 | ||||
| 1721 | T | 28 | Very low | 30.4 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 58% | 0.583 | 69% | 0.693 | S | S | * | * | 59.1 | 103.2 | 114.4 | 59.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1722 | S | 28.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 116.8 Ų | 116.8 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | 126.2 | 142.7 | 98.2 | 72.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 1723 | K | 29.2 | Very low | 31 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | trans | 52.8 | 109.1 | 143 | -68.8 | 169.2 | -173.5 | 170.5 | 0 | 120.8 | ||||
| 1724 | S | 35.8 | Very low | 31.2 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | -153.6 | 119.3 | 123.4 | 41.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1725 | A | 35.9 | Very low | 31.1 | Very low | 89 Ų | 89 | 114.7 Ų | 114.7 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | 85.5 | 134.9 | 93.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1726 | L | 32.6 | Very low | 31.1 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | cis | -165.3 | -176.1 | 2 | -97.7 | 158.9 | 0 | 0 | 0 | 107.5 | ||||
| 1727 | P | 34.6 | Very low | 31 | Very low | 66 Ų | 66 | 113 Ų | 113 | 43% | 0.429 | 67% | 0.671 | S | S | . | * | cis | -124.9 | -175.1 | -33.3 | 35.7 | -18.6 | 0 | 0 | 0 | 113.5 | V1752 K1753 S1754 | P1727-V1752 HydrophobicContact CG-CG1 4.04Å; P1727-V1752 WeakPolarHBondContact O-CG1 3.35Å; P1727-K1753 CarbonylContact O-C 3.52Å; P1727-K1753 VanDerWaalsContact O-C 3.22Å; P1727-K1753 WeakPolarHBondContact O-CA 3.47Å; P1727-K1753 WeakPolarHBondContact O-CB 3.15Å; P1727-K1753 PolarHBondContact O-N 2.68Å; P1727-S1754 WeakPolarHBondContact CA-OG 3.26Å; P1727-S1754 PolarHBondContact O-N 2.69Å; P1727-S1754 PolarHBondContact O-OG 2.7Å | ||
| 1728 | S | 32.8 | Very low | 31.2 | Very low | 66 Ų | 66 | 112.5 Ų | 112.5 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | B | Isolated β-bridge | trans | -96.8 | 142.9 | -153.4 | 54.2 | 0 | 0 | 0 | 0 | 121.4 | V1752 K1753 S1754 | S1728-V1752 VanDerWaalsContact O-CB 3.26Å; S1728-V1752 WeakPolarHBondContact O-CB 3.34Å; S1728-V1752 WeakPolarHBondContact O-CG1 3.17Å; S1728-K1753 VanDerWaalsContact CA-C 3.47Å; S1728-S1754 WeakPolarHBondContact CA-OG 3.34Å; S1728-S1754 WeakPolarHBondContact CB-O 3.49Å; S1728-S1754 PolarHBondContact N-OG 2.81Å; S1728-S1754 VanDerWaalsContact N-OG 3.15Å |
| 1729 | S | 29.2 | Very low | 31.6 | Very low | 80 Ų | 80 | 113 Ų | 113 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | trans | 52.5 | 153 | 151 | 58.2 | 0 | 0 | 0 | 0 | 125 | V1752 K1753 | S1729-V1752 CarbonylContact C-O 3.58Å; S1729-V1752 WeakPolarHBondContact CA-O 3.27Å; S1729-V1752 WeakPolarHBondContact O-CA 3.44Å; S1729-V1752 WeakPolarHBondContact O-CB 3.38Å; S1729-V1752 PolarHBondContact O-N 3.26Å; S1729-K1753 VanDerWaalsContact N-C 3.3Å; S1729-K1753 PolarHBondContact N-O 2.68Å | ||
| 1730 | G | 29.9 | Very low | 31.7 | Very low | 51 Ų | 51 | 112.5 Ų | 112.5 | 53% | 0.526 | 69% | 0.688 | S | S | . | * | trans | 178 | 141.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1751 | G1730-K1751 WeakPolarHBondContact CA-O 3.46Š| ||
| 1731 | N | 35.5 | Very low | 31.2 | Very low | 153 Ų | 153 | 115.2 Ų | 115.2 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -130.3 | 154.1 | -159.7 | -85.3 | -25.2 | 0 | 0 | 0 | 116.6 | ||||
| 1732 | Q | 34.1 | Very low | 31.2 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 71.1 | 133.7 | 145.2 | -75.4 | 176.2 | -9.2 | 0 | 0 | 124.7 | ||||
| 1733 | T | 33.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | trans | 74.7 | 103.5 | 140.1 | 51.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1734 | N | 31.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | 45.8 | 125.2 | 117.6 | -62.2 | 4.1 | 0 | 0 | 0 | 125.9 | |||||
| 1735 | S | 30 | Very low | 31.2 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 55.1 | 142.6 | 137 | 67.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1736 | C | 24.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 66% | 0.655 | 70% | 0.698 | S | S | * | * | trans | -163.4 | 168.5 | 178.9 | -92.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1737 | S | 28.5 | Very low | 30.9 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | cis | 177.6 | 151.6 | -18.6 | 54.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1738 | T | 31.5 | Very low | 30.6 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | cis | -172.2 | 116.7 | -45.5 | 18 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1739 | T | 37.1 | Very low | 30.7 | Very low | 147 Ų | 147 | 131 Ų | 131 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -140.8 | 128.7 | 170.9 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1740 | S | 28.9 | Very low | 30.6 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -161.9 | 150.6 | -9.1 | -166.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 1741 | Y | 24.9 | Very low | 30.5 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 86% | 0.863 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -92.2 | -162.5 | 1.4 | -60.8 | -96.5 | 0 | 0 | 0 | 110 | ||
| 1742 | R | 27.2 | Very low | 30.2 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -150.7 | 107.7 | 1.5 | -175.6 | -173.8 | -171.6 | 174.5 | 5.1 | 109.2 | ||
| 1743 | Q | 29.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 58.3 | 134 | 160.2 | -63.3 | 171.2 | -32.8 | 0 | 0 | 117.2 | ||||
| 1744 | K | 31 | Very low | 29.7 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | cis | -168.7 | 144.7 | 1.8 | -99.2 | 168.8 | 174.2 | -173.2 | 0 | 107.6 | ||||
| 1745 | Q | 31.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | trans | 56 | 159.4 | 141.6 | -64.7 | 164.4 | -49.6 | 0 | 0 | 120.7 | ||||
| 1746 | S | 30.2 | Very low | 29.6 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 52% | 0.517 | 71% | 0.705 | S | S | . | * | cis | -178.9 | 151 | -36 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1747 | N | 33.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | 79.6 | 121.5 | 151.9 | -59.2 | -13.3 | 0 | 0 | 0 | 123.9 | ||||
| 1748 | S | 28.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | 74.2 | 161.6 | 122.8 | -57 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1749 | P | 33.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | trans | -125.4 | -172.1 | -163.1 | 37.1 | -17.6 | 0 | 0 | 0 | 116.6 | ||||
| 1750 | V | 28.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | 128.1 | 116 | 148.4 | 175.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 1751 | K | 26.6 | Very low | 29.7 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | trans | 61.2 | 170.6 | 157.1 | -66.8 | 169.4 | -175.1 | 174.4 | 0 | 117 | G1730 | G1730-K1751 WeakPolarHBondContact CA-O 3.46Š| ||
| 1752 | V | 29.3 | Very low | 29.9 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 49% | 0.485 | 71% | 0.714 | S | S | . | * | cis | -134 | -159.2 | 19.9 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | P1727 S1728 S1729 | P1727-V1752 HydrophobicContact CG-CG1 4.04Å; P1727-V1752 WeakPolarHBondContact O-CG1 3.35Å; S1728-V1752 VanDerWaalsContact O-CB 3.26Å; S1728-V1752 WeakPolarHBondContact O-CB 3.34Å; S1728-V1752 WeakPolarHBondContact O-CG1 3.17Å; S1729-V1752 CarbonylContact C-O 3.58Å; S1729-V1752 WeakPolarHBondContact CA-O 3.27Å; S1729-V1752 WeakPolarHBondContact O-CA 3.44Å; S1729-V1752 WeakPolarHBondContact O-CB 3.38Å; S1729-V1752 PolarHBondContact O-N 3.26Å | ||
| 1753 | K | 27.5 | Very low | 30 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | B | Isolated β-bridge | trans | -113.5 | -104 | -153.4 | -126.8 | -177.5 | -178.5 | -174.9 | 0 | 119.8 | P1727 S1728 S1729 | P1727-K1753 CarbonylContact O-C 3.52Å; P1727-K1753 VanDerWaalsContact O-C 3.22Å; P1727-K1753 WeakPolarHBondContact O-CA 3.47Å; P1727-K1753 WeakPolarHBondContact O-CB 3.15Å; P1727-K1753 PolarHBondContact O-N 2.68Å; S1728-K1753 VanDerWaalsContact CA-C 3.47Å; S1729-K1753 VanDerWaalsContact N-C 3.3Å; S1729-K1753 PolarHBondContact N-O 2.68Å |
| 1754 | S | 30.3 | Very low | 30 | Very low | 41 Ų | 41 | 136.1 Ų | 136.1 | 29% | 0.287 | 71% | 0.714 | S | S | . | * | trans | -39.2 | 148 | -162.2 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | P1727 S1728 | P1727-S1754 WeakPolarHBondContact CA-OG 3.26Å; P1727-S1754 PolarHBondContact O-N 2.69Å; P1727-S1754 PolarHBondContact O-OG 2.7Å; S1728-S1754 WeakPolarHBondContact CA-OG 3.34Å; S1728-S1754 WeakPolarHBondContact CB-O 3.49Å; S1728-S1754 PolarHBondContact N-OG 2.81Å; S1728-S1754 VanDerWaalsContact N-OG 3.15Å | ||
| 1755 | N | 29.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | 69.5 | 128.5 | 50.5 | -67.2 | 2.8 | 0 | 0 | 0 | 114.2 | |||||
| 1756 | F | 28.8 | Very low | 29.7 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | -166.3 | 173 | 57.9 | -130.7 | -80 | 0 | 0 | 0 | 113.8 | |||||
| 1757 | Q | 29.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | trans | -75.2 | 156.6 | 176.6 | -52.9 | 149.5 | -65.4 | 0 | 0 | 115.3 | ||||
| 1758 | Q | 28.5 | Very low | 29.5 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | -164.9 | 167.6 | 115.6 | -110.2 | 166.2 | -33.8 | 0 | 0 | 112.9 | |||||
| 1759 | S | 27 | Very low | 29.5 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -130.5 | -157.6 | -164.2 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1760 | P | 41.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | -123.4 | 171.5 | -77.9 | 37.7 | -24 | 0 | 0 | 0 | 113.4 | |||||
| 1761 | Q | 29.1 | Very low | 29.2 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 94% | 0.944 | 74% | 0.74 | S | S | * | * | trans | -147.3 | 165.9 | 154.5 | -114.2 | 176.6 | 18.5 | 0 | 0 | 112.2 | ||||
| 1762 | K | 29.1 | Very low | 29.4 | Very low | 202 Ų | 202 | 130.5 Ų | 130.5 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -116.2 | 161.1 | -161.9 | -63.6 | 179.3 | 175.2 | 177 | 0 | 113.7 | ||||
| 1763 | A | 29.2 | Very low | 29.4 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | 95.3 | 124.9 | 134.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1764 | K | 28.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | trans | 73.9 | 147.1 | 146.2 | -64.8 | 175.5 | 179 | -175.5 | 0 | 118.1 | ||||
| 1765 | C | 26.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -163 | 133.4 | -11.7 | -118.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1766 | S | 29.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 173.9 | 111.7 | 154.6 | 52 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1767 | V | 28.5 | Very low | 29.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | cis | 78 | 93.8 | 42.7 | -173.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1768 | S | 30.8 | Very low | 29.3 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -175.5 | 104.5 | 138.8 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1769 | N | 29.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 19.8 | 144.3 | 143.8 | -52.4 | -4.5 | 0 | 0 | 0 | 123.7 | ||||
| 1770 | G | 27 | Very low | 29.2 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 110.2 | 147.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1771 | C | 29.4 | Very low | 28.5 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | cis | -162.2 | 149.6 | -4.9 | -117.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1772 | V | 28.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | 41.8 | 98.2 | 137.3 | -176.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1773 | I | 30 | Very low | 28.4 | Very low | 147 Ų | 147 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 64.9 | 135.6 | 117.9 | -63.5 | 168.8 | 0 | 0 | 0 | 122.1 | |||||
| 1774 | D | 27.4 | Very low | 28.5 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 72 | 95.9 | 157.1 | -84.2 | -51.5 | 0 | 0 | 0 | 125 | ||||
| 1775 | S | 28.2 | Very low | 28.5 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | 65.1 | 165.7 | 104 | 80.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1776 | H | 27.1 | Very low | 28.5 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | 78.9 | 129.4 | 176.1 | -83.8 | -73.5 | 0 | 0 | 0 | 122.5 | ||||
| 1777 | E | 30.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -68.9 | 162.2 | 175.7 | -46.7 | 170.2 | 96.7 | 0 | 0 | 113.8 | ||||
| 1778 | K | 29.9 | Very low | 28.4 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -135.9 | 115.2 | 153.6 | -75.8 | -173.7 | 178.5 | 168.6 | 0 | 113.1 | ||||
| 1779 | R | 25.6 | Very low | 28.3 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -68.7 | 141.1 | 156.4 | -60.7 | 173.5 | 177.1 | 173.8 | -2.9 | 109.6 | ||||
| 1780 | K | 26.8 | Very low | 28.3 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | 169.9 | 147.8 | 111.4 | -92.3 | 173 | -178.4 | 179.7 | 0 | 114.8 | |||||
| 1781 | Y | 27.3 | Very low | 28.6 | Very low | 203 Ų | 203 | 145.1 Ų | 145.1 | 80% | 0.796 | 75% | 0.748 | S | S | * | * | trans | -53.8 | 159.9 | 166 | -62.1 | -90.8 | 0 | 0 | 0 | 114.2 | I1783 | Y1781-I1783 HydrophobicContact CD1-CG1 4.36Š| ||
| 1782 | P | 31.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | -123.6 | 156.7 | 74.1 | 28.5 | -13.3 | 0 | 0 | 0 | 113 | |||||
| 1783 | I | 25.8 | Very low | 29 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | cis | 74.5 | 89.6 | 38.3 | -54.1 | 168.1 | 0 | 0 | 0 | 114.1 | Y1781 | Y1781-I1783 HydrophobicContact CD1-CG1 4.36Š| ||
| 1784 | T | 30.8 | Very low | 29.1 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | 171.1 | 123.5 | 132.4 | 28.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1785 | E | 27.4 | Very low | 29.1 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | 65 | 142.3 | 65.7 | -76.5 | -148 | -144.3 | 0 | 0 | 115.4 | |||||
| 1786 | S | 27.4 | Very low | 29.3 | Very low | 73 Ų | 73 | 149.1 Ų | 149.1 | 51% | 0.51 | 75% | 0.751 | S | S | . | * | cis | -170.4 | 171 | -21 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1787 | N | 27.7 | Very low | 29.7 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 70.8 | 168 | 149.4 | -80.4 | -57.8 | 0 | 0 | 0 | 117.2 | ||||
| 1788 | K | 27.7 | Very low | 29.5 | Very low | 165 Ų | 165 | 151 Ų | 151 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | -163 | -179.1 | 12.2 | -136.7 | 156.6 | -159.8 | 163.7 | 0 | 113 | ||||
| 1789 | V | 28.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 147 Ų | 147 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | trans | 82.3 | 146.7 | 142.2 | 151.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1790 | N | 30.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | 149.5 | 152.3 | -26.5 | -88.4 | 1.6 | 0 | 0 | 0 | 108.3 | ||||
| 1791 | S | 32.5 | Very low | 30 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 178.6 | 150.9 | 132.2 | 42.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1792 | V | 34.3 | Very low | 30.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | -176.2 | 143.7 | 72.6 | 152.2 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 1793 | F | 32.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | cis | -170.8 | 174.6 | -13.5 | -118 | -36.8 | 0 | 0 | 0 | 105.5 | ||||
| 1794 | R | 31 | Very low | 30.2 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | cis | -165 | 139 | -6 | 175 | 179.8 | -62.8 | 155.8 | 1.9 | 107 | ||||
| 1795 | G | 28 | Very low | 30.7 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -161.8 | 134.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1796 | N | 32.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -65.6 | 166.2 | 175.3 | -72.6 | -55.5 | 0 | 0 | 0 | 112.7 | ||||
| 1797 | R | 34.1 | Very low | 31.2 | Very low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | cis | -165.2 | 174 | -6.8 | -112.2 | 168 | -157.8 | -164.6 | 1.4 | 110 | ||||
| 1798 | N | 27 | Very low | 31.3 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -86.4 | 177.8 | 172.3 | -92.1 | -21.6 | 0 | 0 | 0 | 114.4 | ||||
| 1799 | C | 30.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | 92.7 | 136.9 | 168.2 | -55.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1800 | Q | 32.2 | Very low | 31.5 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -141.9 | 164.6 | 14.6 | -59.6 | 179 | 15.8 | 0 | 0 | 113.3 | ||||
| 1801 | R | 30.4 | Very low | 31.4 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | trans | 44.1 | 142.9 | 139.6 | -73.2 | 168.9 | 172.8 | 162.8 | -10.7 | 120.8 | ||||
| 1802 | F | 32.1 | Very low | 31.2 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | cis | -141.6 | 165.7 | 0.7 | -82.3 | -83.9 | 0 | 0 | 0 | 107.2 | ||||
| 1803 | G | 29.6 | Very low | 31 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | 176.4 | 156.6 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1804 | C | 27.4 | Very low | 31 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 86% | 0.858 | 75% | 0.75 | S | S | * | * | trans | -73.9 | 171.1 | 165.1 | -99.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1805 | P | 41.2 | Very low | 31 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -128.4 | 178.3 | 25.5 | 45.3 | -29.9 | 0 | 0 | 0 | 113.5 | ||||
| 1806 | T | 31.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | cis | -158.9 | -168.7 | -0.3 | 5.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1807 | K | 32.5 | Very low | 31.1 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | cis | -153.3 | -176.3 | 9.5 | -137.3 | -177.9 | -179.6 | 175.6 | 0 | 112.7 | ||||
| 1808 | T | 29.9 | Very low | 31 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | trans | -61.7 | 166.2 | 167.7 | 51.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1809 | Q | 30.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -174.4 | 165.7 | -16.5 | -109.7 | 175.1 | -34.9 | 0 | 0 | 109.9 | ||||
| 1810 | L | 29.9 | Very low | 31.3 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | 45.3 | 114.6 | 141.3 | -68.1 | 166.2 | 0 | 0 | 0 | 122.4 | ||||
| 1811 | S | 29 | Very low | 31.3 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | 69.4 | 119.7 | 121.2 | 75.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1812 | N | 29 | Very low | 31.4 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | 78.5 | 124.1 | 124.8 | -66.1 | 11.3 | 0 | 0 | 0 | 121.7 | |||||
| 1813 | N | 29.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | 100.3 | 113.6 | 131.2 | -75.1 | 8.6 | 0 | 0 | 0 | 121.3 | ||||
| 1814 | V | 31.4 | Very low | 31.5 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | 92.6 | 97.2 | 124 | 172.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1815 | N | 31.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | 90 | 126.6 | 128.7 | -72.7 | 18.2 | 0 | 0 | 0 | 123.2 | |||||
| 1816 | N | 32.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | 93.9 | 103.6 | 131.6 | -70.3 | 14.2 | 0 | 0 | 0 | 121.9 | ||||
| 1817 | N | 31.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | 103.1 | 135.3 | 117.2 | -68.6 | 4.4 | 0 | 0 | 0 | 121.3 | |||||
| 1818 | N | 32.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | trans | 72 | 137.9 | 155.5 | -56.4 | -9.7 | 0 | 0 | 0 | 119 | ||||
| 1819 | G | 30.3 | Very low | 30.9 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | trans | 150.2 | 54.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1820 | H | 33 | Very low | 30.8 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | trans | 20.7 | 136.1 | 142.1 | -89 | -59.8 | 0 | 0 | 0 | 124.2 | ||||
| 1821 | L | 32 | Very low | 30.8 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | 88 | 129.6 | 130.3 | -67.7 | 167 | 0 | 0 | 0 | 123.8 | ||||
| 1822 | V | 32.2 | Very low | 30.9 | Very low | 104 Ų | 104 | 138 Ų | 138 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | 83.8 | 116.6 | 126.9 | 166 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1823 | D | 32.7 | Very low | 31 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | 44.8 | 158.7 | 121.9 | -42.5 | -25.2 | 0 | 0 | 0 | 121 | |||||
| 1824 | E | 31.3 | Very low | 31.1 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | cis | -166.4 | 165.6 | -6.6 | -129.4 | -167.2 | 160.7 | 0 | 0 | 109.7 | ||||
| 1825 | N | 32.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | 57.3 | 178 | 145.6 | -76.4 | -34.2 | 0 | 0 | 0 | 120.6 | ||||
| 1826 | L | 28.2 | Very low | 31.3 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | cis | -161.8 | 128.6 | -48.2 | -175 | 73.5 | 0 | 0 | 0 | 111.4 | ||||
| 1827 | V | 28 | Very low | 31.3 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 62% | 0.618 | 72% | 0.721 | S | S | * | * | trans | 33.8 | 118.1 | 154.7 | -176.2 | 0 | 0 | 0 | 0 | 121.4 | R1829 | V1827-R1829 HydrophobicContact CG1-CG 4.47Š| ||
| 1828 | K | 31.3 | Very low | 31.5 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | -174.9 | 128.8 | 128.1 | -94.6 | 143.3 | -171.3 | 171.2 | 0 | 108.5 | |||||
| 1829 | R | 30.9 | Very low | 31.5 | Very low | 210 Ų | 210 | 131 Ų | 131 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | cis | 96.6 | 106.7 | 42.8 | -86.4 | -165.1 | 174.9 | -177.8 | 1 | 114.5 | V1827 | V1827-R1829 HydrophobicContact CG1-CG 4.47Š| ||
| 1830 | L | 28 | Very low | 31.7 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 65% | 0.654 | 71% | 0.713 | S | S | * | * | trans | 84.9 | 139.5 | 134.7 | -65.9 | 169.9 | 0 | 0 | 0 | 122.8 | ||||
| 1831 | H | 29.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | 75.3 | 148.3 | 144.2 | -72.1 | -33.2 | 0 | 0 | 0 | 121 | ||||
| 1832 | N | 30.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | cis | -171 | 176.9 | -26.6 | -154.5 | 3.1 | 0 | 0 | 0 | 110.9 | ||||
| 1833 | M | 31.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | trans | 74.9 | 152.4 | 159.7 | -47.6 | -141.7 | 75.7 | 0 | 0 | 117 | ||||
| 1834 | S | 33.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | cis | -164 | -163.7 | -20.1 | 51.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1835 | T | 33 | Very low | 32 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | cis | -164.2 | 171.1 | 16.7 | -22.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1836 | T | 33.5 | Very low | 32 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 72% | 0.721 | S | S | * | * | trans | 64.4 | 154.6 | 158.5 | 44.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1837 | S | 33.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | cis | -165 | 168.7 | -18.7 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1838 | S | 34 | Very low | 32.4 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 53.9 | 130.9 | 151.5 | 54.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1839 | S | 33.7 | Very low | 32.5 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | cis | 172.2 | 154.6 | -8.5 | 39.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1840 | S | 34.3 | Very low | 32.6 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | -159.9 | -151.6 | -9.1 | 42 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1841 | Q | 33.2 | Very low | 32.8 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | -167.5 | 160.8 | 4.1 | -150.8 | 148.6 | -85.5 | 0 | 0 | 110.5 | ||||
| 1842 | S | 32.7 | Very low | 33 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 59.5 | 141.8 | 163.3 | 42.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1843 | S | 34.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | cis | -164.7 | 139.4 | -7.5 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1844 | N | 32.2 | Very low | 33.3 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 74.7 | 127.4 | 140.3 | -66.3 | -5.9 | 0 | 0 | 0 | 124.6 | ||||
| 1845 | N | 33.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 74 | 140.7 | 144.6 | -60 | -22.3 | 0 | 0 | 0 | 120.1 | ||||
| 1846 | K | 33.5 | Very low | 33.3 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -158.1 | 150 | -14.4 | -110.8 | -173.4 | -174.7 | 179.5 | 0 | 110.7 | ||||
| 1847 | Y | 34 | Very low | 33.3 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 13.5 | 132.3 | 157.3 | -65.7 | -74 | 0 | 0 | 0 | 123.4 | ||||
| 1848 | R | 30.3 | Very low | 33.3 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | 38.2 | 145.6 | 114.8 | -68.4 | -175.2 | 179.5 | 166.5 | -4 | 119.1 | |||||
| 1849 | Y | 33 | Very low | 33.2 | Very low | 286 Ų | 286 | 153.5 Ų | 153.5 | 100% | 1.122 | 77% | 0.767 | S | S | * | * | cis | -104.1 | 0 | 18 | -114.2 | -91.7 | 0 | 0 | 0 | 114.6 |
Retrieved 1,849 of 1,849 residues in 1507.5 ms
(Link to these results)