| 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 | 57.2 | Low | 69.4 | Low | 218 Ų | 218 | 103.7 Ų | 103.7 | 100% | 1.074 | 61% | 0.612 | S | S | * | * | 0 | -22.7 | 0 | -65.4 | 175.8 | 79.7 | 0 | 0 | 113.3 | |||||
| 2 | T | 58.7 | Low | 69 | Low | 125 Ų | 125 | 105 Ų | 105 | 77% | 0.767 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74 | -31.2 | -179.7 | 47.7 | 0 | 0 | 0 | 0 | 114.7 | A4 L6 | T2-A4 PolarHBondContact O-N 2.65Å; T2-L6 PolarHBondContact O-N 3.38Å |
| 3 | S | 65.6 | Low | 68.6 | Low | 99 Ų | 99 | 105.2 Ų | 105.2 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.4 | -32.2 | -179.7 | -169.4 | 0 | 0 | 0 | 0 | 113.9 | A7 | S3-A7 WeakPolarHBondContact O-CB 3.48Å; S3-A7 PolarHBondContact O-N 3.18Å |
| 4 | A | 70.9 | Confident | 67.9 | Low | 63 Ų | 63 | 107.4 Ų | 107.4 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -74.2 | -37.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T2 A7 L8 | T2-A4 PolarHBondContact O-N 2.65Å; A4-A7 PolarHBondContact O-N 3.43Å; A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 3.09Å |
| 5 | A | 72.8 | Confident | 67.4 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L8 L9 | A5-L8 PolarHBondContact O-N 3.45Å; A5-L9 WeakPolarHBondContact O-CB 3.33Å; A5-L9 PolarHBondContact O-N 3.48Å |
| 6 | L | 73.3 | Confident | 66.6 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -39.3 | 177.2 | -141.8 | 108.1 | 0 | 0 | 0 | 112 | T2 L9 L10 | T2-L6 PolarHBondContact O-N 3.38Å; L6-L9 PolarHBondContact O-N 3.03Å; L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.03Å |
| 7 | A | 75.6 | Confident | 65.5 | Low | 50 Ų | 50 | 106.2 Ų | 106.2 | 41% | 0.413 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.8 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3 A4 L10 L11 | S3-A7 WeakPolarHBondContact O-CB 3.48Å; S3-A7 PolarHBondContact O-N 3.18Å; A4-A7 PolarHBondContact O-N 3.43Å; A7-L10 PolarHBondContact O-N 3.01Å; A7-L11 WeakPolarHBondContact O-CB 3.31Å; A7-L11 PolarHBondContact O-N 3.31Å |
| 8 | L | 74.8 | Confident | 64.4 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.6 | -39.8 | 173.5 | -100.8 | 140.3 | 0 | 0 | 0 | 112.2 | A4 A5 L11 F12 | A4-L8 WeakPolarHBondContact O-CB 3.35Å; A4-L8 PolarHBondContact O-N 3.09Å; A5-L8 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 2.94Å; L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.82Å |
| 9 | L | 73.4 | Confident | 63.6 | Low | 111 Ų | 111 | 111.7 Ų | 111.7 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 175.9 | -160.1 | 87 | 0 | 0 | 0 | 111.7 | A5 L6 F12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.33Å; A5-L9 PolarHBondContact O-N 3.48Å; L6-L9 PolarHBondContact O-N 3.03Å; L9-F12 PolarHBondContact O-N 3.22Å; L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å |
| 10 | L | 71.4 | Confident | 62.8 | Low | 90 Ų | 90 | 111.3 Ų | 111.3 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.9 | -36 | 175.6 | -73.4 | 168.2 | 0 | 0 | 0 | 112.3 | L6 A7 L13 H14 | L6-L10 HydrophobicContact CD2-CD1 4.27Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.03Å; A7-L10 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-H14 WeakPolarHBondContact O-CB 3.46Å; L10-H14 PolarHBondContact O-N 2.82Å; L10-H14 PolarHBondContact O-ND1 3.41Å |
| 11 | L | 69.4 | Low | 62.4 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.6 | -43.6 | 170.8 | -104.9 | 151.6 | 0 | 0 | 0 | 111.4 | A7 L8 H14 V15 | A7-L11 WeakPolarHBondContact O-CB 3.31Å; A7-L11 PolarHBondContact O-N 3.31Å; L8-L11 PolarHBondContact O-N 2.94Å; L11-H14 PolarHBondContact O-N 3.36Å; L11-V15 WeakPolarHBondContact O-CB 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.25Å; L11-V15 PolarHBondContact O-N 3.43Å |
| 12 | F | 65.1 | Low | 62.4 | Low | 119 Ų | 119 | 109.2 Ų | 109.2 | 52% | 0.522 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.3 | -44.7 | 173.2 | -99.2 | -94.7 | 0 | 0 | 0 | 110.8 | L8 L9 H14 V15 F16 | L8-F12 HydrophobicContact CD2-CD2 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.19Å; L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 WeakPolarHBondContact O-CD2 3.44Å; L8-F12 PolarHBondContact O-N 2.82Å; L9-F12 PolarHBondContact O-N 3.22Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.06Å; F12-V15 PolarHBondContact O-N 2.83Å; F12-F16 AromaticContact CD1-CD2 3.86Å; F12-F16 HydrophobicContact CD1-CD2 3.86Å; F12-F16 AromaticContact CD1-CE2 3.49Å; F12-F16 HydrophobicContact CD1-CE2 3.49Å; F12-F16 VanDerWaalsContact CD1-CE2 3.49Å; F12-F16 AromaticContact CE1-CE2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 3.8Å; F12-F16 WeakPolarHBondContact O-CB 3.5Å; F12-F16 VanDerWaalsContact O-CD2 3.27Å; F12-F16 WeakPolarHBondContact O-CD2 3.33Å; F12-F16 PolarHBondContact O-N 3.46Å |
| 13 | L | 63.7 | Low | 62.5 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.5 | -29.5 | 176.1 | -71.7 | 166 | 0 | 0 | 0 | 113.1 | L9 L10 G17 | L9-L13 HydrophobicContact CD2-CD1 4.43Å; L9-L13 HydrophobicContact CG-CD1 4.4Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 3.36Å; L13-G17 VanDerWaalsContact O-CA 3.29Å; L13-G17 WeakPolarHBondContact O-CA 3.34Å; L13-G17 PolarHBondContact O-N 3.25Å |
| 14 | H | 58.8 | Low | 62.6 | Low | 135 Ų | 135 | 109.1 Ų | 109.1 | 63% | 0.625 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.4 | -37.1 | 172.1 | -85.5 | 60.1 | 0 | 0 | 0 | 112.6 | L10 L11 F12 G17 L18 | L10-H14 WeakPolarHBondContact O-CB 3.46Å; L10-H14 PolarHBondContact O-N 2.82Å; L10-H14 PolarHBondContact O-ND1 3.41Å; L11-H14 PolarHBondContact O-N 3.36Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.06Å; H14-G17 PolarHBondContact O-N 3.43Å; H14-L18 PolarHBondContact O-N 2.71Å |
| 15 | V | 60.2 | Low | 63 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.8 | -36.4 | 178 | 173 | 0 | 0 | 0 | 0 | 111.2 | L11 F12 | L11-V15 WeakPolarHBondContact O-CB 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.25Å; L11-V15 PolarHBondContact O-N 3.43Å; F12-V15 PolarHBondContact O-N 2.83Å |
| 16 | F | 55 | Low | 63.5 | Low | 148 Ų | 148 | 115.5 Ų | 115.5 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -85.4 | -14.7 | 173.3 | -78 | -85.3 | 0 | 0 | 0 | 113.5 | F12 | F12-F16 AromaticContact CD1-CD2 3.86Å; F12-F16 HydrophobicContact CD1-CD2 3.86Å; F12-F16 AromaticContact CD1-CE2 3.49Å; F12-F16 HydrophobicContact CD1-CE2 3.49Å; F12-F16 VanDerWaalsContact CD1-CE2 3.49Å; F12-F16 AromaticContact CE1-CE2 3.8Å; F12-F16 HydrophobicContact CE1-CE2 3.8Å; F12-F16 WeakPolarHBondContact O-CB 3.5Å; F12-F16 VanDerWaalsContact O-CD2 3.27Å; F12-F16 WeakPolarHBondContact O-CD2 3.33Å; F12-F16 PolarHBondContact O-N 3.46Å |
| 17 | G | 48.3 | Very low | 64.2 | Low | 54 Ų | 54 | 110.2 Ų | 110.2 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.7 | -11.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L13 H14 Q19 | L13-G17 VanDerWaalsContact O-CA 3.29Å; L13-G17 WeakPolarHBondContact O-CA 3.34Å; L13-G17 PolarHBondContact O-N 3.25Å; H14-G17 PolarHBondContact O-N 3.43Å; G17-Q19 PolarHBondContact O-N 3.26Å |
| 18 | L | 45.3 | Very low | 65 | Low | 151 Ų | 151 | 111 Ų | 111 | 79% | 0.791 | 59% | 0.588 | S | S | * | * | trans | -78.5 | 59.3 | 161.9 | -99 | 76.5 | 0 | 0 | 0 | 109.5 | H14 S20 | H14-L18 PolarHBondContact O-N 2.71Å; L18-S20 PolarHBondContact O-N 2.69Å; L18-S20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | Q | 48.6 | Very low | 65.8 | Low | 166 Ų | 166 | 106.9 Ų | 106.9 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | trans | -62.6 | 116.5 | 155.8 | -152.4 | 106.2 | 8.5 | 0 | 0 | 105 | G17 Q21 | G17-Q19 PolarHBondContact O-N 3.26Å; Q19-Q21 PolarHBondContact O-N 3.49Å | ||
| 20 | S | 47.3 | Very low | 66.8 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 72% | 0.72 | 56% | 0.564 | S | S | * | * | trans | -43.3 | 112.9 | 170.7 | 53.9 | 0 | 0 | 0 | 0 | 108.3 | L18 | L18-S20 PolarHBondContact O-N 2.69Å; L18-S20 VanDerWaalsContact O-N 3.16Å | ||
| 21 | Q | 54.3 | Low | 67.7 | Low | 174 Ų | 174 | 102.9 Ų | 102.9 | 81% | 0.813 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126.1 | 167.4 | -155.4 | 174.4 | -11 | 0 | 0 | 105.3 | Q19 D23 | Q19-Q21 PolarHBondContact O-N 3.49Å; Q21-D23 PolarHBondContact O-N 3.09Å |
| 22 | P | 57.4 | Low | 68.9 | Low | 112 Ų | 112 | 98.2 Ų | 98.2 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -55 | 121.4 | 179.5 | 21.5 | -30.6 | 0 | 0 | 0 | 106.6 | A24 | P22-A24 PolarHBondContact O-N 3.41Š|
| 23 | D | 60.6 | Low | 70.3 | Confident | 151 Ų | 151 | 94.7 Ų | 94.7 | 81% | 0.807 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -49 | 122.9 | 179.3 | -82.2 | -40 | 0 | 0 | 0 | 107.4 | Q21 V25 | Q21-D23 PolarHBondContact O-N 3.09Å; D23-V25 PolarHBondContact O-N 2.85Å |
| 24 | A | 68.4 | Low | 71.8 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | trans | -63.3 | 103 | -176.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P22 R26 S48 | P22-A24 PolarHBondContact O-N 3.41Å; A24-R26 PolarHBondContact O-N 3.45Å; A24-S48 VanDerWaalsContact CA-OG 3.31Å; A24-S48 WeakPolarHBondContact CA-OG 3.44Å | ||
| 25 | V | 78.4 | Confident | 73.5 | Confident | 72 Ų | 72 | 86.9 Ų | 86.9 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 116.9 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | D23 S48 | D23-V25 PolarHBondContact O-N 2.85Å; V25-S48 PolarHBondContact N-OG 3.47Å; V25-S48 PolarHBondContact O-N 2.95Å; V25-S48 VanDerWaalsContact O-N 3.14Å |
| 26 | R | 84.5 | Confident | 75 | Confident | 188 Ų | 188 | 83.1 Ų | 83.1 | 71% | 0.709 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 159.8 | 176.2 | -65.8 | -176.4 | -176.8 | -171.7 | 1.3 | 110.3 | A24 H28 | A24-R26 PolarHBondContact O-N 3.45Å; R26-H28 PolarHBondContact O-N 3.3Å; R26-H28 PolarHBondContact O-ND1 3.07Å |
| 27 | P | 88.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.013 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 132.8 | 170.2 | -24.2 | 32.3 | 0 | 0 | 0 | 111.1 | S45 L52 L58 L106 Y115 | P27-S45 CarbonylContact C-O 3.38Å; P27-S45 WeakPolarHBondContact CA-O 3.07Å; P27-L52 HydrophobicContact CG-CD1 3.46Å; P27-L52 VanDerWaalsContact CG-CD1 3.46Å; P27-L58 HydrophobicContact CB-CD1 3.86Å; P27-L58 HydrophobicContact CB-CD2 3.96Å; P27-L58 HydrophobicContact CG-CD1 4.21Å; P27-L58 HydrophobicContact CG-CD2 4.07Å; P27-L106 HydrophobicContact CB-CD2 3.87Å; P27-Y115 HydrophobicContact CB-CD1 4.15Å; P27-Y115 HydrophobicContact CB-CD2 4.32Å; P27-Y115 HydrophobicContact CB-CG 3.94Å; P27-Y115 HydrophobicContact CG-CD1 3.83Å; P27-Y115 HydrophobicContact CG-CD2 4.41Å; P27-Y115 HydrophobicContact CG-CE1 3.98Å; P27-Y115 HydrophobicContact CG-CG 4.07Å; P27-Y115 WeakPolarHBondContact O-CB 3.44Å |
| 28 | H | 91.1 | Very high | 78.8 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.2 | -178.9 | 62.1 | -81.1 | 0 | 0 | 0 | 110.9 | R26 W44 S45 D116 | R26-H28 PolarHBondContact O-N 3.3Å; R26-H28 PolarHBondContact O-ND1 3.07Å; H28-W44 WeakPolarHBondContact O-CA 3.33Å; H28-W44 VanDerWaalsContact O-CB 3.3Å; H28-W44 WeakPolarHBondContact O-CB 3.15Å; H28-S45 PolarHBondContact N-O 2.89Å; H28-S45 PolarHBondContact O-N 3.28Å; H28-D116 WeakPolarHBondContact CA-OD2 3.27Å; H28-D116 HydrophobicContact CB-CB 4.4Å |
| 29 | L | 93.1 | Very high | 81.1 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.3 | 174.8 | -71.6 | 125.5 | 0 | 0 | 0 | 109.2 | L60 V104 L106 D116 I118 | L29-L60 HydrophobicContact CD2-CD1 3.99Å; L29-V104 HydrophobicContact CD2-CG1 4Å; L29-L106 HydrophobicContact CD1-CB 4.01Å; L29-L106 HydrophobicContact CG-CB 4.28Å; L29-D116 HydrophobicContact CD1-CB 3.88Å; L29-D116 PolarHBondContact N-OD2 3.46Å; L29-I118 HydrophobicContact CB-CD1 4.17Å; L29-I118 HydrophobicContact CB-CG2 4.4Å; L29-I118 HydrophobicContact CD1-CD1 4.41Å; L29-I118 HydrophobicContact CD1-CG1 4.16Å; L29-I118 HydrophobicContact CD1-CG2 4.2Å; L29-I118 HydrophobicContact CD2-CD1 3.96Å; L29-I118 HydrophobicContact CD2-CG1 4.39Å; L29-I118 HydrophobicContact CG-CD1 4.41Å |
| 30 | T | 92.6 | Very high | 83.3 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -25.9 | 178 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | R43 | T30-R43 PolarHBondContact N-O 2.92Å; T30-R43 VanDerWaalsContact OG1-C 3.22Å; T30-R43 VanDerWaalsContact OG1-CB 3.24Å; T30-R43 WeakPolarHBondContact OG1-CB 3.49Å; T30-R43 PolarHBondContact OG1-O 3.27Å; T30-R43 VanDerWaalsContact OG1-O 3.05Å |
| 31 | G | 92.1 | Very high | 85.6 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.3 | 164.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R43 | G31-R43 PolarHBondContact O-N 2.87Å |
| 32 | C | 94.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.7 | 170.6 | -58.3 | 0 | 0 | 0 | 0 | 109.2 | L41 C42 F120 L125 | C32-L41 CarbonylContact C-O 3.48Å; C32-L41 WeakPolarHBondContact CA-O 3.3Å; C32-C42 HydrophobicContact CB-CB 4.15Å; C32-C42 WeakPolarHBondContact CB-SG 3.47Å; C32-C42 WeakPolarHBondContact SG-CB 3.29Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.01Å; C32-F120 HydrophobicContact CB-CE1 4.16Å; C32-F120 HydrophobicContact CB-CZ 4.21Å; C32-L125 HydrophobicContact CB-CD1 3.51Å; C32-L125 HydrophobicContact CB-CD2 4.32Å |
| 33 | V | 94.4 | Very high | 89.3 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 137.9 | -177.2 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | F40 L41 Q127 | V33-F40 WeakPolarHBondContact O-CA 3.49Å; V33-L41 PolarHBondContact N-O 3.45Å; V33-L41 PolarHBondContact O-N 2.9Å; V33-Q127 HydrophobicContact CG1-CB 3.95Å |
| 34 | S | 94.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -115.6 | 129.6 | 168.7 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | M37 T39 L125 V126 Q127 | S34-M37 VanDerWaalsContact OG-CA 3.27Å; S34-M37 WeakPolarHBondContact OG-CA 3.44Å; S34-M37 PolarHBondContact OG-N 2.92Å; S34-T39 WeakPolarHBondContact CA-O 3.28Å; S34-T39 VanDerWaalsContact CB-O 3.29Å; S34-T39 WeakPolarHBondContact CB-O 3.43Å; S34-T39 PolarHBondContact OG-O 2.93Å; S34-L125 PolarHBondContact N-O 2.92Å; S34-V126 CarbonylContact O-C 3.55Å; S34-V126 WeakPolarHBondContact O-CA 3.35Å; S34-Q127 CarbonylContact O-C 3.51Å; S34-Q127 PolarHBondContact O-N 3.42Å |
| 35 | R | 93.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -89 | -36.9 | 177.8 | -63.7 | -53.9 | -160 | -179.9 | 5.5 | 112.6 | Q127 P128 D129 D221 | R35-Q127 WeakPolarHBondContact CD-O 3.32Å; R35-Q127 PolarHBondContact NH1-O 3.47Å; R35-P128 WeakPolarHBondContact O-CA 3.34Å; R35-D129 VanDerWaalsContact CD-OD1 3.23Å; R35-D129 WeakPolarHBondContact CD-OD1 3.25Å; R35-D129 IonicContact CZ-OD1 3.83Å; R35-D129 IonicContact NE-OD1 3.03Å; R35-D129 PolarHBondContact NE-OD1 3.47Å; R35-D221 IonicContact CZ-OD2 3.61Å; R35-D221 IonicContact NH1-OD2 3.72Å; R35-D221 IonicContact NH2-OD2 3.81Å; R35-D221 PolarHBondContact NH2-OD2 2.87Å |
| 36 | N | 92 | Very high | 92.2 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 11% | 0.112 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -120.3 | 3.7 | -171.3 | 65.4 | -16.6 | 0 | 0 | 0 | 114.4 | E38 T39 T159 W166 M167 | N36-E38 PolarHBondContact ND2-OE2 3.22Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 VanDerWaalsContact O-N 3.11Å; N36-E38 PolarHBondContact OD1-N 3.49Å; N36-T39 PolarHBondContact OD1-N 2.86Å; N36-T39 PolarHBondContact OD1-OG1 3.33Å; N36-T159 WeakPolarHBondContact CB-O 2.9Å; N36-W166 PolarHBondContact O-NE1 3.26Å; N36-W166 VanDerWaalsContact O-NE1 3.16Å; N36-M167 VanDerWaalsContact C-SD 3.58Å; N36-M167 HydrophobicContact CB-SD 4.47Å; N36-M167 VanDerWaalsContact O-SD 3.38Å |
| 37 | M | 91.8 | Very high | 92 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.054 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 63.1 | 8.2 | -174.1 | -161.1 | 170.5 | 173.1 | 0 | 0 | 114.7 | S34 V98 E123 V126 M213 | S34-M37 VanDerWaalsContact OG-CA 3.27Å; S34-M37 WeakPolarHBondContact OG-CA 3.44Å; S34-M37 PolarHBondContact OG-N 2.92Å; M37-V98 HydrophobicContact CE-CB 4.23Å; M37-V98 HydrophobicContact CE-CG1 4.13Å; M37-V98 HydrophobicContact CG-CG1 3.98Å; M37-V98 VanDerWaalsContact O-CG1 3.25Å; M37-V98 WeakPolarHBondContact O-CG1 3.14Å; M37-E123 HydrophobicContact CE-CB 4.21Å; M37-V126 HydrophobicContact CB-CG2 3.98Å; M37-V126 HydrophobicContact CG-CG2 3.89Å; M37-V126 HydrophobicContact SD-CG2 4.19Å; M37-M213 HydrophobicContact SD-CE 4.31Å; M37-M213 HydrophobicContact SD-SD 3.58Å |
| 38 | E | 92.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -113.1 | -24.9 | 177.5 | -56.3 | 170.2 | 148.7 | 0 | 0 | 112.3 | N36 E93 T96 W166 | N36-E38 PolarHBondContact ND2-OE2 3.22Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 VanDerWaalsContact O-N 3.11Å; N36-E38 PolarHBondContact OD1-N 3.49Å; E38-E93 HydrophobicContact CB-CG 4.26Å; E38-T96 WeakPolarHBondContact O-CB 3.44Å; E38-T96 WeakPolarHBondContact O-CG2 3.22Å; E38-T96 PolarHBondContact O-OG1 2.86Å; E38-W166 HydrophobicContact CG-CZ2 3.97Å; E38-W166 VanDerWaalsContact CG-NE1 3.35Å |
| 39 | T | 94.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | trans | -132.8 | 152.1 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 109.1 | S34 N36 F90 F91 E93 | S34-T39 WeakPolarHBondContact CA-O 3.28Å; S34-T39 VanDerWaalsContact CB-O 3.29Å; S34-T39 WeakPolarHBondContact CB-O 3.43Å; S34-T39 PolarHBondContact OG-O 2.93Å; N36-T39 PolarHBondContact OD1-N 2.86Å; N36-T39 PolarHBondContact OD1-OG1 3.33Å; T39-F90 HydrophobicContact CG2-CE2 4.47Å; T39-F90 HydrophobicContact CG2-CZ 3.94Å; T39-F91 WeakPolarHBondContact CA-O 3.41Å; T39-F91 VanDerWaalsContact CB-O 3.31Å; T39-F91 WeakPolarHBondContact CB-O 3.42Å; T39-E93 HydrophobicContact CG2-CG 4.08Å | ||
| 40 | F | 94.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.8 | 172.2 | 70.1 | -81.5 | 0 | 0 | 0 | 111.2 | V33 F91 T96 Y102 F120 L122 | V33-F40 WeakPolarHBondContact O-CA 3.49Å; F40-F91 HydrophobicContact CD1-CB 3.64Å; F40-F91 HydrophobicContact CD1-CD2 4.38Å; F40-F91 HydrophobicContact CD1-CG 4.07Å; F40-F91 HydrophobicContact CD2-CB 4.39Å; F40-F91 AromaticContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CE2 4.12Å; F40-F91 HydrophobicContact CD2-CG 4.11Å; F40-F91 HydrophobicContact CE1-CB 3.42Å; F40-F91 VanDerWaalsContact CE1-CB 3.42Å; F40-F91 AromaticContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD2 4.04Å; F40-F91 AromaticContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE2-CB 4.21Å; F40-F91 HydrophobicContact CE2-CD1 4.07Å; F40-F91 AromaticContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CE1 4.21Å; F40-F91 AromaticContact CE2-CE2 3.41Å; F40-F91 HydrophobicContact CE2-CE2 3.41Å; F40-F91 VanDerWaalsContact CE2-CE2 3.41Å; F40-F91 AromaticContact CE2-CG 3.56Å; F40-F91 HydrophobicContact CE2-CG 3.56Å; F40-F91 AromaticContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CG-CB 4.13Å; F40-F91 HydrophobicContact CG-CD2 4.2Å; F40-F91 HydrophobicContact CG-CG 4.35Å; F40-F91 HydrophobicContact CZ-CB 3.74Å; F40-F91 AromaticContact CZ-CD1 3.43Å; F40-F91 HydrophobicContact CZ-CD1 3.43Å; F40-F91 VanDerWaalsContact CZ-CD1 3.43Å; F40-F91 AromaticContact CZ-CD2 3.45Å; F40-F91 HydrophobicContact CZ-CD2 3.45Å; F40-F91 VanDerWaalsContact CZ-CD2 3.45Å; F40-F91 AromaticContact CZ-CE1 3.79Å; F40-F91 HydrophobicContact CZ-CE1 3.79Å; F40-F91 AromaticContact CZ-CE2 3.82Å; F40-F91 HydrophobicContact CZ-CE2 3.82Å; F40-F91 AromaticContact CZ-CG 3.24Å; F40-F91 HydrophobicContact CZ-CG 3.24Å; F40-F91 AromaticContact CZ-CZ 3.97Å; F40-F91 HydrophobicContact CZ-CZ 3.97Å; F40-F91 PolarHBondContact N-O 3Å; F40-F91 WeakPolarHBondContact O-CB 3.4Å; F40-F91 PolarHBondContact O-N 2.82Å; F40-T96 HydrophobicContact CD1-CG2 3.8Å; F40-T96 HydrophobicContact CE1-CG2 4.13Å; F40-Y102 HydrophobicContact CE1-CD1 4.46Å; F40-Y102 HydrophobicContact CE1-CE1 4.07Å; F40-Y102 AromaticContact CZ-CD1 3.92Å; F40-Y102 HydrophobicContact CZ-CD1 3.92Å; F40-Y102 AromaticContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CG 4.41Å; F40-F120 HydrophobicContact CD2-CZ 4.4Å; F40-F120 HydrophobicContact CE2-CE2 4.28Å; F40-F120 AromaticContact CE2-CZ 3.98Å; F40-F120 HydrophobicContact CE2-CZ 3.98Å; F40-L122 HydrophobicContact CB-CD2 4.45Å; F40-L122 HydrophobicContact CD1-CD2 3.54Å; F40-L122 HydrophobicContact CE1-CD2 3.81Å; F40-L122 HydrophobicContact CG-CD2 3.95Å; F40-L122 HydrophobicContact CZ-CD2 4.41Å |
| 41 | L | 94.8 | Very high | 86.8 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.6 | -178.3 | -177.4 | 79.6 | 0 | 0 | 0 | 108.4 | C32 V33 R43 E88 C89 F90 | C32-L41 CarbonylContact C-O 3.48Å; C32-L41 WeakPolarHBondContact CA-O 3.3Å; V33-L41 PolarHBondContact N-O 3.45Å; V33-L41 PolarHBondContact O-N 2.9Å; L41-R43 HydrophobicContact CD2-CG 4.32Å; L41-R43 HydrophobicContact CG-CG 4.47Å; L41-E88 HydrophobicContact CD1-CB 4.23Å; L41-C89 WeakPolarHBondContact CA-O 3.27Å; L41-C89 WeakPolarHBondContact CD1-O 3.39Å; L41-F90 HydrophobicContact CD1-CB 3.93Å; L41-F90 HydrophobicContact CD1-CD2 4.2Å |
| 42 | C | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.9 | 172.1 | -69.9 | 0 | 0 | 0 | 0 | 110.5 | C32 L60 C89 F91 | C32-C42 HydrophobicContact CB-CB 4.15Å; C32-C42 WeakPolarHBondContact CB-SG 3.47Å; C32-C42 WeakPolarHBondContact SG-CB 3.29Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.01Å; C42-L60 HydrophobicContact CB-CD1 3.92Å; C42-C89 PolarHBondContact N-O 3.45Å; C42-C89 PolarHBondContact O-N 3.37Å; C42-F91 HydrophobicContact CB-CE2 4.39Å |
| 43 | R | 94.6 | Very high | 83.4 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.4 | 179.8 | -58 | -168.8 | 169.3 | -179.5 | -12.4 | 110.7 | T30 G31 L41 E88 | T30-R43 PolarHBondContact N-O 2.92Å; T30-R43 VanDerWaalsContact OG1-C 3.22Å; T30-R43 VanDerWaalsContact OG1-CB 3.24Å; T30-R43 WeakPolarHBondContact OG1-CB 3.49Å; T30-R43 PolarHBondContact OG1-O 3.27Å; T30-R43 VanDerWaalsContact OG1-O 3.05Å; G31-R43 PolarHBondContact O-N 2.87Å; L41-R43 HydrophobicContact CD2-CG 4.32Å; L41-R43 HydrophobicContact CG-CG 4.47Å; R43-E88 HydrophobicContact CG-CB 4.48Å; R43-E88 HydrophobicContact CG-CG 3.91Å; R43-E88 VanDerWaalsContact CZ-CD 3.46Å; R43-E88 IonicContact CZ-OE1 3.67Å; R43-E88 IonicContact CZ-OE2 3.3Å; R43-E88 IonicContact NE-OE1 2.97Å; R43-E88 PolarHBondContact NE-OE1 3.37Å; R43-E88 IonicContact NE-OE2 3.06Å; R43-E88 PolarHBondContact NE-OE2 2.9Å; R43-E88 IonicContact NH1-OE1 3.48Å; R43-E88 VanDerWaalsContact NH2-CD 3.34Å; R43-E88 IonicContact NH2-OE1 2.99Å; R43-E88 PolarHBondContact NH2-OE1 2.98Å; R43-E88 IonicContact NH2-OE2 3.58Å; R43-E88 PolarHBondContact NH2-OE2 2.81Å |
| 44 | W | 93 | Very high | 81.7 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 162.7 | 174.8 | 61.5 | 92.4 | 0 | 0 | 0 | 111.5 | H28 L60 Y81 P86 D87 C89 L106 | H28-W44 WeakPolarHBondContact O-CA 3.33Å; H28-W44 VanDerWaalsContact O-CB 3.3Å; H28-W44 WeakPolarHBondContact O-CB 3.15Å; W44-L60 HydrophobicContact CE3-CD1 3.72Å; W44-L60 HydrophobicContact CH2-CB 4.46Å; W44-L60 HydrophobicContact CZ3-CB 4.21Å; W44-L60 HydrophobicContact CZ3-CD1 3.71Å; W44-Y81 AromaticContact CH2-CD1 3.71Å; W44-Y81 HydrophobicContact CH2-CD1 3.71Å; W44-Y81 AromaticContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CZ2-CD1 4.19Å; W44-Y81 AromaticContact CZ2-CE1 3.94Å; W44-Y81 HydrophobicContact CZ2-CE1 3.94Å; W44-P86 WeakPolarHBondContact CZ2-O 3.11Å; W44-D87 VanDerWaalsContact CD2-O 3.23Å; W44-D87 VanDerWaalsContact CE2-CA 3.47Å; W44-D87 VanDerWaalsContact CH2-C 3.48Å; W44-D87 VanDerWaalsContact CZ2-CA 3.47Å; W44-D87 WeakPolarHBondContact CZ3-O 3.43Å; W44-D87 PolarHBondContact N-O 3.43Å; W44-D87 VanDerWaalsContact N-O 3.15Å; W44-C89 HydrophobicContact CH2-CB 4.07Å; W44-C89 HydrophobicContact CZ3-CB 3.67Å; W44-L106 HydrophobicContact CB-CD1 4.23Å; W44-L106 HydrophobicContact CB-CD2 3.86Å; W44-L106 HydrophobicContact CD2-CD1 3.98Å; W44-L106 HydrophobicContact CG-CD1 3.75Å; W44-L106 HydrophobicContact CG-CD2 4.1Å |
| 45 | S | 90.4 | Very high | 79.8 | Confident | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.7 | 172.7 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | P27 H28 G47 | P27-S45 CarbonylContact C-O 3.38Å; P27-S45 WeakPolarHBondContact CA-O 3.07Å; H28-S45 PolarHBondContact N-O 2.89Å; H28-S45 PolarHBondContact O-N 3.28Å; S45-G47 PolarHBondContact O-N 3.47Å; S45-G47 PolarHBondContact OG-N 3.38Å |
| 46 | A | 85.3 | Confident | 78.2 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | trans | -72.4 | -8.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L58 | A46-L58 HydrophobicContact CB-CD1 4.05Š| ||
| 47 | G | 80.8 | Confident | 77.5 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -147.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S45 F49 | S45-G47 PolarHBondContact O-N 3.47Å; S45-G47 PolarHBondContact OG-N 3.38Å; G47-F49 VanDerWaalsContact C-N 3.25Å; G47-F49 PolarHBondContact O-N 2.93Å |
| 48 | S | 72.8 | Confident | 77.3 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 10.8 | 178.1 | 55 | 0 | 0 | 0 | 0 | 113.1 | A24 V25 Q50 | A24-S48 VanDerWaalsContact CA-OG 3.31Å; A24-S48 WeakPolarHBondContact CA-OG 3.44Å; V25-S48 PolarHBondContact N-OG 3.47Å; V25-S48 PolarHBondContact O-N 2.95Å; V25-S48 VanDerWaalsContact O-N 3.14Å; S48-Q50 PolarHBondContact O-N 3.32Å; S48-Q50 VanDerWaalsContact O-N 3.15Å |
| 49 | F | 66.1 | Low | 77.2 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 34% | 0.342 | 34% | 0.341 | S | S | . | . | trans | -80.9 | 96.2 | -175 | -158.1 | -93.2 | 0 | 0 | 0 | 110.7 | G47 N51 L52 | G47-F49 VanDerWaalsContact C-N 3.25Å; G47-F49 PolarHBondContact O-N 2.93Å; F49-N51 HydrophobicContact CD1-CB 4.07Å; F49-N51 HydrophobicContact CE1-CB 3.65Å; F49-N51 HydrophobicContact CZ-CB 4.38Å; F49-N51 PolarHBondContact O-N 3.37Å; F49-L52 HydrophobicContact CD1-CB 4.13Å; F49-L52 HydrophobicContact CD1-CD1 3.31Å; F49-L52 HydrophobicContact CD1-CG 3.48Å; F49-L52 VanDerWaalsContact CD1-CG 3.48Å; F49-L52 HydrophobicContact CE1-CD1 3.7Å; F49-L52 HydrophobicContact CE1-CG 3.72Å; F49-L52 HydrophobicContact CG-CD1 4.15Å | ||
| 50 | Q | 57.9 | Low | 77.2 | Confident | 168 Ų | 168 | 62.5 Ų | 62.5 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -70.1 | -7.9 | -175.1 | -62.7 | -173.4 | 20.6 | 0 | 0 | 115 | S48 T53 | S48-Q50 PolarHBondContact O-N 3.32Å; S48-Q50 VanDerWaalsContact O-N 3.15Å; Q50-T53 PolarHBondContact O-OG1 2.92Å |
| 51 | N | 58.9 | Low | 77.1 | Confident | 136 Ų | 136 | 62.6 Ų | 62.6 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -92.7 | 2.7 | -177.8 | -71.1 | -13.4 | 0 | 0 | 0 | 113.8 | F49 | F49-N51 HydrophobicContact CD1-CB 4.07Å; F49-N51 HydrophobicContact CE1-CB 3.65Å; F49-N51 HydrophobicContact CZ-CB 4.38Å; F49-N51 PolarHBondContact O-N 3.37Å |
| 52 | L | 61.1 | Low | 76.9 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -120.4 | 22.5 | -178.9 | -67.4 | 165.6 | 0 | 0 | 0 | 112.1 | P27 F49 E54 D57 L58 Y115 | P27-L52 HydrophobicContact CG-CD1 3.46Å; P27-L52 VanDerWaalsContact CG-CD1 3.46Å; F49-L52 HydrophobicContact CD1-CB 4.13Å; F49-L52 HydrophobicContact CD1-CD1 3.31Å; F49-L52 HydrophobicContact CD1-CG 3.48Å; F49-L52 VanDerWaalsContact CD1-CG 3.48Å; F49-L52 HydrophobicContact CE1-CD1 3.7Å; F49-L52 HydrophobicContact CE1-CG 3.72Å; F49-L52 HydrophobicContact CG-CD1 4.15Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.31Å; L52-D57 HydrophobicContact CD2-CB 3.82Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L52-Y115 HydrophobicContact CD1-CE1 4.24Å; L52-Y115 HydrophobicContact CD1-CE2 4.4Å |
| 53 | T | 54 | Low | 76.6 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 68% | 0.675 | 33% | 0.333 | S | S | * | . | trans | -80.3 | -4 | -169.4 | -34.9 | 0 | 0 | 0 | 0 | 113.3 | Q50 | Q50-T53 PolarHBondContact O-OG1 2.92Š| ||
| 54 | E | 57.6 | Low | 76.1 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 67% | 0.673 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -75 | 129.4 | 170.6 | -67.3 | -169.5 | -176.6 | 0 | 0 | 109.8 | L52 K56 D57 | L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.31Å; E54-K56 PolarHBondContact O-N 3.48Å; E54-D57 PolarHBondContact O-N 2.88Å |
| 55 | P | 54.2 | Low | 75.1 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 85.2 | 173.7 | 27.7 | -32.2 | 0 | 0 | 0 | 107.9 | P86 | P55-P86 HydrophobicContact CB-CB 4.28Å; P55-P86 HydrophobicContact CB-CG 4.08Å |
| 56 | K | 60.8 | Low | 73.8 | Confident | 146 Ų | 146 | 66.8 Ų | 66.8 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.1 | 7.4 | 166.4 | -89.8 | 164.6 | -173.5 | -177.1 | 0 | 113.9 | E54 R59 | E54-K56 PolarHBondContact O-N 3.48Å; K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 PolarHBondContact O-NH1 2.9Å; K56-R59 PolarHBondContact O-NH2 3.26Å |
| 57 | D | 77.7 | Confident | 72.5 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -84 | -23.9 | 180 | -72.5 | -21.6 | 0 | 0 | 0 | 114.7 | L52 E54 S108 R109 | L52-D57 HydrophobicContact CD2-CB 3.82Å; E54-D57 PolarHBondContact O-N 2.88Å; D57-S108 CarbonylContact O-C 3.54Å; D57-R109 PolarHBondContact O-N 2.97Å |
| 58 | L | 87.1 | Confident | 71 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.3 | 173 | -65.5 | 175 | 0 | 0 | 0 | 110.7 | P27 A46 L52 L106 Y115 | P27-L58 HydrophobicContact CB-CD1 3.86Å; P27-L58 HydrophobicContact CB-CD2 3.96Å; P27-L58 HydrophobicContact CG-CD1 4.21Å; P27-L58 HydrophobicContact CG-CD2 4.07Å; A46-L58 HydrophobicContact CB-CD1 4.05Å; L52-L58 HydrophobicContact CD1-CD2 4.19Å; L58-L106 HydrophobicContact CB-CD1 4.21Å; L58-Y115 HydrophobicContact CD2-CD2 3.66Å; L58-Y115 HydrophobicContact CD2-CE2 3.53Å |
| 59 | R | 89.9 | Confident | 69.9 | Low | 32 Ų | 32 | 78 Ų | 78 | 12% | 0.121 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.2 | 177.4 | -73.3 | -64.1 | -174.2 | -71.8 | -21.6 | 110.8 | K56 F61 E77 Y81 R107 | K56-R59 VanDerWaalsContact CG-NH2 3.33Å; K56-R59 PolarHBondContact O-NH1 2.9Å; K56-R59 PolarHBondContact O-NH2 3.26Å; R59-F61 HydrophobicContact CB-CD2 4.36Å; R59-F61 HydrophobicContact CB-CE2 3.58Å; R59-F61 HydrophobicContact CB-CZ 4.04Å; R59-E77 WeakPolarHBondContact CD-OE1 3.49Å; R59-E77 IonicContact NE-OE1 3.12Å; R59-E77 PolarHBondContact NE-OE1 3.5Å; R59-E77 VanDerWaalsContact NE-OE1 3.12Å; R59-Y81 WeakPolarHBondContact CD-OH 3.34Å; R59-R107 PolarHBondContact N-O 3.46Å; R59-R107 PolarHBondContact O-N 3.46Å |
| 60 | L | 93.4 | Very high | 69.1 | Low | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.6 | 177.5 | -171.3 | 145.1 | 0 | 0 | 0 | 108.6 | L29 C42 W44 C78 Y81 C89 F91 V104 Q105 | L29-L60 HydrophobicContact CD2-CD1 3.99Å; C42-L60 HydrophobicContact CB-CD1 3.92Å; W44-L60 HydrophobicContact CE3-CD1 3.72Å; W44-L60 HydrophobicContact CH2-CB 4.46Å; W44-L60 HydrophobicContact CZ3-CB 4.21Å; W44-L60 HydrophobicContact CZ3-CD1 3.71Å; L60-C78 HydrophobicContact CB-CB 4.32Å; L60-C78 HydrophobicContact CD2-CB 4.38Å; L60-C78 PolarHBondContact O-N 3.28Å; L60-Y81 PolarHBondContact N-OH 3.44Å; L60-C89 HydrophobicContact CD1-CB 4.18Å; L60-C89 HydrophobicContact CD2-CB 4.24Å; L60-F91 HydrophobicContact CD2-CE2 4.22Å; L60-F91 HydrophobicContact CD2-CZ 3.74Å; L60-V104 HydrophobicContact CD1-CG1 3.64Å; L60-V104 HydrophobicContact CD2-CG1 3.52Å; L60-V104 HydrophobicContact CG-CG1 3.49Å; L60-V104 VanDerWaalsContact CG-CG1 3.49Å; L60-Q105 WeakPolarHBondContact CA-O 3.32Å |
| 61 | F | 92.6 | Very high | 68.8 | Low | 5 Ų | 5 | 75.4 Ų | 75.4 | 2% | 0.022 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.7 | 174.8 | -65.9 | -86.2 | 0 | 0 | 0 | 108.9 | R59 W75 D76 E77 V104 Q105 R107 R111 | R59-F61 HydrophobicContact CB-CD2 4.36Å; R59-F61 HydrophobicContact CB-CE2 3.58Å; R59-F61 HydrophobicContact CB-CZ 4.04Å; F61-W75 HydrophobicContact CB-CE3 4.19Å; F61-D76 CarbonylContact C-O 3.59Å; F61-D76 VanDerWaalsContact CA-O 3.22Å; F61-D76 WeakPolarHBondContact CA-O 3.26Å; F61-E77 HydrophobicContact CD1-CB 4.14Å; F61-E77 HydrophobicContact CE1-CB 3.86Å; F61-E77 HydrophobicContact CE1-CG 4.07Å; F61-E77 HydrophobicContact CZ-CG 4.43Å; F61-V104 CarbonylContact O-C 3.57Å; F61-V104 WeakPolarHBondContact O-CA 3.21Å; F61-Q105 PolarHBondContact N-O 2.9Å; F61-Q105 PolarHBondContact O-N 3.46Å; F61-R107 HydrophobicContact CD2-CB 3.95Å; F61-R107 HydrophobicContact CD2-CG 4.1Å; F61-R107 HydrophobicContact CE2-CB 4.01Å; F61-R111 HydrophobicContact CE2-CG 4.05Å; F61-R111 HydrophobicContact CZ-CG 3.74Å |
| 62 | Y | 91.9 | Very high | 68.8 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 6% | 0.055 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 158.9 | 178.7 | 76.6 | -78.4 | 0 | 0 | 0 | 111.3 | D76 F91 H95 Y102 T103 | Y62-D76 HydrophobicContact CD1-CB 4.1Å; Y62-D76 WeakPolarHBondContact CD1-O 3.41Å; Y62-D76 HydrophobicContact CE1-CB 3.54Å; Y62-D76 HydrophobicContact CE2-CB 4.46Å; Y62-D76 PolarHBondContact N-O 2.63Å; Y62-D76 PolarHBondContact O-N 3.26Å; Y62-F91 AromaticContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CE1 3.47Å; Y62-F91 VanDerWaalsContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CZ 4.04Å; Y62-F91 AromaticContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CE1-CD1 4.47Å; Y62-F91 AromaticContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE2-CE1 4.14Å; Y62-F91 AromaticContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CZ 4.09Å; Y62-H95 PolarHBondContact OH-CD2 2.8Å; Y62-Y102 HydrophobicContact CD2-CD1 4.06Å; Y62-Y102 HydrophobicContact CD2-CE1 4.05Å; Y62-Y102 HydrophobicContact CE2-CE1 4.3Å; Y62-T103 CarbonylContact C-O 3.56Å; Y62-T103 VanDerWaalsContact CA-O 3.3Å; Y62-T103 WeakPolarHBondContact CA-O 3.38Å |
| 63 | F | 88.6 | Confident | 69.1 | Low | 31 Ų | 31 | 80.3 Ų | 80.3 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.4 | 175.6 | 169.7 | -108.3 | 0 | 0 | 0 | 108.9 | R65 T74 W75 Y102 T103 | F63-R65 HydrophobicContact CD1-CG 4.25Å; F63-R65 HydrophobicContact CE1-CB 4.47Å; F63-R65 HydrophobicContact CE1-CG 3.73Å; F63-T74 WeakPolarHBondContact CD2-O 3.4Å; F63-W75 HydrophobicContact CB-CD2 4.16Å; F63-W75 HydrophobicContact CB-CE3 3.79Å; F63-W75 HydrophobicContact CB-CH2 4.23Å; F63-W75 HydrophobicContact CB-CZ3 3.83Å; F63-Y102 WeakPolarHBondContact O-CA 3.26Å; F63-T103 PolarHBondContact N-O 2.76Å; F63-T103 PolarHBondContact O-N 2.74Å |
| 64 | N | 83.6 | Confident | 70.3 | Confident | 19 Ų | 19 | 78.4 Ų | 78.4 | 10% | 0.102 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.7 | 173 | -175.9 | -19.4 | 0 | 0 | 0 | 109.6 | V66 T100 Y102 | N64-V66 PolarHBondContact O-N 2.81Å; N64-V66 PolarHBondContact OD1-N 3.19Å; N64-T100 PolarHBondContact ND2-OG1 3.22Å; N64-T100 WeakPolarHBondContact OD1-CB 3.33Å; N64-T100 PolarHBondContact OD1-OG1 3.47Å; N64-Y102 HydrophobicContact CB-CD1 4.29Å; N64-Y102 HydrophobicContact CB-CE1 3.98Å; N64-Y102 PolarHBondContact ND2-OH 2.83Å |
| 65 | R | 71.9 | Confident | 71.7 | Confident | 144 Ų | 144 | 74.9 Ų | 74.9 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.8 | -178.1 | -67.4 | -176 | -175.1 | -175.3 | 3.7 | 115.2 | F63 S101 | F63-R65 HydrophobicContact CD1-CG 4.25Å; F63-R65 HydrophobicContact CE1-CB 4.47Å; F63-R65 HydrophobicContact CE1-CG 3.73Å; R65-S101 PolarHBondContact N-O 2.9Å; R65-S101 VanDerWaalsContact N-O 3.16Å |
| 66 | V | 63.4 | Low | 73.4 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11.9 | -175.7 | 164.7 | 0 | 0 | 0 | 0 | 114.9 | N64 L68 T100 | N64-V66 PolarHBondContact O-N 2.81Å; N64-V66 PolarHBondContact OD1-N 3.19Å; V66-L68 PolarHBondContact O-N 2.82Å; V66-T100 HydrophobicContact CB-CG2 3.82Å; V66-T100 HydrophobicContact CG1-CG2 4.25Å; V66-T100 HydrophobicContact CG2-CG2 3.21Å |
| 67 | L | 57.3 | Low | 74.8 | Confident | 119 Ų | 119 | 70.7 Ų | 70.7 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -74.5 | 71.1 | 166.8 | -60.8 | 179.5 | 0 | 0 | 0 | 110.2 | G69 | L67-G69 PolarHBondContact O-N 3.45Š|
| 68 | L | 49.8 | Very low | 75.6 | Confident | 167 Ų | 167 | 69.4 Ų | 69.4 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 112.6 | 175.8 | -79.8 | 151.1 | 0 | 0 | 0 | 110.3 | V66 | V66-L68 PolarHBondContact O-N 2.82Š|
| 69 | G | 49.8 | Very low | 75.8 | Confident | 83 Ų | 83 | 71 Ų | 71 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.9 | -23.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L67 | L67-G69 PolarHBondContact O-N 3.45Š|
| 70 | S | 49.2 | Very low | 76 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | trans | -96.2 | 124.3 | 176.6 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | D72 | S70-D72 PolarHBondContact O-N 2.94Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-O 3.44Å | ||
| 71 | S | 52.6 | Low | 75.8 | Confident | 121 Ų | 121 | 77.8 Ų | 77.8 | 85% | 0.846 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -60.1 | -10.1 | 162.5 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 72 | D | 58.3 | Low | 75.6 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 61% | 0.61 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -93.3 | 111.5 | 175.5 | -72.4 | -18.3 | 0 | 0 | 0 | 110.5 | S70 T74 | S70-D72 PolarHBondContact O-N 2.94Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-O 3.44Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.77Å |
| 73 | K | 66.8 | Low | 75.1 | Confident | 148 Ų | 148 | 84 Ų | 84 | 64% | 0.643 | 47% | 0.474 | S | S | * | . | trans | -65.4 | 90.6 | 166.6 | -62.3 | 177 | -178 | 179.8 | 0 | 108.1 | W75 | K73-W75 VanDerWaalsContact O-CD1 3.23Å; K73-W75 PolarHBondContact O-N 2.8Å | ||
| 74 | T | 79.7 | Confident | 74.8 | Confident | 70 Ų | 70 | 91 Ų | 91 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | trans | -74.9 | 106.1 | 173.3 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | F63 D72 | F63-T74 WeakPolarHBondContact CD2-O 3.4Å; D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 PolarHBondContact O-N 2.77Å | ||
| 75 | W | 87.1 | Confident | 74.7 | Confident | 69 Ų | 69 | 96 Ų | 96 | 26% | 0.261 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 121.3 | 176.4 | -69.1 | 89.7 | 0 | 0 | 0 | 109.8 | F61 F63 K73 T103 Q105 | F61-W75 HydrophobicContact CB-CE3 4.19Å; F63-W75 HydrophobicContact CB-CD2 4.16Å; F63-W75 HydrophobicContact CB-CE3 3.79Å; F63-W75 HydrophobicContact CB-CH2 4.23Å; F63-W75 HydrophobicContact CB-CZ3 3.83Å; K73-W75 VanDerWaalsContact O-CD1 3.23Å; K73-W75 PolarHBondContact O-N 2.8Å; W75-T103 HydrophobicContact CH2-CG2 3.71Å; W75-T103 HydrophobicContact CZ3-CG2 4.24Å; W75-Q105 HydrophobicContact CH2-CG 3.63Å; W75-Q105 HydrophobicContact CZ2-CG 4.48Å; W75-Q105 HydrophobicContact CZ3-CB 4.19Å; W75-Q105 HydrophobicContact CZ3-CG 3.65Å |
| 76 | D | 89.2 | Confident | 75.1 | Confident | 72 Ų | 72 | 92.5 Ų | 92.5 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.7 | 175.9 | -65.2 | -46.5 | 0 | 0 | 0 | 110 | F61 Y62 | F61-D76 CarbonylContact C-O 3.59Å; F61-D76 VanDerWaalsContact CA-O 3.22Å; F61-D76 WeakPolarHBondContact CA-O 3.26Å; Y62-D76 HydrophobicContact CD1-CB 4.1Å; Y62-D76 WeakPolarHBondContact CD1-O 3.41Å; Y62-D76 HydrophobicContact CE1-CB 3.54Å; Y62-D76 HydrophobicContact CE2-CB 4.46Å; Y62-D76 PolarHBondContact N-O 2.63Å; Y62-D76 PolarHBondContact O-N 3.26Å |
| 77 | E | 91.6 | Very high | 76.3 | Confident | 81 Ų | 81 | 92 Ų | 92 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 150.6 | 172.9 | -170.8 | 170.9 | 164.7 | 0 | 0 | 109.7 | R59 F61 | R59-E77 WeakPolarHBondContact CD-OE1 3.49Å; R59-E77 IonicContact NE-OE1 3.12Å; R59-E77 PolarHBondContact NE-OE1 3.5Å; R59-E77 VanDerWaalsContact NE-OE1 3.12Å; F61-E77 HydrophobicContact CD1-CB 4.14Å; F61-E77 HydrophobicContact CE1-CB 3.86Å; F61-E77 HydrophobicContact CE1-CG 4.07Å; F61-E77 HydrophobicContact CZ-CG 4.43Å |
| 78 | C | 93.2 | Very high | 78 | Confident | 10 Ų | 10 | 87 Ų | 87 | 7% | 0.068 | 49% | 0.489 | C | S | . | . | trans | -40.2 | 125.2 | 174.3 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | L60 Q80 Y81 C89 | L60-C78 HydrophobicContact CB-CB 4.32Å; L60-C78 HydrophobicContact CD2-CB 4.38Å; L60-C78 PolarHBondContact O-N 3.28Å; C78-Q80 PolarHBondContact O-N 3.48Å; C78-Q80 VanDerWaalsContact SG-C 3.54Å; C78-Q80 PolarHBondContact SG-O 2.82Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 HydrophobicContact CB-CE1 3.86Å; C78-Y81 HydrophobicContact CB-CE2 3.61Å; C78-Y81 WeakPolarHBondContact CB-OH 3.4Å; C78-C89 HydrophobicContact CB-CB 4.03Å; C78-C89 WeakPolarHBondContact CB-SG 3.45Å; C78-C89 VanDerWaalsContact SG-CA 3.56Å; C78-C89 WeakPolarHBondContact SG-CB 3.37Å; C78-C89 CovalentContact SG-SG 2.01Å; C78-C89 PolarHBondContact SG-SG 2.92Å | ||
| 79 | P | 91.9 | Very high | 80.1 | Confident | 48 Ų | 48 | 79 Ų | 79 | 31% | 0.312 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -69.3 | -36.2 | -175 | 25.1 | -31.9 | 0 | 0 | 0 | 112.1 | F90 F91 H95 | P79-F90 WeakPolarHBondContact CG-O 3.19Å; P79-F91 HydrophobicContact CG-CD1 3.91Å; P79-F91 HydrophobicContact CG-CE1 4.29Å; P79-F91 HydrophobicContact CG-CG 4.37Å; P79-H95 HydrophobicContact CG-CB 4.26Å |
| 80 | Q | 93.1 | Very high | 82.2 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 112.9 | 180 | -171.5 | 171.6 | -6.7 | 0 | 0 | 112.2 | C78 F90 | C78-Q80 PolarHBondContact O-N 3.48Å; C78-Q80 VanDerWaalsContact SG-C 3.54Å; C78-Q80 PolarHBondContact SG-O 2.82Å; Q80-F90 PolarHBondContact O-N 2.7Å |
| 81 | Y | 91.2 | Very high | 84.4 | Confident | 62 Ų | 62 | 75.2 Ų | 75.2 | 24% | 0.243 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 139 | 167.1 | -66.6 | -83 | 0 | 0 | 0 | 110 | W44 R59 L60 C78 E88 | W44-Y81 AromaticContact CH2-CD1 3.71Å; W44-Y81 HydrophobicContact CH2-CD1 3.71Å; W44-Y81 AromaticContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CH2-CE1 3.56Å; W44-Y81 HydrophobicContact CZ2-CD1 4.19Å; W44-Y81 AromaticContact CZ2-CE1 3.94Å; W44-Y81 HydrophobicContact CZ2-CE1 3.94Å; R59-Y81 WeakPolarHBondContact CD-OH 3.34Å; L60-Y81 PolarHBondContact N-OH 3.44Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 HydrophobicContact CB-CE1 3.86Å; C78-Y81 HydrophobicContact CB-CE2 3.61Å; C78-Y81 WeakPolarHBondContact CB-OH 3.4Å; Y81-E88 WeakPolarHBondContact CA-O 3.37Å |
| 82 | S | 87 | Confident | 86.3 | Confident | 40 Ų | 40 | 72.2 Ų | 72.2 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | trans | -67.8 | 138.9 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | R85 E88 | S82-R85 WeakPolarHBondContact CB-O 3.46Å; S82-R85 CarbonylContact O-C 3.51Å; S82-E88 PolarHBondContact N-O 2.95Å; S82-E88 VanDerWaalsContact N-O 3.08Å | ||
| 83 | A | 82.1 | Confident | 87.9 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 90% | 0.901 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -74.1 | -32.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 84 | E | 81.5 | Confident | 89.1 | Confident | 179 Ų | 179 | 72.5 Ų | 72.5 | 84% | 0.836 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -79.9 | -32.2 | 179.2 | -63.3 | -177.4 | -179.4 | 0 | 0 | 111.8 | ||
| 85 | R | 81.3 | Confident | 89.5 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 47% | 0.468 | 37% | 0.37 | S | S | . | . | trans | -137.6 | 97.3 | -174.3 | -72.8 | -172.5 | -176 | 174.8 | 2.2 | 110.7 | S82 D87 E88 | S82-R85 WeakPolarHBondContact CB-O 3.46Å; S82-R85 CarbonylContact O-C 3.51Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact O-N 3.11Å; R85-E88 HydrophobicContact CB-CB 4.44Å; R85-E88 HydrophobicContact CB-CG 3.8Å; R85-E88 WeakPolarHBondContact CD-OE1 3.43Å; R85-E88 IonicContact CZ-OE1 3.44Å; R85-E88 IonicContact NE-OE1 3.91Å; R85-E88 IonicContact NH1-OE1 2.65Å; R85-E88 PolarHBondContact NH1-OE1 3.38Å; R85-E88 PolarHBondContact O-N 2.83Å; R85-E88 VanDerWaalsContact O-N 3.14Å | ||
| 86 | P | 81.3 | Confident | 89.7 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.3 | -176.2 | 30 | -35.2 | 0 | 0 | 0 | 113.2 | W44 P55 E88 | W44-P86 WeakPolarHBondContact CZ2-O 3.11Å; P55-P86 HydrophobicContact CB-CB 4.28Å; P55-P86 HydrophobicContact CB-CG 4.08Å; P86-E88 VanDerWaalsContact C-N 3.3Å |
| 87 | D | 88.1 | Confident | 89.8 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 9.7 | 174.2 | 60.3 | -46 | 0 | 0 | 0 | 114 | W44 R85 | W44-D87 VanDerWaalsContact CD2-O 3.23Å; W44-D87 VanDerWaalsContact CE2-CA 3.47Å; W44-D87 VanDerWaalsContact CH2-C 3.48Å; W44-D87 VanDerWaalsContact CZ2-CA 3.47Å; W44-D87 WeakPolarHBondContact CZ3-O 3.43Å; W44-D87 PolarHBondContact N-O 3.43Å; W44-D87 VanDerWaalsContact N-O 3.15Å; R85-D87 WeakPolarHBondContact CB-OD1 3.46Å; R85-D87 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact O-N 3.11Å |
| 88 | E | 92.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.4 | 177.6 | -52 | -169.8 | -179.9 | 0 | 0 | 111.4 | L41 R43 Y81 S82 R85 P86 | L41-E88 HydrophobicContact CD1-CB 4.23Å; R43-E88 HydrophobicContact CG-CB 4.48Å; R43-E88 HydrophobicContact CG-CG 3.91Å; R43-E88 VanDerWaalsContact CZ-CD 3.46Å; R43-E88 IonicContact CZ-OE1 3.67Å; R43-E88 IonicContact CZ-OE2 3.3Å; R43-E88 IonicContact NE-OE1 2.97Å; R43-E88 PolarHBondContact NE-OE1 3.37Å; R43-E88 IonicContact NE-OE2 3.06Å; R43-E88 PolarHBondContact NE-OE2 2.9Å; R43-E88 IonicContact NH1-OE1 3.48Å; R43-E88 VanDerWaalsContact NH2-CD 3.34Å; R43-E88 IonicContact NH2-OE1 2.99Å; R43-E88 PolarHBondContact NH2-OE1 2.98Å; R43-E88 IonicContact NH2-OE2 3.58Å; R43-E88 PolarHBondContact NH2-OE2 2.81Å; Y81-E88 WeakPolarHBondContact CA-O 3.37Å; S82-E88 PolarHBondContact N-O 2.95Å; S82-E88 VanDerWaalsContact N-O 3.08Å; R85-E88 HydrophobicContact CB-CB 4.44Å; R85-E88 HydrophobicContact CB-CG 3.8Å; R85-E88 WeakPolarHBondContact CD-OE1 3.43Å; R85-E88 IonicContact CZ-OE1 3.44Å; R85-E88 IonicContact NE-OE1 3.91Å; R85-E88 IonicContact NH1-OE1 2.65Å; R85-E88 PolarHBondContact NH1-OE1 3.38Å; R85-E88 PolarHBondContact O-N 2.83Å; R85-E88 VanDerWaalsContact O-N 3.14Å; P86-E88 VanDerWaalsContact C-N 3.3Å |
| 89 | C | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.8 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L41 C42 W44 L60 C78 F91 | L41-C89 WeakPolarHBondContact CA-O 3.27Å; L41-C89 WeakPolarHBondContact CD1-O 3.39Å; C42-C89 PolarHBondContact N-O 3.45Å; C42-C89 PolarHBondContact O-N 3.37Å; W44-C89 HydrophobicContact CH2-CB 4.07Å; W44-C89 HydrophobicContact CZ3-CB 3.67Å; L60-C89 HydrophobicContact CD1-CB 4.18Å; L60-C89 HydrophobicContact CD2-CB 4.24Å; C78-C89 HydrophobicContact CB-CB 4.03Å; C78-C89 WeakPolarHBondContact CB-SG 3.45Å; C78-C89 VanDerWaalsContact SG-CA 3.56Å; C78-C89 WeakPolarHBondContact SG-CB 3.37Å; C78-C89 CovalentContact SG-SG 2.01Å; C78-C89 PolarHBondContact SG-SG 2.92Å; C89-F91 HydrophobicContact CB-CE2 4.3Å; C89-F91 VanDerWaalsContact SG-CE2 3.5Å |
| 90 | F | 94.9 | Very high | 88.9 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 31% | 0.311 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.5 | -178.9 | 179.4 | -104.7 | 0 | 0 | 0 | 111.4 | T39 L41 P79 Q80 N92 | T39-F90 HydrophobicContact CG2-CE2 4.47Å; T39-F90 HydrophobicContact CG2-CZ 3.94Å; L41-F90 HydrophobicContact CD1-CB 3.93Å; L41-F90 HydrophobicContact CD1-CD2 4.2Å; P79-F90 WeakPolarHBondContact CG-O 3.19Å; Q80-F90 PolarHBondContact O-N 2.7Å; F90-N92 HydrophobicContact CE1-CB 4.04Å |
| 91 | F | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 115.3 | 175.4 | -63.8 | -99.5 | 0 | 0 | 0 | 109.1 | T39 F40 C42 L60 Y62 P79 C89 H95 | T39-F91 WeakPolarHBondContact CA-O 3.41Å; T39-F91 VanDerWaalsContact CB-O 3.31Å; T39-F91 WeakPolarHBondContact CB-O 3.42Å; F40-F91 HydrophobicContact CD1-CB 3.64Å; F40-F91 HydrophobicContact CD1-CD2 4.38Å; F40-F91 HydrophobicContact CD1-CG 4.07Å; F40-F91 HydrophobicContact CD2-CB 4.39Å; F40-F91 AromaticContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CD2 3.62Å; F40-F91 HydrophobicContact CD2-CE2 4.12Å; F40-F91 HydrophobicContact CD2-CG 4.11Å; F40-F91 HydrophobicContact CE1-CB 3.42Å; F40-F91 VanDerWaalsContact CE1-CB 3.42Å; F40-F91 AromaticContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD1 3.87Å; F40-F91 HydrophobicContact CE1-CD2 4.04Å; F40-F91 AromaticContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE1-CG 3.51Å; F40-F91 HydrophobicContact CE2-CB 4.21Å; F40-F91 HydrophobicContact CE2-CD1 4.07Å; F40-F91 AromaticContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CD2 3.2Å; F40-F91 HydrophobicContact CE2-CE1 4.21Å; F40-F91 AromaticContact CE2-CE2 3.41Å; F40-F91 HydrophobicContact CE2-CE2 3.41Å; F40-F91 VanDerWaalsContact CE2-CE2 3.41Å; F40-F91 AromaticContact CE2-CG 3.56Å; F40-F91 HydrophobicContact CE2-CG 3.56Å; F40-F91 AromaticContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CE2-CZ 3.92Å; F40-F91 HydrophobicContact CG-CB 4.13Å; F40-F91 HydrophobicContact CG-CD2 4.2Å; F40-F91 HydrophobicContact CG-CG 4.35Å; F40-F91 HydrophobicContact CZ-CB 3.74Å; F40-F91 AromaticContact CZ-CD1 3.43Å; F40-F91 HydrophobicContact CZ-CD1 3.43Å; F40-F91 VanDerWaalsContact CZ-CD1 3.43Å; F40-F91 AromaticContact CZ-CD2 3.45Å; F40-F91 HydrophobicContact CZ-CD2 3.45Å; F40-F91 VanDerWaalsContact CZ-CD2 3.45Å; F40-F91 AromaticContact CZ-CE1 3.79Å; F40-F91 HydrophobicContact CZ-CE1 3.79Å; F40-F91 AromaticContact CZ-CE2 3.82Å; F40-F91 HydrophobicContact CZ-CE2 3.82Å; F40-F91 AromaticContact CZ-CG 3.24Å; F40-F91 HydrophobicContact CZ-CG 3.24Å; F40-F91 AromaticContact CZ-CZ 3.97Å; F40-F91 HydrophobicContact CZ-CZ 3.97Å; F40-F91 PolarHBondContact N-O 3Å; F40-F91 WeakPolarHBondContact O-CB 3.4Å; F40-F91 PolarHBondContact O-N 2.82Å; C42-F91 HydrophobicContact CB-CE2 4.39Å; L60-F91 HydrophobicContact CD2-CE2 4.22Å; L60-F91 HydrophobicContact CD2-CZ 3.74Å; Y62-F91 AromaticContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CE1 3.47Å; Y62-F91 VanDerWaalsContact CD1-CE1 3.47Å; Y62-F91 HydrophobicContact CD1-CZ 4.04Å; Y62-F91 AromaticContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CD2-CE1 3.9Å; Y62-F91 HydrophobicContact CE1-CD1 4.47Å; Y62-F91 AromaticContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE1-CE1 3.72Å; Y62-F91 HydrophobicContact CE2-CE1 4.14Å; Y62-F91 AromaticContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CE1 3.55Å; Y62-F91 HydrophobicContact CG-CZ 4.09Å; P79-F91 HydrophobicContact CG-CD1 3.91Å; P79-F91 HydrophobicContact CG-CE1 4.29Å; P79-F91 HydrophobicContact CG-CG 4.37Å; C89-F91 HydrophobicContact CB-CE2 4.3Å; C89-F91 VanDerWaalsContact SG-CE2 3.5Å; F91-H95 HydrophobicContact CD1-CB 4.34Å |
| 92 | N | 92.9 | Very high | 88.7 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | trans | -77.1 | 176.3 | 175.5 | 70.4 | -6.8 | 0 | 0 | 0 | 111.4 | F90 N94 H95 T96 | F90-N92 HydrophobicContact CE1-CB 4.04Å; N92-N94 PolarHBondContact O-N 3.27Å; N92-N94 PolarHBondContact OD1-N 2.69Å; N92-H95 PolarHBondContact O-N 2.87Å; N92-H95 VanDerWaalsContact O-N 3.08Å; N92-H95 PolarHBondContact OD1-N 3.45Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å; N92-H95 PolarHBondContact OD1-ND1 2.98Å; N92-T96 WeakPolarHBondContact O-CB 3.36Å; N92-T96 PolarHBondContact O-N 3.25Å; N92-T96 PolarHBondContact O-OG1 3.39Å | ||
| 93 | E | 92.2 | Very high | 89 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -54.7 | -35 | 178.3 | -65.8 | 165.3 | -147.2 | 0 | 0 | 112.7 | E38 T39 H95 T96 | E38-E93 HydrophobicContact CB-CG 4.26Å; T39-E93 HydrophobicContact CG2-CG 4.08Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.78Å; E93-T96 PolarHBondContact O-N 2.84Å; E93-T96 VanDerWaalsContact O-O 3.12Å |
| 94 | N | 91.2 | Very high | 89.5 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -70.9 | -25.4 | -179.1 | -171.8 | 56.5 | 0 | 0 | 0 | 113.9 | N92 | N92-N94 PolarHBondContact O-N 3.27Å; N92-N94 PolarHBondContact OD1-N 2.69Å |
| 95 | H | 89 | Confident | 90.1 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -104.9 | 6.9 | 178.1 | -59.2 | 93.3 | 0 | 0 | 0 | 112.3 | Y62 P79 F91 N92 E93 Y102 | Y62-H95 PolarHBondContact OH-CD2 2.8Å; P79-H95 HydrophobicContact CG-CB 4.26Å; F91-H95 HydrophobicContact CD1-CB 4.34Å; N92-H95 PolarHBondContact O-N 2.87Å; N92-H95 VanDerWaalsContact O-N 3.08Å; N92-H95 PolarHBondContact OD1-N 3.45Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å; N92-H95 PolarHBondContact OD1-ND1 2.98Å; E93-H95 VanDerWaalsContact C-N 3.33Å; E93-H95 PolarHBondContact O-N 2.78Å; H95-Y102 PolarHBondContact O-OH 3.31Å |
| 96 | T | 91.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | trans | -113.9 | 129.4 | -177.9 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | E38 F40 N92 E93 Y102 L122 | E38-T96 WeakPolarHBondContact O-CB 3.44Å; E38-T96 WeakPolarHBondContact O-CG2 3.22Å; E38-T96 PolarHBondContact O-OG1 2.86Å; F40-T96 HydrophobicContact CD1-CG2 3.8Å; F40-T96 HydrophobicContact CE1-CG2 4.13Å; N92-T96 WeakPolarHBondContact O-CB 3.36Å; N92-T96 PolarHBondContact O-N 3.25Å; N92-T96 PolarHBondContact O-OG1 3.39Å; E93-T96 PolarHBondContact O-N 2.84Å; E93-T96 VanDerWaalsContact O-O 3.12Å; T96-Y102 VanDerWaalsContact CA-OH 3.29Å; T96-Y102 WeakPolarHBondContact CA-OH 3.44Å; T96-L122 HydrophobicContact CG2-CD1 3.34Å; T96-L122 HydrophobicContact CG2-CD2 4.47Å | ||
| 97 | T | 89.6 | Confident | 91.2 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | trans | -134.9 | 118 | -179.8 | -46.8 | 0 | 0 | 0 | 0 | 109 | T100 Y102 L122 | T97-T100 HydrophobicContact CG2-CG2 3.47Å; T97-T100 VanDerWaalsContact CG2-CG2 3.47Å; T97-T100 WeakPolarHBondContact O-CB 3.35Å; T97-T100 WeakPolarHBondContact O-CG2 3.29Å; T97-T100 PolarHBondContact O-OG1 3.45Å; T97-Y102 PolarHBondContact N-OH 2.81Å; T97-L122 WeakPolarHBondContact O-CD1 3.32Å | ||
| 98 | V | 88.5 | Confident | 91.2 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 152.3 | -178.9 | -67.6 | 0 | 0 | 0 | 0 | 113 | M37 T100 W166 | M37-V98 HydrophobicContact CE-CB 4.23Å; M37-V98 HydrophobicContact CE-CG1 4.13Å; M37-V98 HydrophobicContact CG-CG1 3.98Å; M37-V98 VanDerWaalsContact O-CG1 3.25Å; M37-V98 WeakPolarHBondContact O-CG1 3.14Å; V98-T100 VanDerWaalsContact O-CG2 3.25Å; V98-T100 WeakPolarHBondContact O-CG2 3.18Å; V98-T100 PolarHBondContact O-N 3.34Å; V98-W166 HydrophobicContact CB-CH2 4.27Å; V98-W166 HydrophobicContact CG1-CH2 3.56Å; V98-W166 HydrophobicContact CG1-CZ2 3.52Å; V98-W166 HydrophobicContact CG2-CH2 3.8Å |
| 99 | W | 85.4 | Confident | 90.8 | Very high | 192 Ų | 192 | 49.9 Ų | 49.9 | 73% | 0.727 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 27.8 | -178.7 | -47.2 | -55.8 | 0 | 0 | 0 | 114 | ||
| 100 | T | 85.6 | Confident | 90.3 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.043 | 26% | 0.258 | C | S | . | . | trans | -118.5 | 148.4 | 178.4 | 75.5 | 0 | 0 | 0 | 0 | 110.8 | N64 V66 T97 V98 Y102 L122 | N64-T100 PolarHBondContact ND2-OG1 3.22Å; N64-T100 WeakPolarHBondContact OD1-CB 3.33Å; N64-T100 PolarHBondContact OD1-OG1 3.47Å; V66-T100 HydrophobicContact CB-CG2 3.82Å; V66-T100 HydrophobicContact CG1-CG2 4.25Å; V66-T100 HydrophobicContact CG2-CG2 3.21Å; T97-T100 HydrophobicContact CG2-CG2 3.47Å; T97-T100 VanDerWaalsContact CG2-CG2 3.47Å; T97-T100 WeakPolarHBondContact O-CB 3.35Å; T97-T100 WeakPolarHBondContact O-CG2 3.29Å; T97-T100 PolarHBondContact O-OG1 3.45Å; V98-T100 VanDerWaalsContact O-CG2 3.25Å; V98-T100 WeakPolarHBondContact O-CG2 3.18Å; V98-T100 PolarHBondContact O-N 3.34Å; T100-Y102 WeakPolarHBondContact OG1-CE2 3.24Å; T100-L122 PolarHBondContact O-N 2.95Å | ||
| 101 | S | 88.7 | Confident | 89.8 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 109.9 | R65 F120 | R65-S101 PolarHBondContact N-O 2.9Å; R65-S101 VanDerWaalsContact N-O 3.16Å; S101-F120 CarbonylContact C-O 3.53Å; S101-F120 WeakPolarHBondContact CA-O 3.3Å; S101-F120 PolarHBondContact OG-O 3.13Å |
| 102 | Y | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.5 | 174.4 | -76.6 | -99.1 | 0 | 0 | 0 | 109.6 | F40 Y62 F63 N64 H95 T96 T97 T100 S119 F120 L122 | F40-Y102 HydrophobicContact CE1-CD1 4.46Å; F40-Y102 HydrophobicContact CE1-CE1 4.07Å; F40-Y102 AromaticContact CZ-CD1 3.92Å; F40-Y102 HydrophobicContact CZ-CD1 3.92Å; F40-Y102 AromaticContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CE1 3.91Å; F40-Y102 HydrophobicContact CZ-CG 4.41Å; Y62-Y102 HydrophobicContact CD2-CD1 4.06Å; Y62-Y102 HydrophobicContact CD2-CE1 4.05Å; Y62-Y102 HydrophobicContact CE2-CE1 4.3Å; F63-Y102 WeakPolarHBondContact O-CA 3.26Å; N64-Y102 HydrophobicContact CB-CD1 4.29Å; N64-Y102 HydrophobicContact CB-CE1 3.98Å; N64-Y102 PolarHBondContact ND2-OH 2.83Å; H95-Y102 PolarHBondContact O-OH 3.31Å; T96-Y102 VanDerWaalsContact CA-OH 3.29Å; T96-Y102 WeakPolarHBondContact CA-OH 3.44Å; T97-Y102 PolarHBondContact N-OH 2.81Å; T100-Y102 WeakPolarHBondContact OG1-CE2 3.24Å; Y102-S119 CarbonylContact O-C 3.58Å; Y102-S119 VanDerWaalsContact O-CA 3.25Å; Y102-S119 WeakPolarHBondContact O-CA 3.41Å; Y102-F120 VanDerWaalsContact CB-CE2 3.5Å; Y102-F120 HydrophobicContact CD2-CE2 4.41Å; Y102-F120 HydrophobicContact CG-CE2 4.11Å; Y102-F120 PolarHBondContact N-O 2.76Å; Y102-F120 PolarHBondContact O-N 3.18Å; Y102-L122 HydrophobicContact CD2-CD1 4.43Å; Y102-L122 HydrophobicContact CD2-CD2 3.92Å; Y102-L122 HydrophobicContact CD2-CG 3.81Å; Y102-L122 HydrophobicContact CE2-CD1 3.7Å; Y102-L122 HydrophobicContact CE2-CD2 3.89Å; Y102-L122 HydrophobicContact CE2-CG 3.58Å |
| 103 | T | 92 | Very high | 89.1 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.6 | 163.9 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | Y62 F63 W75 E117 I118 S119 | Y62-T103 CarbonylContact C-O 3.56Å; Y62-T103 VanDerWaalsContact CA-O 3.3Å; Y62-T103 WeakPolarHBondContact CA-O 3.38Å; F63-T103 PolarHBondContact N-O 2.76Å; F63-T103 PolarHBondContact O-N 2.74Å; W75-T103 HydrophobicContact CH2-CG2 3.71Å; W75-T103 HydrophobicContact CZ3-CG2 4.24Å; T103-E117 HydrophobicContact CG2-CG 3.88Å; T103-E117 VanDerWaalsContact CG2-OE1 3.27Å; T103-E117 WeakPolarHBondContact CG2-OE1 3.25Å; T103-I118 CarbonylContact C-O 3.59Å; T103-I118 WeakPolarHBondContact CA-O 3.42Å; T103-S119 WeakPolarHBondContact CG2-OG 3.2Å; T103-S119 PolarHBondContact OG1-OG 2.81Å |
| 104 | V | 93.6 | Very high | 89 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | L29 L60 F61 E117 I118 F120 | L29-V104 HydrophobicContact CD2-CG1 4Å; L60-V104 HydrophobicContact CD1-CG1 3.64Å; L60-V104 HydrophobicContact CD2-CG1 3.52Å; L60-V104 HydrophobicContact CG-CG1 3.49Å; L60-V104 VanDerWaalsContact CG-CG1 3.49Å; F61-V104 CarbonylContact O-C 3.57Å; F61-V104 WeakPolarHBondContact O-CA 3.21Å; V104-E117 WeakPolarHBondContact O-CA 3.4Å; V104-I118 HydrophobicContact CB-CG1 4.08Å; V104-I118 PolarHBondContact N-O 3.15Å; V104-I118 PolarHBondContact O-N 3.5Å; V104-F120 HydrophobicContact CB-CE1 4.36Å; V104-F120 HydrophobicContact CG2-CE1 3.73Å; V104-F120 HydrophobicContact CG2-CZ 3.71Å |
| 105 | Q | 93.9 | Very high | 89 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.4 | -178.3 | -72.9 | -176.3 | -18.3 | 0 | 0 | 111 | L60 F61 W75 R107 L114 D116 E117 | L60-Q105 WeakPolarHBondContact CA-O 3.32Å; F61-Q105 PolarHBondContact N-O 2.9Å; F61-Q105 PolarHBondContact O-N 3.46Å; W75-Q105 HydrophobicContact CH2-CG 3.63Å; W75-Q105 HydrophobicContact CZ2-CG 4.48Å; W75-Q105 HydrophobicContact CZ3-CB 4.19Å; W75-Q105 HydrophobicContact CZ3-CG 3.65Å; Q105-R107 HydrophobicContact CB-CG 4.32Å; Q105-L114 HydrophobicContact CB-CD1 3.78Å; Q105-L114 HydrophobicContact CG-CD1 3.85Å; Q105-D116 WeakPolarHBondContact CA-O 3.33Å; Q105-E117 HydrophobicContact CG-CB 4.05Å; Q105-E117 HydrophobicContact CG-CG 3.77Å; Q105-E117 VanDerWaalsContact NE2-CD 3.34Å; Q105-E117 PolarHBondContact NE2-OE2 3.36Å |
| 106 | L | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.7 | 169.5 | -172.3 | 65.8 | 0 | 0 | 0 | 108.9 | P27 L29 W44 L58 Y115 D116 | P27-L106 HydrophobicContact CB-CD2 3.87Å; L29-L106 HydrophobicContact CD1-CB 4.01Å; L29-L106 HydrophobicContact CG-CB 4.28Å; W44-L106 HydrophobicContact CB-CD1 4.23Å; W44-L106 HydrophobicContact CB-CD2 3.86Å; W44-L106 HydrophobicContact CD2-CD1 3.98Å; W44-L106 HydrophobicContact CG-CD1 3.75Å; W44-L106 HydrophobicContact CG-CD2 4.1Å; L58-L106 HydrophobicContact CB-CD1 4.21Å; L106-Y115 PolarHBondContact O-N 2.78Å; L106-D116 HydrophobicContact CB-CB 4.41Å; L106-D116 PolarHBondContact N-O 3.25Å; L106-D116 PolarHBondContact O-N 2.99Å |
| 107 | R | 91.4 | Very high | 89.3 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 22% | 0.223 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 162.1 | -177.2 | -64.4 | -175.1 | 176 | -145.3 | 7.7 | 111.9 | R59 F61 Q105 R111 V113 L114 | R59-R107 PolarHBondContact N-O 3.46Å; R59-R107 PolarHBondContact O-N 3.46Å; F61-R107 HydrophobicContact CD2-CB 3.95Å; F61-R107 HydrophobicContact CD2-CG 4.1Å; F61-R107 HydrophobicContact CE2-CB 4.01Å; Q105-R107 HydrophobicContact CB-CG 4.32Å; R107-R111 PolarHBondContact NH1-O 2.85Å; R107-V113 VanDerWaalsContact CA-O 3.25Å; R107-V113 WeakPolarHBondContact CA-O 3.08Å; R107-L114 HydrophobicContact CG-CD1 3.89Å |
| 108 | S | 88.4 | Confident | 89.4 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 158 | 164.7 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | D57 D110 R111 T112 V113 | D57-S108 CarbonylContact O-C 3.54Å; S108-D110 WeakPolarHBondContact CB-OD1 3.48Å; S108-D110 PolarHBondContact O-N 3.47Å; S108-D110 PolarHBondContact OG-OD1 2.83Å; S108-R111 WeakPolarHBondContact O-CA 3.17Å; S108-R111 PolarHBondContact O-N 2.83Å; S108-T112 PolarHBondContact OG-N 2.74Å; S108-V113 PolarHBondContact N-O 2.78Å; S108-V113 PolarHBondContact OG-N 2.86Å; S108-V113 PolarHBondContact OG-O 3.38Å |
| 109 | R | 84.1 | Confident | 89.6 | Confident | 173 Ų | 173 | 60.4 Ų | 60.4 | 65% | 0.653 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -36.6 | 179.1 | -177.9 | -179.3 | 175.7 | -149.3 | -2.3 | 114 | D57 R111 | D57-R109 PolarHBondContact O-N 2.97Å; R109-R111 PolarHBondContact O-N 3.33Å |
| 110 | D | 84.4 | Confident | 90 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.5 | 177.4 | 66.6 | -20.9 | 0 | 0 | 0 | 113.4 | S108 T112 | S108-D110 WeakPolarHBondContact CB-OD1 3.48Å; S108-D110 PolarHBondContact O-N 3.47Å; S108-D110 PolarHBondContact OG-OD1 2.83Å; D110-T112 HydrophobicContact CB-CG2 4.22Å; D110-T112 PolarHBondContact O-N 2.87Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å; D110-T112 WeakPolarHBondContact OD2-CB 3.48Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.3Å; D110-T112 PolarHBondContact OD2-OG1 2.82Å |
| 111 | R | 85.4 | Confident | 90.2 | Very high | 137 Ų | 137 | 53.4 Ų | 53.4 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 63.8 | 8.7 | 179.6 | -51.2 | 177.8 | 178.8 | 176.7 | -4.5 | 114.9 | F61 R107 S108 R109 | F61-R111 HydrophobicContact CE2-CG 4.05Å; F61-R111 HydrophobicContact CZ-CG 3.74Å; R107-R111 PolarHBondContact NH1-O 2.85Å; S108-R111 WeakPolarHBondContact O-CA 3.17Å; S108-R111 PolarHBondContact O-N 2.83Å; R109-R111 PolarHBondContact O-N 3.33Å |
| 112 | T | 84.9 | Confident | 90.2 | Very high | 102 Ų | 102 | 52 Ų | 52 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | trans | -81.2 | -38.4 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | S108 D110 | S108-T112 PolarHBondContact OG-N 2.74Å; D110-T112 HydrophobicContact CB-CG2 4.22Å; D110-T112 PolarHBondContact O-N 2.87Å; D110-T112 VanDerWaalsContact O-N 3.15Å; D110-T112 PolarHBondContact OD1-N 2.8Å; D110-T112 PolarHBondContact OD1-OG1 2.92Å; D110-T112 WeakPolarHBondContact OD2-CB 3.48Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.3Å; D110-T112 PolarHBondContact OD2-OG1 2.82Å | ||
| 113 | V | 87.2 | Confident | 90.1 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 38% | 0.382 | 27% | 0.267 | S | S | . | . | trans | -101.8 | 121.2 | -178 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | R107 S108 Y115 | R107-V113 VanDerWaalsContact CA-O 3.25Å; R107-V113 WeakPolarHBondContact CA-O 3.08Å; S108-V113 PolarHBondContact N-O 2.78Å; S108-V113 PolarHBondContact OG-N 2.86Å; S108-V113 PolarHBondContact OG-O 3.38Å; V113-Y115 HydrophobicContact CB-CE2 4.34Å; V113-Y115 HydrophobicContact CG1-CD1 4.05Å; V113-Y115 HydrophobicContact CG1-CD2 4.46Å; V113-Y115 HydrophobicContact CG1-CE1 3.71Å; V113-Y115 HydrophobicContact CG1-CE2 4.15Å; V113-Y115 HydrophobicContact CG1-CG 4.41Å | ||
| 114 | L | 90.8 | Very high | 90 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.6 | 165.5 | -179.6 | 66.8 | 0 | 0 | 0 | 108.2 | Q105 R107 | Q105-L114 HydrophobicContact CB-CD1 3.78Å; Q105-L114 HydrophobicContact CG-CD1 3.85Å; R107-L114 HydrophobicContact CG-CD1 3.89Å |
| 115 | Y | 89.8 | Confident | 90 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -46.3 | 177.8 | -68.4 | -71.3 | 0 | 0 | 0 | 111.6 | P27 L52 L58 L106 V113 | P27-Y115 HydrophobicContact CB-CD1 4.15Å; P27-Y115 HydrophobicContact CB-CD2 4.32Å; P27-Y115 HydrophobicContact CB-CG 3.94Å; P27-Y115 HydrophobicContact CG-CD1 3.83Å; P27-Y115 HydrophobicContact CG-CD2 4.41Å; P27-Y115 HydrophobicContact CG-CE1 3.98Å; P27-Y115 HydrophobicContact CG-CG 4.07Å; P27-Y115 WeakPolarHBondContact O-CB 3.44Å; L52-Y115 HydrophobicContact CD1-CE1 4.24Å; L52-Y115 HydrophobicContact CD1-CE2 4.4Å; L58-Y115 HydrophobicContact CD2-CD2 3.66Å; L58-Y115 HydrophobicContact CD2-CE2 3.53Å; L106-Y115 PolarHBondContact O-N 2.78Å; V113-Y115 HydrophobicContact CB-CE2 4.34Å; V113-Y115 HydrophobicContact CG1-CD1 4.05Å; V113-Y115 HydrophobicContact CG1-CD2 4.46Å; V113-Y115 HydrophobicContact CG1-CE1 3.71Å; V113-Y115 HydrophobicContact CG1-CE2 4.15Å; V113-Y115 HydrophobicContact CG1-CG 4.41Å |
| 116 | D | 92.6 | Very high | 90 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 153.3 | -175.8 | -166.2 | 14.8 | 0 | 0 | 0 | 111.6 | H28 L29 Q105 L106 | H28-D116 WeakPolarHBondContact CA-OD2 3.27Å; H28-D116 HydrophobicContact CB-CB 4.4Å; L29-D116 HydrophobicContact CD1-CB 3.88Å; L29-D116 PolarHBondContact N-OD2 3.46Å; Q105-D116 WeakPolarHBondContact CA-O 3.33Å; L106-D116 HydrophobicContact CB-CB 4.41Å; L106-D116 PolarHBondContact N-O 3.25Å; L106-D116 PolarHBondContact O-N 2.99Å |
| 117 | E | 93.8 | Very high | 90.1 | Very high | 89 Ų | 89 | 61.4 Ų | 61.4 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 127.3 | -177.9 | 178.9 | 173 | 165.1 | 0 | 0 | 110.7 | T103 V104 Q105 | T103-E117 HydrophobicContact CG2-CG 3.88Å; T103-E117 VanDerWaalsContact CG2-OE1 3.27Å; T103-E117 WeakPolarHBondContact CG2-OE1 3.25Å; V104-E117 WeakPolarHBondContact O-CA 3.4Å; Q105-E117 HydrophobicContact CG-CB 4.05Å; Q105-E117 HydrophobicContact CG-CG 3.77Å; Q105-E117 VanDerWaalsContact NE2-CD 3.34Å; Q105-E117 PolarHBondContact NE2-OE2 3.36Å |
| 118 | I | 93.4 | Very high | 90.3 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.9 | 175.7 | 64.5 | 177.3 | 0 | 0 | 0 | 110.2 | L29 T103 V104 F120 | L29-I118 HydrophobicContact CB-CD1 4.17Å; L29-I118 HydrophobicContact CB-CG2 4.4Å; L29-I118 HydrophobicContact CD1-CD1 4.41Å; L29-I118 HydrophobicContact CD1-CG1 4.16Å; L29-I118 HydrophobicContact CD1-CG2 4.2Å; L29-I118 HydrophobicContact CD2-CD1 3.96Å; L29-I118 HydrophobicContact CD2-CG1 4.39Å; L29-I118 HydrophobicContact CG-CD1 4.41Å; T103-I118 CarbonylContact C-O 3.59Å; T103-I118 WeakPolarHBondContact CA-O 3.42Å; V104-I118 HydrophobicContact CB-CG1 4.08Å; V104-I118 PolarHBondContact N-O 3.15Å; V104-I118 PolarHBondContact O-N 3.5Å; I118-F120 HydrophobicContact CD1-CD1 4.03Å; I118-F120 HydrophobicContact CD1-CE1 3.83Å; I118-F120 HydrophobicContact CG1-CD1 4.07Å; I118-F120 HydrophobicContact CG1-CE1 3.98Å |
| 119 | S | 92.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.9 | 171.2 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | Y102 T103 | Y102-S119 CarbonylContact O-C 3.58Å; Y102-S119 VanDerWaalsContact O-CA 3.25Å; Y102-S119 WeakPolarHBondContact O-CA 3.41Å; T103-S119 WeakPolarHBondContact CG2-OG 3.2Å; T103-S119 PolarHBondContact OG1-OG 2.81Å |
| 120 | F | 92.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 54 Ų | 54 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 162.5 | -178.1 | 52.7 | -101 | 0 | 0 | 0 | 110.3 | C32 F40 S101 Y102 V104 I118 L122 L125 | C32-F120 HydrophobicContact CB-CE1 4.16Å; C32-F120 HydrophobicContact CB-CZ 4.21Å; F40-F120 HydrophobicContact CD2-CZ 4.4Å; F40-F120 HydrophobicContact CE2-CE2 4.28Å; F40-F120 AromaticContact CE2-CZ 3.98Å; F40-F120 HydrophobicContact CE2-CZ 3.98Å; S101-F120 CarbonylContact C-O 3.53Å; S101-F120 WeakPolarHBondContact CA-O 3.3Å; S101-F120 PolarHBondContact OG-O 3.13Å; Y102-F120 VanDerWaalsContact CB-CE2 3.5Å; Y102-F120 HydrophobicContact CD2-CE2 4.41Å; Y102-F120 HydrophobicContact CG-CE2 4.11Å; Y102-F120 PolarHBondContact N-O 2.76Å; Y102-F120 PolarHBondContact O-N 3.18Å; V104-F120 HydrophobicContact CB-CE1 4.36Å; V104-F120 HydrophobicContact CG2-CE1 3.73Å; V104-F120 HydrophobicContact CG2-CZ 3.71Å; I118-F120 HydrophobicContact CD1-CD1 4.03Å; I118-F120 HydrophobicContact CD1-CE1 3.83Å; I118-F120 HydrophobicContact CG1-CD1 4.07Å; I118-F120 HydrophobicContact CG1-CE1 3.98Å; F120-L122 HydrophobicContact CE2-CD2 4.2Å; F120-L125 HydrophobicContact CB-CD2 4.06Å; F120-L125 HydrophobicContact CB-CG 4.3Å; F120-L125 HydrophobicContact CD1-CD1 4.18Å; F120-L125 HydrophobicContact CD1-CD2 4.4Å; F120-L125 HydrophobicContact CD2-CD1 3.22Å; F120-L125 HydrophobicContact CD2-CD2 4.19Å; F120-L125 HydrophobicContact CD2-CG 3.67Å; F120-L125 HydrophobicContact CE1-CD1 4.12Å; F120-L125 HydrophobicContact CE2-CD1 3.15Å; F120-L125 HydrophobicContact CE2-CG 4.13Å; F120-L125 HydrophobicContact CG-CD1 3.76Å; F120-L125 HydrophobicContact CG-CD2 3.97Å; F120-L125 HydrophobicContact CG-CG 3.98Å; F120-L125 HydrophobicContact CZ-CD1 3.63Å |
| 121 | S | 90.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 149.2 | 162 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | E123 D124 | S121-E123 VanDerWaalsContact C-N 3.26Å; S121-E123 WeakPolarHBondContact CB-OE1 3.5Å; S121-E123 WeakPolarHBondContact CB-OE2 3.4Å; S121-E123 PolarHBondContact O-N 3.47Å; S121-D124 PolarHBondContact O-N 3.05Å |
| 122 | L | 89.4 | Confident | 92.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -60.8 | -36.1 | -175.8 | -75.6 | -174.1 | 0 | 0 | 0 | 113.2 | F40 T96 T97 T100 Y102 F120 D124 L125 V126 | F40-L122 HydrophobicContact CB-CD2 4.45Å; F40-L122 HydrophobicContact CD1-CD2 3.54Å; F40-L122 HydrophobicContact CE1-CD2 3.81Å; F40-L122 HydrophobicContact CG-CD2 3.95Å; F40-L122 HydrophobicContact CZ-CD2 4.41Å; T96-L122 HydrophobicContact CG2-CD1 3.34Å; T96-L122 HydrophobicContact CG2-CD2 4.47Å; T97-L122 WeakPolarHBondContact O-CD1 3.32Å; T100-L122 PolarHBondContact O-N 2.95Å; Y102-L122 HydrophobicContact CD2-CD1 4.43Å; Y102-L122 HydrophobicContact CD2-CD2 3.92Å; Y102-L122 HydrophobicContact CD2-CG 3.81Å; Y102-L122 HydrophobicContact CE2-CD1 3.7Å; Y102-L122 HydrophobicContact CE2-CD2 3.89Å; Y102-L122 HydrophobicContact CE2-CG 3.58Å; F120-L122 HydrophobicContact CE2-CD2 4.2Å; L122-D124 PolarHBondContact O-N 3.45Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.09Å; L122-V126 WeakPolarHBondContact O-CG2 3.33Å |
| 123 | E | 89.2 | Confident | 92.9 | Very high | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.5 | -30.1 | 178.7 | 57.6 | -88.9 | -160.7 | 0 | 0 | 113.6 | M37 S121 L125 M213 | M37-E123 HydrophobicContact CE-CB 4.21Å; S121-E123 VanDerWaalsContact C-N 3.26Å; S121-E123 WeakPolarHBondContact CB-OE1 3.5Å; S121-E123 WeakPolarHBondContact CB-OE2 3.4Å; S121-E123 PolarHBondContact O-N 3.47Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-M213 HydrophobicContact CB-CE 3.89Å; E123-M213 VanDerWaalsContact O-CE 3.31Å; E123-M213 WeakPolarHBondContact O-CE 3.4Å |
| 124 | D | 89.5 | Confident | 93.3 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -79 | -20.5 | -179.1 | -66.9 | -36.6 | 0 | 0 | 0 | 112.3 | S121 L122 | S121-D124 PolarHBondContact O-N 3.05Å; L122-D124 PolarHBondContact O-N 3.45Å |
| 125 | L | 92.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -88.7 | -4 | 179 | -60.2 | -170.2 | 0 | 0 | 0 | 113.7 | C32 S34 F120 L122 E123 Q127 | C32-L125 HydrophobicContact CB-CD1 3.51Å; C32-L125 HydrophobicContact CB-CD2 4.32Å; S34-L125 PolarHBondContact N-O 2.92Å; F120-L125 HydrophobicContact CB-CD2 4.06Å; F120-L125 HydrophobicContact CB-CG 4.3Å; F120-L125 HydrophobicContact CD1-CD1 4.18Å; F120-L125 HydrophobicContact CD1-CD2 4.4Å; F120-L125 HydrophobicContact CD2-CD1 3.22Å; F120-L125 HydrophobicContact CD2-CD2 4.19Å; F120-L125 HydrophobicContact CD2-CG 3.67Å; F120-L125 HydrophobicContact CE1-CD1 4.12Å; F120-L125 HydrophobicContact CE2-CD1 3.15Å; F120-L125 HydrophobicContact CE2-CG 4.13Å; F120-L125 HydrophobicContact CG-CD1 3.76Å; F120-L125 HydrophobicContact CG-CD2 3.97Å; F120-L125 HydrophobicContact CG-CG 3.98Å; F120-L125 HydrophobicContact CZ-CD1 3.63Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.09Å; E123-L125 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 VanDerWaalsContact O-N 3.07Å |
| 126 | V | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | 106.9 | -173.6 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | S34 M37 L122 P128 M167 M213 | S34-V126 CarbonylContact O-C 3.55Å; S34-V126 WeakPolarHBondContact O-CA 3.35Å; M37-V126 HydrophobicContact CB-CG2 3.98Å; M37-V126 HydrophobicContact CG-CG2 3.89Å; M37-V126 HydrophobicContact SD-CG2 4.19Å; L122-V126 WeakPolarHBondContact O-CG2 3.33Å; V126-P128 HydrophobicContact CG1-CG 4.16Å; V126-M167 HydrophobicContact CG1-CE 3.74Å; V126-M213 HydrophobicContact CB-CB 4.49Å; V126-M213 HydrophobicContact CB-CE 4.14Å; V126-M213 HydrophobicContact CB-SD 4.25Å; V126-M213 HydrophobicContact CG1-CB 4.09Å; V126-M213 HydrophobicContact CG1-SD 4.12Å; V126-M213 HydrophobicContact CG2-CE 4.04Å; V126-M213 HydrophobicContact CG2-SD 4.16Å |
| 127 | Q | 95.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | trans | -121.4 | 92.2 | 170.3 | -63.7 | -178 | -4.9 | 0 | 0 | 107.8 | V33 S34 R35 L125 D218 | V33-Q127 HydrophobicContact CG1-CB 3.95Å; S34-Q127 CarbonylContact O-C 3.51Å; S34-Q127 PolarHBondContact O-N 3.42Å; R35-Q127 WeakPolarHBondContact CD-O 3.32Å; R35-Q127 PolarHBondContact NH1-O 3.47Å; L125-Q127 PolarHBondContact O-N 3.16Å; L125-Q127 VanDerWaalsContact O-N 3.07Å; Q127-D218 HydrophobicContact CG-CB 3.77Å; Q127-D218 PolarHBondContact NE2-OD2 2.87Å | ||
| 128 | P | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 157.5 | -175.9 | -21.4 | 32.6 | 0 | 0 | 0 | 112.4 | R35 V126 M167 L169 G220 | R35-P128 WeakPolarHBondContact O-CA 3.34Å; V126-P128 HydrophobicContact CG1-CG 4.16Å; P128-M167 HydrophobicContact CG-CE 4.18Å; P128-L169 HydrophobicContact CB-CD2 4.26Å; P128-L169 HydrophobicContact CG-CD2 3.77Å; P128-G220 VanDerWaalsContact O-CA 3.24Å; P128-G220 WeakPolarHBondContact O-CA 3.41Å |
| 129 | D | 96.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 157.7 | 169.5 | -70.2 | -42.4 | 0 | 0 | 0 | 110.9 | R35 P157 T159 C211 | R35-D129 VanDerWaalsContact CD-OD1 3.23Å; R35-D129 WeakPolarHBondContact CD-OD1 3.25Å; R35-D129 IonicContact CZ-OD1 3.83Å; R35-D129 IonicContact NE-OD1 3.03Å; R35-D129 PolarHBondContact NE-OD1 3.47Å; D129-P157 HydrophobicContact CB-CB 3.97Å; D129-P157 HydrophobicContact CB-CG 4.5Å; D129-P157 WeakPolarHBondContact O-CG 3.49Å; D129-T159 WeakPolarHBondContact OD2-CB 3.31Å; D129-T159 WeakPolarHBondContact OD2-CG2 3.28Å; D129-T159 PolarHBondContact OD2-OG1 3.14Å; D129-C211 PolarHBondContact O-SG 2.85Å |
| 130 | P | 96.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 29% | 0.292 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 145.3 | -179.8 | 22.7 | -32.5 | 0 | 0 | 0 | 112.1 | D221 | P130-D221 WeakPolarHBondContact CB-O 2.97Å; P130-D221 HydrophobicContact CG-CB 4.47Å |
| 131 | P | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 146.4 | 169.6 | -20.5 | 32.7 | 0 | 0 | 0 | 111 | W154 R155 Y171 V209 C211 S223 | P131-W154 HydrophobicContact CB-CG 4.47Å; P131-R155 WeakPolarHBondContact CA-O 3.38Å; P131-R155 WeakPolarHBondContact CB-O 3.42Å; P131-Y171 HydrophobicContact CB-CD1 4.46Å; P131-Y171 HydrophobicContact CB-CE1 4.28Å; P131-Y171 HydrophobicContact CG-CD1 3.76Å; P131-Y171 HydrophobicContact CG-CE1 3.83Å; P131-V209 HydrophobicContact CG-CG1 4.25Å; P131-C211 HydrophobicContact CG-CB 3.93Å; P131-S223 WeakPolarHBondContact O-CB 3.36Å |
| 132 | F | 95.6 | Very high | 94.2 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 163 | -178.6 | 73.3 | -91.4 | 0 | 0 | 0 | 112.4 | R155 P156 A158 | F132-R155 HydrophobicContact CD2-CB 4.46Å; F132-R155 HydrophobicContact CE1-CB 4.22Å; F132-R155 HydrophobicContact CE2-CB 4.13Å; F132-R155 HydrophobicContact CZ-CB 4Å; F132-R155 PolarHBondContact N-O 2.85Å; F132-R155 PolarHBondContact O-N 2.91Å; F132-P156 VanDerWaalsContact CD1-O 3.28Å; F132-P156 WeakPolarHBondContact CD1-O 3.45Å; F132-P156 WeakPolarHBondContact CE1-O 3.17Å; F132-A158 HydrophobicContact CE1-CB 4.32Å |
| 133 | G | 95.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.9 | 35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N135 | G133-N135 PolarHBondContact O-N 2.99Å |
| 134 | L | 97.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 125.4 | 172.8 | -179.2 | 60.9 | 0 | 0 | 0 | 109.6 | S153 W154 V207 V209 V226 | L134-S153 CarbonylContact C-O 3.57Å; L134-S153 WeakPolarHBondContact CA-O 3.09Å; L134-W154 HydrophobicContact CD1-CB 4.31Å; L134-W154 HydrophobicContact CD1-CE3 3.84Å; L134-V207 HydrophobicContact CD2-CG1 4.49Å; L134-V209 HydrophobicContact CD1-CG2 3.59Å; L134-V209 HydrophobicContact CD2-CG2 4.03Å; L134-V209 HydrophobicContact CG-CG2 4.44Å; L134-V226 HydrophobicContact CB-CG2 4.09Å; L134-V226 HydrophobicContact CD2-CB 4.3Å; L134-V226 HydrophobicContact CD2-CG2 3.98Å; L134-V226 HydrophobicContact CG-CB 4.43Å; L134-V226 HydrophobicContact CG-CG2 3.9Å; L134-V226 WeakPolarHBondContact O-CG2 3.29Å |
| 135 | N | 96.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 58.8 Ų | 58.8 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.9 | 178.7 | -161.1 | 3.5 | 0 | 0 | 0 | 110.1 | G133 L152 S153 | G133-N135 PolarHBondContact O-N 2.99Å; N135-L152 CarbonylContact O-C 3.58Å; N135-L152 WeakPolarHBondContact O-CA 3.49Å; N135-S153 PolarHBondContact N-O 2.93Å; N135-S153 PolarHBondContact O-N 2.76Å; N135-S153 PolarHBondContact O-OG 3.2Å |
| 136 | W | 96.5 | Very high | 93.6 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 24% | 0.239 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.7 | 179 | 68.9 | -87 | 0 | 0 | 0 | 112.2 | L138 A150 M151 L152 F227 I228 I230 | W136-L138 HydrophobicContact CZ3-CB 4.25Å; W136-A150 HydrophobicContact CE3-CB 4.41Å; W136-M151 CarbonylContact C-O 3.56Å; W136-M151 WeakPolarHBondContact CA-O 3.43Å; W136-L152 HydrophobicContact CB-CD2 3.96Å; W136-F227 PolarHBondContact NE1-O 2.88Å; W136-I228 HydrophobicContact CB-CD1 4.01Å; W136-I228 HydrophobicContact CB-CG1 4.37Å; W136-I228 HydrophobicContact CD2-CB 4.41Å; W136-I228 HydrophobicContact CD2-CD1 4.24Å; W136-I228 HydrophobicContact CD2-CG1 3.94Å; W136-I228 HydrophobicContact CD2-CG2 3.94Å; W136-I228 HydrophobicContact CE3-CG2 3.97Å; W136-I228 HydrophobicContact CG-CD1 3.91Å; W136-I228 HydrophobicContact CG-CG1 3.76Å; W136-I228 HydrophobicContact CH2-CG2 4.01Å; W136-I228 HydrophobicContact CZ2-CG2 3.97Å; W136-I228 HydrophobicContact CZ3-CG2 4.01Å; W136-I230 HydrophobicContact CH2-CD1 4.16Å; W136-I230 HydrophobicContact CH2-CG1 4.01Å; W136-I230 HydrophobicContact CZ3-CD1 3.91Å; W136-I230 HydrophobicContact CZ3-CG1 4.28Å |
| 137 | T | 96.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.2 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | M139 A150 M151 | T137-M139 PolarHBondContact O-N 3.45Å; T137-A150 CarbonylContact O-C 3.48Å; T137-A150 VanDerWaalsContact O-CA 3.3Å; T137-A150 WeakPolarHBondContact O-CA 3.5Å; T137-M151 PolarHBondContact N-O 3.43Å; T137-M151 PolarHBondContact O-N 2.9Å |
| 138 | L | 95.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 44% | 0.44 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.7 | 174.2 | 178.6 | 55.8 | 0 | 0 | 0 | 109.1 | W136 V141 F148 I230 | W136-L138 HydrophobicContact CZ3-CB 4.25Å; L138-V141 HydrophobicContact CD1-CG2 3.93Å; L138-V141 HydrophobicContact CD2-CG2 4.02Å; L138-V141 HydrophobicContact CG-CG2 4.38Å; L138-F148 HydrophobicContact CD1-CB 4.09Å; L138-F148 HydrophobicContact CD1-CD2 4.28Å; L138-I230 HydrophobicContact CD1-CD1 3.58Å; L138-I230 HydrophobicContact CD2-CD1 4.48Å; L138-I230 HydrophobicContact CG-CD1 4.46Å |
| 139 | M | 94.1 | Very high | 93.5 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 47% | 0.473 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -60.7 | 176.7 | -65.9 | -175.6 | 71.1 | 0 | 0 | 111.3 | T137 D149 M151 | T137-M139 PolarHBondContact O-N 3.45Å; M139-D149 HydrophobicContact CB-CB 4.25Å; M139-D149 PolarHBondContact N-O 2.86Å; M139-M151 HydrophobicContact CE-CE 3.95Å; M139-M151 HydrophobicContact CG-CB 3.83Å; M139-M151 HydrophobicContact SD-CB 3.78Å; M139-M151 HydrophobicContact SD-CE 3.74Å |
| 140 | N | 92.1 | Very high | 93.5 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.5 | -175.1 | -159.7 | 6.6 | 0 | 0 | 0 | 110.6 | F148 D149 | N140-F148 CarbonylContact O-C 3.53Å; N140-F148 WeakPolarHBondContact O-CA 3.1Å; N140-D149 PolarHBondContact N-O 3.07Å; N140-D149 PolarHBondContact O-N 2.88Å |
| 141 | V | 92.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 32% | 0.321 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.1 | 173.4 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | L138 F148 | L138-V141 HydrophobicContact CD1-CG2 3.93Å; L138-V141 HydrophobicContact CD2-CG2 4.02Å; L138-V141 HydrophobicContact CG-CG2 4.38Å; V141-F148 HydrophobicContact CG2-CB 4.24Å |
| 142 | S | 90.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -57.7 | 152.3 | 178.4 | 74.7 | 0 | 0 | 0 | 0 | 111 | T144 G145 S146 H147 | S142-T144 PolarHBondContact O-N 3.04Å; S142-T144 VanDerWaalsContact O-N 3.13Å; S142-T144 PolarHBondContact OG-OG1 2.78Å; S142-G145 WeakPolarHBondContact O-CA 3.2Å; S142-G145 PolarHBondContact O-N 2.79Å; S142-G145 PolarHBondContact OG-N 2.99Å; S142-S146 PolarHBondContact OG-N 3.3Å; S142-S146 VanDerWaalsContact OG-N 3.15Å; S142-H147 PolarHBondContact N-O 3.25Å; S142-H147 PolarHBondContact OG-N 2.77Å; S142-H147 PolarHBondContact OG-O 3.1Å | ||
| 143 | L | 86.8 | Confident | 93.6 | Very high | 192 Ų | 192 | 58.1 Ų | 58.1 | 100% | 1.005 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.9 | 176.9 | -66.2 | 171.3 | 0 | 0 | 0 | 112.5 | G145 | L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.06Å |
| 144 | T | 84.5 | Confident | 93.7 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.7 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | S142 S146 V234 | S142-T144 PolarHBondContact O-N 3.04Å; S142-T144 VanDerWaalsContact O-N 3.13Å; S142-T144 PolarHBondContact OG-OG1 2.78Å; T144-S146 PolarHBondContact O-N 2.81Å; T144-S146 PolarHBondContact OG1-N 3.4Å; T144-S146 PolarHBondContact OG1-OG 2.93Å; T144-V234 WeakPolarHBondContact O-CG2 3.47Å |
| 145 | G | 86.4 | Confident | 93.7 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 65.3 | 16.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S142 L143 T201 V234 | S142-G145 WeakPolarHBondContact O-CA 3.2Å; S142-G145 PolarHBondContact O-N 2.79Å; S142-G145 PolarHBondContact OG-N 2.99Å; L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.06Å; G145-T201 WeakPolarHBondContact O-CG2 3.18Å; G145-T201 PolarHBondContact O-OG1 3.4Å; G145-V234 WeakPolarHBondContact O-CG2 3.1Å |
| 146 | S | 88.7 | Confident | 93.7 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -94.8 | -27.8 | -177.3 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | S142 T144 T201 | S142-S146 PolarHBondContact OG-N 3.3Å; S142-S146 VanDerWaalsContact OG-N 3.15Å; T144-S146 PolarHBondContact O-N 2.81Å; T144-S146 PolarHBondContact OG1-N 3.4Å; T144-S146 PolarHBondContact OG1-OG 2.93Å; S146-T201 VanDerWaalsContact C-OG1 3.27Å; S146-T201 WeakPolarHBondContact CA-OG1 3.35Å; S146-T201 PolarHBondContact O-N 3.34Å; S146-T201 PolarHBondContact O-OG1 3.15Å |
| 147 | H | 93.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 157.4 | 178.4 | -58.4 | 79.6 | 0 | 0 | 0 | 111.3 | S142 G198 L199 | S142-H147 PolarHBondContact N-O 3.25Å; S142-H147 PolarHBondContact OG-N 2.77Å; S142-H147 PolarHBondContact OG-O 3.1Å; H147-G198 PolarHBondContact CD2-O 3.28Å; H147-L199 CarbonylContact C-O 3.59Å; H147-L199 WeakPolarHBondContact CA-O 3.42Å; H147-L199 WeakPolarHBondContact CB-O 3.3Å |
| 148 | F | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 157.9 | 175.6 | 71.9 | -91.6 | 0 | 0 | 0 | 111.4 | L138 N140 V141 A150 G198 L199 Q200 T201 Y205 I228 I230 | L138-F148 HydrophobicContact CD1-CB 4.09Å; L138-F148 HydrophobicContact CD1-CD2 4.28Å; N140-F148 CarbonylContact O-C 3.53Å; N140-F148 WeakPolarHBondContact O-CA 3.1Å; V141-F148 HydrophobicContact CG2-CB 4.24Å; F148-A150 HydrophobicContact CD2-CB 4.2Å; F148-A150 HydrophobicContact CE2-CB 3.96Å; F148-G198 PolarHBondContact O-N 2.97Å; F148-L199 HydrophobicContact CD1-CB 4.06Å; F148-L199 WeakPolarHBondContact CD1-O 3.44Å; F148-L199 HydrophobicContact CD2-CB 4.18Å; F148-L199 HydrophobicContact CE1-CB 3.63Å; F148-L199 HydrophobicContact CE2-CB 3.72Å; F148-L199 HydrophobicContact CE2-CD2 3.88Å; F148-L199 HydrophobicContact CE2-CG 4.38Å; F148-L199 HydrophobicContact CG-CB 4.34Å; F148-L199 HydrophobicContact CZ-CB 3.44Å; F148-L199 VanDerWaalsContact CZ-CB 3.44Å; F148-L199 HydrophobicContact CZ-CD2 3.75Å; F148-L199 HydrophobicContact CZ-CG 4.24Å; F148-L199 PolarHBondContact N-O 2.81Å; F148-L199 PolarHBondContact O-N 2.78Å; F148-Q200 WeakPolarHBondContact CE1-O 3.4Å; F148-T201 HydrophobicContact CB-CG2 4.39Å; F148-T201 HydrophobicContact CD1-CG2 3.84Å; F148-Y205 HydrophobicContact CE1-CD2 4.48Å; F148-Y205 HydrophobicContact CE1-CE2 4.25Å; F148-Y205 HydrophobicContact CZ-CD2 4.15Å; F148-Y205 HydrophobicContact CZ-CE2 4.29Å; F148-I228 HydrophobicContact CE2-CG2 3.79Å; F148-I228 HydrophobicContact CZ-CG2 3.76Å; F148-I230 HydrophobicContact CB-CD1 4.17Å; F148-I230 HydrophobicContact CD1-CB 4.13Å; F148-I230 HydrophobicContact CD1-CD1 3.9Å; F148-I230 HydrophobicContact CD2-CD1 3.26Å; F148-I230 HydrophobicContact CE1-CB 4.22Å; F148-I230 HydrophobicContact CE1-CD1 4.05Å; F148-I230 HydrophobicContact CE2-CD1 3.47Å; F148-I230 VanDerWaalsContact CE2-CD1 3.47Å; F148-I230 HydrophobicContact CG-CB 4.48Å; F148-I230 HydrophobicContact CG-CD1 3.49Å; F148-I230 VanDerWaalsContact CG-CD1 3.49Å; F148-I230 HydrophobicContact CZ-CD1 3.85Å |
| 149 | D | 96 | Very high | 93.3 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.6 | 173.4 | -57.4 | -29.4 | 0 | 0 | 0 | 108.8 | M139 N140 L196 F197 G198 | M139-D149 HydrophobicContact CB-CB 4.25Å; M139-D149 PolarHBondContact N-O 2.86Å; N140-D149 PolarHBondContact N-O 3.07Å; N140-D149 PolarHBondContact O-N 2.88Å; D149-L196 CarbonylContact C-O 3.49Å; D149-L196 WeakPolarHBondContact CA-O 2.99Å; D149-F197 HydrophobicContact CB-CD1 4.06Å; D149-F197 VanDerWaalsContact OD1-CA 3.25Å; D149-F197 WeakPolarHBondContact OD1-CA 3.49Å; D149-G198 PolarHBondContact OD1-N 3.03Å |
| 150 | A | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W136 T137 F148 S195 L196 I228 | W136-A150 HydrophobicContact CE3-CB 4.41Å; T137-A150 CarbonylContact O-C 3.48Å; T137-A150 VanDerWaalsContact O-CA 3.3Å; T137-A150 WeakPolarHBondContact O-CA 3.5Å; F148-A150 HydrophobicContact CD2-CB 4.2Å; F148-A150 HydrophobicContact CE2-CB 3.96Å; A150-S195 CarbonylContact O-C 3.57Å; A150-S195 WeakPolarHBondContact O-CA 3.11Å; A150-L196 PolarHBondContact N-O 3.06Å; A150-L196 PolarHBondContact O-N 3.3Å; A150-I228 HydrophobicContact CB-CD1 4.42Å |
| 151 | M | 96.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.5 | 171.9 | -174.5 | 66.6 | 76.1 | 0 | 0 | 109.1 | W136 T137 M139 H193 S195 | W136-M151 CarbonylContact C-O 3.56Å; W136-M151 WeakPolarHBondContact CA-O 3.43Å; T137-M151 PolarHBondContact N-O 3.43Å; T137-M151 PolarHBondContact O-N 2.9Å; M139-M151 HydrophobicContact CE-CE 3.95Å; M139-M151 HydrophobicContact CG-CB 3.83Å; M139-M151 HydrophobicContact SD-CB 3.78Å; M139-M151 HydrophobicContact SD-CE 3.74Å; M151-H193 HydrophobicContact SD-CB 4.28Å; M151-S195 PolarHBondContact SD-N 2.97Å; M151-S195 VanDerWaalsContact SD-N 3.44Å |
| 152 | L | 97.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 143.7 | 168.9 | -54.8 | 176.7 | 0 | 0 | 0 | 109.5 | N135 W136 W154 A173 H193 R194 L196 V207 I228 | N135-L152 CarbonylContact O-C 3.58Å; N135-L152 WeakPolarHBondContact O-CA 3.49Å; W136-L152 HydrophobicContact CB-CD2 3.96Å; L152-W154 HydrophobicContact CB-CE3 4.07Å; L152-W154 HydrophobicContact CB-CZ3 3.6Å; L152-W154 HydrophobicContact CD1-CZ3 4.31Å; L152-A173 HydrophobicContact CD1-CB 4.07Å; L152-H193 CarbonylContact O-C 3.54Å; L152-H193 WeakPolarHBondContact O-CA 3.5Å; L152-H193 WeakPolarHBondContact O-CB 3.29Å; L152-R194 VanDerWaalsContact CB-O 3.29Å; L152-R194 WeakPolarHBondContact CB-O 3.45Å; L152-R194 PolarHBondContact N-O 2.92Å; L152-R194 PolarHBondContact O-N 3.44Å; L152-L196 HydrophobicContact CD1-CD1 3.98Å; L152-L196 HydrophobicContact CD1-CD2 4.03Å; L152-L196 HydrophobicContact CD1-CG 3.92Å; L152-L196 HydrophobicContact CD2-CD1 4.07Å; L152-L196 HydrophobicContact CD2-CG 4.49Å; L152-L196 HydrophobicContact CG-CD1 4.1Å; L152-L196 HydrophobicContact CG-CG 4.02Å; L152-V207 HydrophobicContact CD1-CG1 3.52Å; L152-V207 HydrophobicContact CD2-CB 4.47Å; L152-V207 HydrophobicContact CD2-CG1 3.82Å; L152-V207 HydrophobicContact CD2-CG2 4.39Å; L152-V207 HydrophobicContact CG-CG1 4.31Å; L152-I228 HydrophobicContact CD2-CD1 4.03Å |
| 153 | S | 97.6 | Very high | 93.3 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141 | 176 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | L134 N135 T192 | L134-S153 CarbonylContact C-O 3.57Å; L134-S153 WeakPolarHBondContact CA-O 3.09Å; N135-S153 PolarHBondContact N-O 2.93Å; N135-S153 PolarHBondContact O-N 2.76Å; N135-S153 PolarHBondContact O-OG 3.2Å; S153-T192 WeakPolarHBondContact CA-O 2.95Å |
| 154 | W | 97.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 179.3 | 179.5 | 54.9 | 87.8 | 0 | 0 | 0 | 110.6 | P131 L134 L152 Y171 A173 V189 T192 R194 V209 | P131-W154 HydrophobicContact CB-CG 4.47Å; L134-W154 HydrophobicContact CD1-CB 4.31Å; L134-W154 HydrophobicContact CD1-CE3 3.84Å; L152-W154 HydrophobicContact CB-CE3 4.07Å; L152-W154 HydrophobicContact CB-CZ3 3.6Å; L152-W154 HydrophobicContact CD1-CZ3 4.31Å; W154-Y171 AromaticContact CD1-CD1 3.88Å; W154-Y171 AromaticContact CD1-CE1 3.89Å; W154-Y171 AromaticContact CE2-CG 3.99Å; W154-Y171 HydrophobicContact CZ2-CG 4.03Å; W154-Y171 AromaticContact NE1-CD1 3.19Å; W154-Y171 AromaticContact NE1-CD2 3.81Å; W154-Y171 AromaticContact NE1-CE1 3.54Å; W154-Y171 AromaticContact NE1-CG 3.36Å; W154-Y171 AromaticContact NE1-CZ 3.99Å; W154-A173 HydrophobicContact CH2-CB 4.04Å; W154-A173 HydrophobicContact CZ3-CB 4.24Å; W154-V189 HydrophobicContact CH2-CG2 4.2Å; W154-V189 HydrophobicContact CZ2-CG2 3.9Å; W154-T192 PolarHBondContact N-O 3.15Å; W154-T192 WeakPolarHBondContact O-CB 3.45Å; W154-R194 HydrophobicContact CH2-CB 3.57Å; W154-R194 HydrophobicContact CZ3-CB 3.99Å; W154-V209 HydrophobicContact CD2-CG1 4.07Å; W154-V209 HydrophobicContact CD2-CG2 4.27Å; W154-V209 HydrophobicContact CE3-CG1 4.36Å; W154-V209 HydrophobicContact CE3-CG2 3.82Å; W154-V209 HydrophobicContact CH2-CG1 4.34Å; W154-V209 HydrophobicContact CH2-CG2 4.45Å; W154-V209 HydrophobicContact CZ2-CG1 4.09Å; W154-V209 HydrophobicContact CZ3-CG1 4.47Å; W154-V209 HydrophobicContact CZ3-CG2 3.89Å |
| 155 | R | 96.7 | Very high | 93.9 | Very high | 166 Ų | 166 | 52.4 Ų | 52.4 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.8 | 174.3 | -65.8 | -175.7 | -173.5 | 172.1 | 2.1 | 111.1 | P131 F132 | P131-R155 WeakPolarHBondContact CA-O 3.38Å; P131-R155 WeakPolarHBondContact CB-O 3.42Å; F132-R155 HydrophobicContact CD2-CB 4.46Å; F132-R155 HydrophobicContact CE1-CB 4.22Å; F132-R155 HydrophobicContact CE2-CB 4.13Å; F132-R155 HydrophobicContact CZ-CB 4Å; F132-R155 PolarHBondContact N-O 2.85Å; F132-R155 PolarHBondContact O-N 2.91Å |
| 156 | P | 96.4 | Very high | 94.1 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | trans | -60.5 | 155.4 | 172.7 | 26.9 | -34.4 | 0 | 0 | 0 | 110.6 | F132 V162 L169 Y171 | F132-P156 VanDerWaalsContact CD1-O 3.28Å; F132-P156 WeakPolarHBondContact CD1-O 3.45Å; F132-P156 WeakPolarHBondContact CE1-O 3.17Å; P156-V162 HydrophobicContact CB-CB 4.35Å; P156-V162 HydrophobicContact CB-CG2 3.83Å; P156-L169 HydrophobicContact CB-CD1 4.38Å; P156-Y171 WeakPolarHBondContact CB-OH 3.35Å | ||
| 157 | P | 96.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | trans | -60 | 141.7 | 175.3 | -17.5 | 30.6 | 0 | 0 | 0 | 111.7 | D129 T159 A160 L169 | D129-P157 HydrophobicContact CB-CB 3.97Å; D129-P157 HydrophobicContact CB-CG 4.5Å; D129-P157 WeakPolarHBondContact O-CG 3.49Å; P157-T159 PolarHBondContact O-N 3.47Å; P157-A160 HydrophobicContact CB-CB 4.32Å; P157-A160 HydrophobicContact CG-CB 4.47Å; P157-A160 PolarHBondContact O-N 3.2Å; P157-A160 VanDerWaalsContact O-N 3.08Å; P157-L169 HydrophobicContact CG-CD1 4.42Å | ||
| 158 | A | 92.2 | Very high | 94.3 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 80% | 0.802 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F132 A160 | F132-A158 HydrophobicContact CE1-CB 4.32Å; A158-A160 VanDerWaalsContact C-N 3.31Å |
| 159 | T | 92.7 | Very high | 94.4 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.5 | 175.6 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | N36 D129 P157 | N36-T159 WeakPolarHBondContact CB-O 2.9Å; D129-T159 WeakPolarHBondContact OD2-CB 3.31Å; D129-T159 WeakPolarHBondContact OD2-CG2 3.28Å; D129-T159 PolarHBondContact OD2-OG1 3.14Å; P157-T159 PolarHBondContact O-N 3.47Å |
| 160 | A | 92.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -98.6 | 116 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P157 A158 V162 M167 L169 | P157-A160 HydrophobicContact CB-CB 4.32Å; P157-A160 HydrophobicContact CG-CB 4.47Å; P157-A160 PolarHBondContact O-N 3.2Å; P157-A160 VanDerWaalsContact O-N 3.08Å; A158-A160 VanDerWaalsContact C-N 3.31Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 HydrophobicContact CB-CG2 4.19Å; A160-V162 PolarHBondContact O-N 3.34Å; A160-M167 HydrophobicContact CB-CE 4.27Å; A160-M167 HydrophobicContact CB-SD 3.57Å; A160-M167 VanDerWaalsContact CB-SD 3.57Å; A160-L169 HydrophobicContact CB-CD1 4.11Å |
| 161 | D | 92.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | trans | -78.9 | 86.1 | 175.2 | -173.1 | 0.8 | 0 | 0 | 0 | 111 | E163 T164 W166 M167 | D161-E163 PolarHBondContact OD1-N 3.09Å; D161-T164 WeakPolarHBondContact OD1-CG2 3.23Å; D161-T164 PolarHBondContact OD1-N 2.85Å; D161-T164 PolarHBondContact OD1-OG1 2.66Å; D161-T164 WeakPolarHBondContact OD2-CB 3.36Å; D161-T164 WeakPolarHBondContact OD2-CG2 3.35Å; D161-T164 PolarHBondContact OD2-OG1 2.93Å; D161-W166 HydrophobicContact CB-CB 4.11Å; D161-W166 PolarHBondContact O-N 2.86Å; D161-M167 PolarHBondContact O-N 2.83Å | ||
| 162 | V | 93 | Very high | 94.4 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | trans | -88.2 | -24.8 | 176.6 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | P156 A160 G165 M167 L169 | P156-V162 HydrophobicContact CB-CB 4.35Å; P156-V162 HydrophobicContact CB-CG2 3.83Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 HydrophobicContact CB-CG2 4.19Å; A160-V162 PolarHBondContact O-N 3.34Å; V162-G165 PolarHBondContact O-N 3.15Å; V162-M167 WeakPolarHBondContact CA-O 2.91Å; V162-L169 HydrophobicContact CG2-CD1 3.69Å; V162-L169 HydrophobicContact CG2-CG 3.9Å | ||
| 163 | E | 90.3 | Very high | 94.3 | Very high | 191 Ų | 191 | 52.2 Ų | 52.2 | 89% | 0.893 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -72.9 | -40.8 | -174.2 | -65.4 | -172.6 | 175.1 | 0 | 0 | 111.9 | D161 G165 | D161-E163 PolarHBondContact OD1-N 3.09Å; E163-G165 VanDerWaalsContact C-N 3.27Å |
| 164 | T | 92.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 64% | 0.644 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -80 | -12.5 | 175.4 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | D161 | D161-T164 WeakPolarHBondContact OD1-CG2 3.23Å; D161-T164 PolarHBondContact OD1-N 2.85Å; D161-T164 PolarHBondContact OD1-OG1 2.66Å; D161-T164 WeakPolarHBondContact OD2-CB 3.36Å; D161-T164 WeakPolarHBondContact OD2-CG2 3.35Å; D161-T164 PolarHBondContact OD2-OG1 2.93Å |
| 165 | G | 90.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 58% | 0.577 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 87.8 | 9.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V162 E163 M167 | V162-G165 PolarHBondContact O-N 3.15Å; E163-G165 VanDerWaalsContact C-N 3.27Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 3.2Å |
| 166 | W | 91.3 | Very high | 94.2 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -58.2 | -44.4 | 173.5 | 177.2 | -115.1 | 0 | 0 | 0 | 112.1 | N36 E38 V98 D161 | N36-W166 PolarHBondContact O-NE1 3.26Å; N36-W166 VanDerWaalsContact O-NE1 3.16Å; E38-W166 HydrophobicContact CG-CZ2 3.97Å; E38-W166 VanDerWaalsContact CG-NE1 3.35Å; V98-W166 HydrophobicContact CB-CH2 4.27Å; V98-W166 HydrophobicContact CG1-CH2 3.56Å; V98-W166 HydrophobicContact CG1-CZ2 3.52Å; V98-W166 HydrophobicContact CG2-CH2 3.8Å; D161-W166 HydrophobicContact CB-CB 4.11Å; D161-W166 PolarHBondContact O-N 2.86Å |
| 167 | M | 93.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -115.8 | 124.5 | 175.9 | -64.8 | -175.9 | 79.3 | 0 | 0 | 111.9 | N36 V126 P128 A160 D161 V162 G165 L169 | N36-M167 VanDerWaalsContact C-SD 3.58Å; N36-M167 HydrophobicContact CB-SD 4.47Å; N36-M167 VanDerWaalsContact O-SD 3.38Å; V126-M167 HydrophobicContact CG1-CE 3.74Å; P128-M167 HydrophobicContact CG-CE 4.18Å; A160-M167 HydrophobicContact CB-CE 4.27Å; A160-M167 HydrophobicContact CB-SD 3.57Å; A160-M167 VanDerWaalsContact CB-SD 3.57Å; D161-M167 PolarHBondContact O-N 2.83Å; V162-M167 WeakPolarHBondContact CA-O 2.91Å; G165-M167 VanDerWaalsContact C-N 3.33Å; G165-M167 PolarHBondContact O-N 3.2Å; M167-L169 HydrophobicContact CE-CD2 4.27Å | ||
| 168 | A | 94.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -98.4 | 119 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | M213 L214 | A168-M213 CarbonylContact O-C 3.59Å; A168-M213 WeakPolarHBondContact O-CA 2.98Å; A168-L214 HydrophobicContact CB-CB 4.01Å; A168-L214 HydrophobicContact CB-CD2 4.28Å; A168-L214 WeakPolarHBondContact O-CB 3.42Å; A168-L214 PolarHBondContact O-N 2.99Å | ||
| 169 | L | 95.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 150.5 | -177.3 | -60.3 | -176.4 | 0 | 0 | 0 | 113.1 | P128 P156 P157 A160 V162 M167 Y171 K212 | P128-L169 HydrophobicContact CB-CD2 4.26Å; P128-L169 HydrophobicContact CG-CD2 3.77Å; P156-L169 HydrophobicContact CB-CD1 4.38Å; P157-L169 HydrophobicContact CG-CD1 4.42Å; A160-L169 HydrophobicContact CB-CD1 4.11Å; V162-L169 HydrophobicContact CG2-CD1 3.69Å; V162-L169 HydrophobicContact CG2-CG 3.9Å; M167-L169 HydrophobicContact CE-CD2 4.27Å; L169-Y171 HydrophobicContact CB-CE2 4.13Å; L169-K212 CarbonylContact C-O 3.53Å; L169-K212 WeakPolarHBondContact CA-O 2.97Å |
| 170 | Q | 96.5 | Very high | 94 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133 | 170.1 | -164.2 | 177.8 | 33.7 | 0 | 0 | 109 | L188 V189 C211 K212 L214 | Q170-L188 HydrophobicContact CG-CB 3.88Å; Q170-L188 HydrophobicContact CG-CD2 3.81Å; Q170-L188 HydrophobicContact CG-CG 4.39Å; Q170-L188 VanDerWaalsContact NE2-CB 3.33Å; Q170-V189 CarbonylContact C-O 3.59Å; Q170-V189 WeakPolarHBondContact CA-O 3.48Å; Q170-C211 CarbonylContact O-C 3.54Å; Q170-C211 VanDerWaalsContact O-CA 3.26Å; Q170-C211 WeakPolarHBondContact O-CA 3.33Å; Q170-K212 HydrophobicContact CB-CG 4.32Å; Q170-K212 PolarHBondContact N-O 3.26Å; Q170-K212 PolarHBondContact O-N 3.08Å; Q170-L214 HydrophobicContact CB-CD1 4.37Å |
| 171 | Y | 97.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141.8 | -173.4 | -55.3 | -88.2 | 0 | 0 | 0 | 110.9 | P131 W154 P156 L169 L188 V189 T191 T192 V209 R210 C211 | P131-Y171 HydrophobicContact CB-CD1 4.46Å; P131-Y171 HydrophobicContact CB-CE1 4.28Å; P131-Y171 HydrophobicContact CG-CD1 3.76Å; P131-Y171 HydrophobicContact CG-CE1 3.83Å; W154-Y171 AromaticContact CD1-CD1 3.88Å; W154-Y171 AromaticContact CD1-CE1 3.89Å; W154-Y171 AromaticContact CE2-CG 3.99Å; W154-Y171 HydrophobicContact CZ2-CG 4.03Å; W154-Y171 AromaticContact NE1-CD1 3.19Å; W154-Y171 AromaticContact NE1-CD2 3.81Å; W154-Y171 AromaticContact NE1-CE1 3.54Å; W154-Y171 AromaticContact NE1-CG 3.36Å; W154-Y171 AromaticContact NE1-CZ 3.99Å; P156-Y171 WeakPolarHBondContact CB-OH 3.35Å; L169-Y171 HydrophobicContact CB-CE2 4.13Å; Y171-L188 WeakPolarHBondContact O-CA 3.34Å; Y171-V189 PolarHBondContact N-O 2.8Å; Y171-V189 PolarHBondContact O-N 3.27Å; Y171-T191 WeakPolarHBondContact CD2-O 3.42Å; Y171-T192 HydrophobicContact CE2-CG2 4.48Å; Y171-V209 HydrophobicContact CD1-CG1 4.4Å; Y171-R210 WeakPolarHBondContact CA-O 3.04Å; Y171-C211 HydrophobicContact CD1-CB 3.55Å; Y171-C211 HydrophobicContact CE1-CB 3.7Å; Y171-C211 HydrophobicContact CG-CB 4.38Å |
| 172 | D | 96.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 108.3 | 172.8 | 176.2 | 28.5 | 0 | 0 | 0 | 108.2 | Q174 L188 V209 R210 F219 | D172-Q174 PolarHBondContact OD2-NE2 3.12Å; D172-L188 HydrophobicContact CB-CD2 4.08Å; D172-V209 WeakPolarHBondContact O-CA 3.11Å; D172-R210 HydrophobicContact CB-CG 4.1Å; D172-R210 PolarHBondContact N-O 3.46Å; D172-R210 PolarHBondContact O-N 3.41Å; D172-R210 IonicContact OD2-CZ 3.19Å; D172-R210 IonicContact OD2-NE 2.8Å; D172-R210 PolarHBondContact OD2-NE 3.08Å; D172-R210 VanDerWaalsContact OD2-NE 3.09Å; D172-R210 IonicContact OD2-NH2 2.74Å; D172-R210 PolarHBondContact OD2-NH2 2.64Å; D172-F219 HydrophobicContact CB-CD1 4.48Å; D172-F219 HydrophobicContact CB-CE1 3.79Å; D172-F219 HydrophobicContact CB-CZ 4.4Å |
| 173 | A | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L152 W154 T186 V209 | L152-A173 HydrophobicContact CD1-CB 4.07Å; W154-A173 HydrophobicContact CH2-CB 4.04Å; W154-A173 HydrophobicContact CZ3-CB 4.24Å; A173-T186 WeakPolarHBondContact CB-OG1 3.32Å; A173-T186 WeakPolarHBondContact O-CB 3.24Å; A173-T186 WeakPolarHBondContact O-CG2 3.24Å; A173-T186 PolarHBondContact O-N 3.37Å; A173-T186 VanDerWaalsContact O-N 3.15Å; A173-T186 PolarHBondContact O-OG1 3.11Å; A173-V209 HydrophobicContact CB-CG1 4.49Å; A173-V209 HydrophobicContact CB-CG2 3.84Å |
| 174 | Q | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.5 | -179.1 | -62 | -179.5 | -0.5 | 0 | 0 | 109.5 | D172 W183 E184 Q185 V207 R208 F222 | D172-Q174 PolarHBondContact OD2-NE2 3.12Å; Q174-W183 HydrophobicContact CB-CB 4.35Å; Q174-W183 HydrophobicContact CB-CD2 4.4Å; Q174-W183 HydrophobicContact CB-CE3 3.77Å; Q174-W183 HydrophobicContact CB-CZ3 4.48Å; Q174-E184 VanDerWaalsContact CA-O 3.32Å; Q174-E184 WeakPolarHBondContact CA-O 3.34Å; Q174-Q185 HydrophobicContact CG-CG 4.4Å; Q174-V207 WeakPolarHBondContact O-CA 3.44Å; Q174-V207 WeakPolarHBondContact O-CG1 3.14Å; Q174-R208 HydrophobicContact CB-CG 4.41Å; Q174-R208 PolarHBondContact N-O 3.01Å; Q174-R208 PolarHBondContact O-N 2.73Å; Q174-F222 HydrophobicContact CG-CE1 4.39Å |
| 175 | Y | 96.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 61 Ų | 61 | 22% | 0.216 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 155.8 | 175.6 | 72.9 | -77.3 | 0 | 0 | 0 | 110.8 | E184 T186 L196 L199 Y205 E206 | Y175-E184 HydrophobicContact CD1-CB 3.97Å; Y175-E184 HydrophobicContact CD2-CB 4.48Å; Y175-E184 HydrophobicContact CE1-CB 3.56Å; Y175-E184 HydrophobicContact CE2-CB 4.12Å; Y175-E184 HydrophobicContact CE2-CG 4.38Å; Y175-E184 HydrophobicContact CG-CB 4.41Å; Y175-E184 PolarHBondContact N-O 2.71Å; Y175-E184 WeakPolarHBondContact O-CA 3.26Å; Y175-E184 WeakPolarHBondContact O-CB 3.37Å; Y175-E184 PolarHBondContact O-N 3.06Å; Y175-T186 HydrophobicContact CD1-CG2 3.71Å; Y175-T186 HydrophobicContact CE1-CG2 3.88Å; Y175-L196 HydrophobicContact CD1-CD1 4.5Å; Y175-L196 HydrophobicContact CD1-CD2 3.84Å; Y175-L196 HydrophobicContact CE1-CD2 4.2Å; Y175-L196 HydrophobicContact CG-CD1 4.26Å; Y175-L196 HydrophobicContact CG-CD2 4.41Å; Y175-L199 HydrophobicContact CE2-CD1 4.49Å; Y175-Y205 HydrophobicContact CD2-CD1 4.08Å; Y175-Y205 HydrophobicContact CD2-CE1 4.45Å; Y175-E206 CarbonylContact C-O 3.55Å; Y175-E206 VanDerWaalsContact CA-O 3.26Å; Y175-E206 WeakPolarHBondContact CA-O 3.34Å |
| 176 | R | 96.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 164.4 | 171.7 | 62.6 | 173.9 | -178.6 | -173.5 | -6.1 | 110.1 | A180 R182 W183 Y205 E206 | R176-A180 WeakPolarHBondContact CD-O 3.49Å; R176-A180 PolarHBondContact NE-O 3.09Å; R176-A180 PolarHBondContact NH1-O 3.29Å; R176-R182 VanDerWaalsContact CB-O 3.3Å; R176-R182 WeakPolarHBondContact CB-O 3.21Å; R176-W183 HydrophobicContact CB-CD2 4.26Å; R176-W183 HydrophobicContact CB-CE3 4.08Å; R176-W183 HydrophobicContact CB-CZ3 4.49Å; R176-W183 VanDerWaalsContact CD-CE2 3.46Å; R176-W183 HydrophobicContact CG-CD2 3.91Å; R176-W183 HydrophobicContact CG-CE3 3.76Å; R176-W183 HydrophobicContact CG-CH2 3.95Å; R176-W183 HydrophobicContact CG-CZ2 4.07Å; R176-W183 HydrophobicContact CG-CZ3 3.78Å; R176-Y205 CarbonylContact O-C 3.5Å; R176-Y205 VanDerWaalsContact O-CA 3.24Å; R176-Y205 WeakPolarHBondContact O-CA 3.47Å; R176-Y205 WeakPolarHBondContact O-CD1 3.5Å; R176-E206 HydrophobicContact CG-CB 4.2Å; R176-E206 IonicContact CZ-OE2 2.93Å; R176-E206 PolarHBondContact N-O 2.91Å; R176-E206 IonicContact NE-OE2 2.97Å; R176-E206 PolarHBondContact NE-OE2 3.35Å; R176-E206 IonicContact NH2-OE1 3.02Å; R176-E206 IonicContact NH2-OE2 3.09Å; R176-E206 PolarHBondContact NH2-OE2 2.94Å; R176-E206 PolarHBondContact O-N 3.02Å |
| 177 | Q | 95.6 | Very high | 94.6 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.7 | 162.7 | -178.5 | 168.4 | 5.9 | 0 | 0 | 109.1 | G179 A180 V203 | Q177-G179 PolarHBondContact O-N 2.91Å; Q177-A180 HydrophobicContact CB-CB 4.29Å; Q177-A180 VanDerWaalsContact O-CB 3.22Å; Q177-A180 WeakPolarHBondContact O-CB 3.33Å; Q177-A180 PolarHBondContact O-N 3.2Å; Q177-V203 HydrophobicContact CB-CG1 4.31Å; Q177-V203 VanDerWaalsContact CD-CG1 3.5Å; Q177-V203 HydrophobicContact CG-CG1 3.53Å |
| 178 | A | 93.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 122.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.1 | N204 F227 | A178-N204 HydrophobicContact CB-CB 3.8Å; A178-N204 WeakPolarHBondContact CB-O 3.39Å; A178-N204 PolarHBondContact N-O 2.88Å; A178-F227 HydrophobicContact CB-CD1 4.43Å; A178-F227 HydrophobicContact CB-CE1 4.35Å |
| 179 | G | 89.6 | Confident | 94.8 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 76% | 0.763 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -5.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q177 | Q177-G179 PolarHBondContact O-N 2.91Š|
| 180 | A | 93.9 | Very high | 94.7 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | trans | -74.1 | 146.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R176 Q177 | R176-A180 WeakPolarHBondContact CD-O 3.49Å; R176-A180 PolarHBondContact NE-O 3.09Å; R176-A180 PolarHBondContact NH1-O 3.29Å; Q177-A180 HydrophobicContact CB-CB 4.29Å; Q177-A180 VanDerWaalsContact O-CB 3.22Å; Q177-A180 WeakPolarHBondContact O-CB 3.33Å; Q177-A180 PolarHBondContact O-N 3.2Å | ||
| 181 | E | 93.4 | Very high | 94.7 | Very high | 188 Ų | 188 | 66 Ų | 66 | 88% | 0.879 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -77.4 | -34.8 | 178.2 | -66.3 | -174.3 | 168.6 | 0 | 0 | 112.5 | ||
| 182 | R | 95.4 | Very high | 94.6 | Very high | 192 Ų | 192 | 68.5 Ų | 68.5 | 73% | 0.725 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 135.6 | -174.6 | -174 | 174.3 | 176.4 | 164.2 | -1 | 111.9 | R176 | R176-R182 VanDerWaalsContact CB-O 3.3Å; R176-R182 WeakPolarHBondContact CB-O 3.21Å |
| 183 | W | 95.9 | Very high | 94.6 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 135.3 | 171.7 | -69.9 | 84.9 | 0 | 0 | 0 | 111.1 | Q174 R176 E206 R208 | Q174-W183 HydrophobicContact CB-CB 4.35Å; Q174-W183 HydrophobicContact CB-CD2 4.4Å; Q174-W183 HydrophobicContact CB-CE3 3.77Å; Q174-W183 HydrophobicContact CB-CZ3 4.48Å; R176-W183 HydrophobicContact CB-CD2 4.26Å; R176-W183 HydrophobicContact CB-CE3 4.08Å; R176-W183 HydrophobicContact CB-CZ3 4.49Å; R176-W183 VanDerWaalsContact CD-CE2 3.46Å; R176-W183 HydrophobicContact CG-CD2 3.91Å; R176-W183 HydrophobicContact CG-CE3 3.76Å; R176-W183 HydrophobicContact CG-CH2 3.95Å; R176-W183 HydrophobicContact CG-CZ2 4.07Å; R176-W183 HydrophobicContact CG-CZ3 3.78Å; W183-E206 HydrophobicContact CH2-CB 4.28Å; W183-E206 HydrophobicContact CH2-CG 3.79Å; W183-E206 WeakPolarHBondContact CZ3-O 3.14Å; W183-R208 VanDerWaalsContact CD1-NH2 3.32Å; W183-R208 HydrophobicContact CE3-CG 4.21Å; W183-R208 HydrophobicContact CH2-CB 4.39Å; W183-R208 VanDerWaalsContact CH2-CD 3.44Å; W183-R208 HydrophobicContact CH2-CG 3.68Å; W183-R208 HydrophobicContact CZ2-CG 4.32Å; W183-R208 VanDerWaalsContact CZ2-CZ 3.46Å; W183-R208 HydrophobicContact CZ3-CB 4.49Å; W183-R208 HydrophobicContact CZ3-CG 3.63Å; W183-R208 VanDerWaalsContact NE1-NH2 3.17Å |
| 184 | E | 94.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 76 Ų | 76 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132 | 170.7 | -63.5 | -59.5 | 153.4 | 0 | 0 | 109.7 | Q174 Y175 | Q174-E184 VanDerWaalsContact CA-O 3.32Å; Q174-E184 WeakPolarHBondContact CA-O 3.34Å; Y175-E184 HydrophobicContact CD1-CB 3.97Å; Y175-E184 HydrophobicContact CD2-CB 4.48Å; Y175-E184 HydrophobicContact CE1-CB 3.56Å; Y175-E184 HydrophobicContact CE2-CB 4.12Å; Y175-E184 HydrophobicContact CE2-CG 4.38Å; Y175-E184 HydrophobicContact CG-CB 4.41Å; Y175-E184 PolarHBondContact N-O 2.71Å; Y175-E184 WeakPolarHBondContact O-CA 3.26Å; Y175-E184 WeakPolarHBondContact O-CB 3.37Å; Y175-E184 PolarHBondContact O-N 3.06Å |
| 185 | Q | 92.7 | Very high | 94.6 | Very high | 138 Ų | 138 | 76.9 Ų | 76.9 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.2 | -179 | -66.9 | -177.3 | -10.9 | 0 | 0 | 110.1 | Q174 | Q174-Q185 HydrophobicContact CG-CG 4.4Å |
| 186 | T | 90.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 74.4 Ų | 74.4 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -13.8 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | A173 Y175 R194 L196 | A173-T186 WeakPolarHBondContact CB-OG1 3.32Å; A173-T186 WeakPolarHBondContact O-CB 3.24Å; A173-T186 WeakPolarHBondContact O-CG2 3.24Å; A173-T186 PolarHBondContact O-N 3.37Å; A173-T186 VanDerWaalsContact O-N 3.15Å; A173-T186 PolarHBondContact O-OG1 3.11Å; Y175-T186 HydrophobicContact CD1-CG2 3.71Å; Y175-T186 HydrophobicContact CE1-CG2 3.88Å; T186-R194 VanDerWaalsContact O-CZ 3.22Å; T186-R194 PolarHBondContact O-NH2 2.99Å; T186-L196 HydrophobicContact CG2-CD2 3.24Å |
| 187 | G | 91.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 78.1 Ų | 78.1 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.1 | 162.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 188 | L | 95.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 75 Ų | 75 | 42% | 0.419 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.9 | -173.2 | -71.6 | 154 | 0 | 0 | 0 | 111.9 | Q170 Y171 D172 F219 | Q170-L188 HydrophobicContact CG-CB 3.88Å; Q170-L188 HydrophobicContact CG-CD2 3.81Å; Q170-L188 HydrophobicContact CG-CG 4.39Å; Q170-L188 VanDerWaalsContact NE2-CB 3.33Å; Y171-L188 WeakPolarHBondContact O-CA 3.34Å; D172-L188 HydrophobicContact CB-CD2 4.08Å; L188-F219 HydrophobicContact CD2-CE1 3.89Å; L188-F219 HydrophobicContact CD2-CZ 3.85Å |
| 189 | V | 96.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 73.3 Ų | 73.3 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.3 | 175.7 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | W154 Q170 Y171 | W154-V189 HydrophobicContact CH2-CG2 4.2Å; W154-V189 HydrophobicContact CZ2-CG2 3.9Å; Q170-V189 CarbonylContact C-O 3.59Å; Q170-V189 WeakPolarHBondContact CA-O 3.48Å; Y171-V189 PolarHBondContact N-O 2.8Å; Y171-V189 PolarHBondContact O-N 3.27Å |
| 190 | K | 94.9 | Very high | 94.6 | Very high | 141 Ų | 141 | 74.9 Ų | 74.9 | 61% | 0.613 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -91.6 | -17.6 | 171.4 | -58.8 | -175.3 | -174.6 | -173 | 0 | 112.4 | L214 | K190-L214 HydrophobicContact CD-CD1 4.31Å; K190-L214 HydrophobicContact CG-CD1 4.48Å |
| 191 | T | 95.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79 | 158.9 | 178.8 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | Y171 H193 | Y171-T191 WeakPolarHBondContact CD2-O 3.42Å; T191-H193 PolarHBondContact O-N 3.14Å; T191-H193 PolarHBondContact OG1-O 3.02Å |
| 192 | T | 96.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -86.1 | 17.3 | 176.2 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | S153 W154 Y171 | S153-T192 WeakPolarHBondContact CA-O 2.95Å; W154-T192 PolarHBondContact N-O 3.15Å; W154-T192 WeakPolarHBondContact O-CB 3.45Å; Y171-T192 HydrophobicContact CE2-CG2 4.48Å |
| 193 | H | 96.3 | Very high | 94.3 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.6 | 179.8 | 59.8 | -89 | 0 | 0 | 0 | 110.8 | M151 L152 T191 | M151-H193 HydrophobicContact SD-CB 4.28Å; L152-H193 CarbonylContact O-C 3.54Å; L152-H193 WeakPolarHBondContact O-CA 3.5Å; L152-H193 WeakPolarHBondContact O-CB 3.29Å; T191-H193 PolarHBondContact O-N 3.14Å; T191-H193 PolarHBondContact OG1-O 3.02Å |
| 194 | R | 96.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 133 | 178.5 | 179.9 | 71.3 | -174.1 | -160.7 | 1.7 | 111.2 | L152 W154 T186 | L152-R194 VanDerWaalsContact CB-O 3.29Å; L152-R194 WeakPolarHBondContact CB-O 3.45Å; L152-R194 PolarHBondContact N-O 2.92Å; L152-R194 PolarHBondContact O-N 3.44Å; W154-R194 HydrophobicContact CH2-CB 3.57Å; W154-R194 HydrophobicContact CZ3-CB 3.99Å; T186-R194 VanDerWaalsContact O-CZ 3.22Å; T186-R194 PolarHBondContact O-NH2 2.99Å |
| 195 | S | 95.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.6 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 112 | A150 M151 F197 | A150-S195 CarbonylContact O-C 3.57Å; A150-S195 WeakPolarHBondContact O-CA 3.11Å; M151-S195 PolarHBondContact SD-N 2.97Å; M151-S195 VanDerWaalsContact SD-N 3.44Å; S195-F197 VanDerWaalsContact CB-CZ 3.42Å; S195-F197 WeakPolarHBondContact OG-CE2 3.45Å; S195-F197 WeakPolarHBondContact OG-CZ 3.47Å |
| 196 | L | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.8 | 167.3 | -56.7 | -175.9 | 0 | 0 | 0 | 108.3 | D149 A150 L152 Y175 T186 L199 V207 I228 | D149-L196 CarbonylContact C-O 3.49Å; D149-L196 WeakPolarHBondContact CA-O 2.99Å; A150-L196 PolarHBondContact N-O 3.06Å; A150-L196 PolarHBondContact O-N 3.3Å; L152-L196 HydrophobicContact CD1-CD1 3.98Å; L152-L196 HydrophobicContact CD1-CD2 4.03Å; L152-L196 HydrophobicContact CD1-CG 3.92Å; L152-L196 HydrophobicContact CD2-CD1 4.07Å; L152-L196 HydrophobicContact CD2-CG 4.49Å; L152-L196 HydrophobicContact CG-CD1 4.1Å; L152-L196 HydrophobicContact CG-CG 4.02Å; Y175-L196 HydrophobicContact CD1-CD1 4.5Å; Y175-L196 HydrophobicContact CD1-CD2 3.84Å; Y175-L196 HydrophobicContact CE1-CD2 4.2Å; Y175-L196 HydrophobicContact CG-CD1 4.26Å; Y175-L196 HydrophobicContact CG-CD2 4.41Å; T186-L196 HydrophobicContact CG2-CD2 3.24Å; L196-L199 HydrophobicContact CB-CD1 3.55Å; L196-L199 HydrophobicContact CB-CD2 4.42Å; L196-L199 HydrophobicContact CD1-CD2 4.07Å; L196-V207 HydrophobicContact CD1-CG2 4.22Å; L196-I228 HydrophobicContact CD1-CD1 4.34Å |
| 197 | F | 94.4 | Very high | 94.9 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.6 | -174.8 | -58.7 | -71.8 | 0 | 0 | 0 | 111.8 | D149 S195 L199 | D149-F197 HydrophobicContact CB-CD1 4.06Å; D149-F197 VanDerWaalsContact OD1-CA 3.25Å; D149-F197 WeakPolarHBondContact OD1-CA 3.49Å; S195-F197 VanDerWaalsContact CB-CZ 3.42Å; S195-F197 WeakPolarHBondContact OG-CE2 3.45Å; S195-F197 WeakPolarHBondContact OG-CZ 3.47Å; F197-L199 PolarHBondContact O-N 2.9Å |
| 198 | G | 93.2 | Very high | 95.1 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | 32.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H147 F148 D149 | H147-G198 PolarHBondContact CD2-O 3.28Å; F148-G198 PolarHBondContact O-N 2.97Å; D149-G198 PolarHBondContact OD1-N 3.03Å |
| 199 | L | 94.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 143.1 | 175.8 | -83.6 | 70.3 | 0 | 0 | 0 | 109.7 | H147 F148 Y175 L196 F197 Y205 | H147-L199 CarbonylContact C-O 3.59Å; H147-L199 WeakPolarHBondContact CA-O 3.42Å; H147-L199 WeakPolarHBondContact CB-O 3.3Å; F148-L199 HydrophobicContact CD1-CB 4.06Å; F148-L199 WeakPolarHBondContact CD1-O 3.44Å; F148-L199 HydrophobicContact CD2-CB 4.18Å; F148-L199 HydrophobicContact CE1-CB 3.63Å; F148-L199 HydrophobicContact CE2-CB 3.72Å; F148-L199 HydrophobicContact CE2-CD2 3.88Å; F148-L199 HydrophobicContact CE2-CG 4.38Å; F148-L199 HydrophobicContact CG-CB 4.34Å; F148-L199 HydrophobicContact CZ-CB 3.44Å; F148-L199 VanDerWaalsContact CZ-CB 3.44Å; F148-L199 HydrophobicContact CZ-CD2 3.75Å; F148-L199 HydrophobicContact CZ-CG 4.24Å; F148-L199 PolarHBondContact N-O 2.81Å; F148-L199 PolarHBondContact O-N 2.78Å; Y175-L199 HydrophobicContact CE2-CD1 4.49Å; L196-L199 HydrophobicContact CB-CD1 3.55Å; L196-L199 HydrophobicContact CB-CD2 4.42Å; L196-L199 HydrophobicContact CD1-CD2 4.07Å; F197-L199 PolarHBondContact O-N 2.9Å; L199-Y205 HydrophobicContact CB-CD2 4.46Å; L199-Y205 HydrophobicContact CB-CE2 3.91Å; L199-Y205 HydrophobicContact CD2-CD1 4.15Å; L199-Y205 HydrophobicContact CD2-CD2 3.85Å; L199-Y205 HydrophobicContact CD2-CE1 4.4Å; L199-Y205 HydrophobicContact CD2-CE2 4.08Å; L199-Y205 HydrophobicContact CD2-CG 3.87Å; L199-Y205 HydrophobicContact CG-CD2 4.44Å; L199-Y205 HydrophobicContact CG-CE1 4.34Å; L199-Y205 HydrophobicContact CG-CE2 4.17Å |
| 200 | Q | 93.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 53.3 Ų | 53.3 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.8 | -179.2 | -65.4 | -174.3 | 16.7 | 0 | 0 | 111.4 | F148 V203 Y205 | F148-Q200 WeakPolarHBondContact CE1-O 3.4Å; Q200-V203 HydrophobicContact CB-CG2 4.09Å; Q200-Y205 PolarHBondContact N-OH 2.98Å; Q200-Y205 WeakPolarHBondContact O-CE2 3.06Å |
| 201 | T | 92.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 157.3 | 171.9 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | G145 S146 F148 V203 I230 S232 | G145-T201 WeakPolarHBondContact O-CG2 3.18Å; G145-T201 PolarHBondContact O-OG1 3.4Å; S146-T201 VanDerWaalsContact C-OG1 3.27Å; S146-T201 WeakPolarHBondContact CA-OG1 3.35Å; S146-T201 PolarHBondContact O-N 3.34Å; S146-T201 PolarHBondContact O-OG1 3.15Å; F148-T201 HydrophobicContact CB-CG2 4.39Å; F148-T201 HydrophobicContact CD1-CG2 3.84Å; T201-V203 PolarHBondContact O-N 2.92Å; T201-I230 HydrophobicContact CG2-CG2 4.34Å; T201-S232 WeakPolarHBondContact OG1-CB 3.4Å |
| 202 | N | 90.5 | Very high | 95.3 | Very high | 103 Ų | 103 | 45 Ų | 45 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 23.5 | -176.9 | -161 | 40.7 | 0 | 0 | 0 | 114.4 | I230 | N202-I230 PolarHBondContact N-O 2.84Š|
| 203 | V | 93.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | trans | -121.6 | 138.8 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | Q177 Q200 T201 Y205 | Q177-V203 HydrophobicContact CB-CG1 4.31Å; Q177-V203 VanDerWaalsContact CD-CG1 3.5Å; Q177-V203 HydrophobicContact CG-CG1 3.53Å; Q200-V203 HydrophobicContact CB-CG2 4.09Å; T201-V203 PolarHBondContact O-N 2.92Å; V203-Y205 HydrophobicContact CB-CD2 4.43Å; V203-Y205 HydrophobicContact CB-CE2 3.8Å; V203-Y205 HydrophobicContact CG1-CD2 4.29Å; V203-Y205 HydrophobicContact CG1-CE1 4.41Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å | ||
| 204 | N | 95.5 | Very high | 94.9 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.4 | 172.5 | -67.6 | -10.4 | 0 | 0 | 0 | 108.5 | A178 H229 | A178-N204 HydrophobicContact CB-CB 3.8Å; A178-N204 WeakPolarHBondContact CB-O 3.39Å; A178-N204 PolarHBondContact N-O 2.88Å; N204-H229 WeakPolarHBondContact OD1-CB 3.47Å; N204-H229 VanDerWaalsContact OD1-CG 3.24Å; N204-H229 PolarHBondContact OD1-ND1 3.07Å |
| 205 | Y | 96.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 43 Ų | 43 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.4 | 171.5 | -68.2 | -86.9 | 0 | 0 | 0 | 110.2 | F148 Y175 R176 L199 Q200 V203 F227 I228 | F148-Y205 HydrophobicContact CE1-CD2 4.48Å; F148-Y205 HydrophobicContact CE1-CE2 4.25Å; F148-Y205 HydrophobicContact CZ-CD2 4.15Å; F148-Y205 HydrophobicContact CZ-CE2 4.29Å; Y175-Y205 HydrophobicContact CD2-CD1 4.08Å; Y175-Y205 HydrophobicContact CD2-CE1 4.45Å; R176-Y205 CarbonylContact O-C 3.5Å; R176-Y205 VanDerWaalsContact O-CA 3.24Å; R176-Y205 WeakPolarHBondContact O-CA 3.47Å; R176-Y205 WeakPolarHBondContact O-CD1 3.5Å; L199-Y205 HydrophobicContact CB-CD2 4.46Å; L199-Y205 HydrophobicContact CB-CE2 3.91Å; L199-Y205 HydrophobicContact CD2-CD1 4.15Å; L199-Y205 HydrophobicContact CD2-CD2 3.85Å; L199-Y205 HydrophobicContact CD2-CE1 4.4Å; L199-Y205 HydrophobicContact CD2-CE2 4.08Å; L199-Y205 HydrophobicContact CD2-CG 3.87Å; L199-Y205 HydrophobicContact CG-CD2 4.44Å; L199-Y205 HydrophobicContact CG-CE1 4.34Å; L199-Y205 HydrophobicContact CG-CE2 4.17Å; Q200-Y205 PolarHBondContact N-OH 2.98Å; Q200-Y205 WeakPolarHBondContact O-CE2 3.06Å; V203-Y205 HydrophobicContact CB-CD2 4.43Å; V203-Y205 HydrophobicContact CB-CE2 3.8Å; V203-Y205 HydrophobicContact CG1-CD2 4.29Å; V203-Y205 HydrophobicContact CG1-CE1 4.41Å; V203-Y205 HydrophobicContact CG1-CE2 3.84Å; Y205-F227 CarbonylContact O-C 3.55Å; Y205-F227 WeakPolarHBondContact O-CA 3.27Å; Y205-I228 PolarHBondContact N-O 2.89Å; Y205-I228 PolarHBondContact O-N 2.93Å |
| 206 | E | 96.8 | Very high | 94 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.6 | 171.1 | -173.5 | -172.9 | -178.9 | 0 | 0 | 108 | Y175 R176 W183 F227 | Y175-E206 CarbonylContact C-O 3.55Å; Y175-E206 VanDerWaalsContact CA-O 3.26Å; Y175-E206 WeakPolarHBondContact CA-O 3.34Å; R176-E206 HydrophobicContact CG-CB 4.2Å; R176-E206 IonicContact CZ-OE2 2.93Å; R176-E206 PolarHBondContact N-O 2.91Å; R176-E206 IonicContact NE-OE2 2.97Å; R176-E206 PolarHBondContact NE-OE2 3.35Å; R176-E206 IonicContact NH2-OE1 3.02Å; R176-E206 IonicContact NH2-OE2 3.09Å; R176-E206 PolarHBondContact NH2-OE2 2.94Å; R176-E206 PolarHBondContact O-N 3.02Å; W183-E206 HydrophobicContact CH2-CB 4.28Å; W183-E206 HydrophobicContact CH2-CG 3.79Å; W183-E206 WeakPolarHBondContact CZ3-O 3.14Å; E206-F227 HydrophobicContact CB-CD1 3.98Å; E206-F227 HydrophobicContact CB-CE1 3.73Å; E206-F227 HydrophobicContact CG-CD1 4.2Å; E206-F227 HydrophobicContact CG-CE1 3.64Å; E206-F227 HydrophobicContact CG-CZ 4.03Å |
| 207 | V | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138 | -176.8 | -173 | 0 | 0 | 0 | 0 | 109.8 | L134 L152 Q174 L196 S225 V226 I228 | L134-V207 HydrophobicContact CD2-CG1 4.49Å; L152-V207 HydrophobicContact CD1-CG1 3.52Å; L152-V207 HydrophobicContact CD2-CB 4.47Å; L152-V207 HydrophobicContact CD2-CG1 3.82Å; L152-V207 HydrophobicContact CD2-CG2 4.39Å; L152-V207 HydrophobicContact CG-CG1 4.31Å; Q174-V207 WeakPolarHBondContact O-CA 3.44Å; Q174-V207 WeakPolarHBondContact O-CG1 3.14Å; L196-V207 HydrophobicContact CD1-CG2 4.22Å; V207-S225 CarbonylContact O-C 3.59Å; V207-S225 VanDerWaalsContact O-CA 3.25Å; V207-S225 WeakPolarHBondContact O-CA 3.47Å; V207-V226 PolarHBondContact N-O 2.91Å; V207-V226 PolarHBondContact O-N 2.91Å; V207-I228 HydrophobicContact CG2-CD1 3.66Å; V207-I228 HydrophobicContact CG2-CG1 4.08Å |
| 208 | R | 96.9 | Very high | 93.4 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 153 | 175 | 64.7 | -175 | -176.4 | 178.8 | 3.3 | 110.7 | Q174 W183 F222 | Q174-R208 HydrophobicContact CB-CG 4.41Å; Q174-R208 PolarHBondContact N-O 3.01Å; Q174-R208 PolarHBondContact O-N 2.73Å; W183-R208 VanDerWaalsContact CD1-NH2 3.32Å; W183-R208 HydrophobicContact CE3-CG 4.21Å; W183-R208 HydrophobicContact CH2-CB 4.39Å; W183-R208 VanDerWaalsContact CH2-CD 3.44Å; W183-R208 HydrophobicContact CH2-CG 3.68Å; W183-R208 HydrophobicContact CZ2-CG 4.32Å; W183-R208 VanDerWaalsContact CZ2-CZ 3.46Å; W183-R208 HydrophobicContact CZ3-CB 4.49Å; W183-R208 HydrophobicContact CZ3-CG 3.63Å; W183-R208 VanDerWaalsContact NE1-NH2 3.17Å; R208-F222 HydrophobicContact CB-CD1 4.13Å; R208-F222 HydrophobicContact CG-CD1 3.54Å; R208-F222 HydrophobicContact CG-CE1 3.89Å; R208-F222 HydrophobicContact CG-CG 4.2Å |
| 209 | V | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.6 | -178.4 | -174 | 0 | 0 | 0 | 0 | 109.2 | P131 L134 W154 Y171 D172 A173 S223 | P131-V209 HydrophobicContact CG-CG1 4.25Å; L134-V209 HydrophobicContact CD1-CG2 3.59Å; L134-V209 HydrophobicContact CD2-CG2 4.03Å; L134-V209 HydrophobicContact CG-CG2 4.44Å; W154-V209 HydrophobicContact CD2-CG1 4.07Å; W154-V209 HydrophobicContact CD2-CG2 4.27Å; W154-V209 HydrophobicContact CE3-CG1 4.36Å; W154-V209 HydrophobicContact CE3-CG2 3.82Å; W154-V209 HydrophobicContact CH2-CG1 4.34Å; W154-V209 HydrophobicContact CH2-CG2 4.45Å; W154-V209 HydrophobicContact CZ2-CG1 4.09Å; W154-V209 HydrophobicContact CZ3-CG1 4.47Å; W154-V209 HydrophobicContact CZ3-CG2 3.89Å; Y171-V209 HydrophobicContact CD1-CG1 4.4Å; D172-V209 WeakPolarHBondContact O-CA 3.11Å; A173-V209 HydrophobicContact CB-CG1 4.49Å; A173-V209 HydrophobicContact CB-CG2 3.84Å; V209-S223 PolarHBondContact N-OG 2.89Å; V209-S223 VanDerWaalsContact N-OG 3.1Å; V209-S223 VanDerWaalsContact O-CB 3.29Å; V209-S223 WeakPolarHBondContact O-CB 3.29Å; V209-S223 PolarHBondContact O-N 2.92Å; V209-S223 PolarHBondContact O-OG 3.05Å |
| 210 | R | 96.9 | Very high | 93.5 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164 | 169.4 | 60 | -178.9 | 174.1 | 173.9 | 4.1 | 109.5 | Y171 D172 F219 D221 F222 | Y171-R210 WeakPolarHBondContact CA-O 3.04Å; D172-R210 HydrophobicContact CB-CG 4.1Å; D172-R210 PolarHBondContact N-O 3.46Å; D172-R210 PolarHBondContact O-N 3.41Å; D172-R210 IonicContact OD2-CZ 3.19Å; D172-R210 IonicContact OD2-NE 2.8Å; D172-R210 PolarHBondContact OD2-NE 3.08Å; D172-R210 VanDerWaalsContact OD2-NE 3.09Å; D172-R210 IonicContact OD2-NH2 2.74Å; D172-R210 PolarHBondContact OD2-NH2 2.64Å; R210-F219 HydrophobicContact CG-CD1 3.95Å; R210-D221 WeakPolarHBondContact CB-O 3.43Å; R210-F222 HydrophobicContact CB-CD1 3.73Å; R210-F222 HydrophobicContact CB-CE1 4.04Å; R210-F222 HydrophobicContact CB-CG 4.2Å; R210-F222 VanDerWaalsContact CD-CZ 3.4Å; R210-F222 HydrophobicContact CG-CD1 3.85Å; R210-F222 HydrophobicContact CG-CE1 3.61Å; R210-F222 HydrophobicContact CG-CZ 4.17Å |
| 211 | C | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 162.4 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | D129 P131 Q170 Y171 G220 | D129-C211 PolarHBondContact O-SG 2.85Å; P131-C211 HydrophobicContact CG-CB 3.93Å; Q170-C211 CarbonylContact O-C 3.54Å; Q170-C211 VanDerWaalsContact O-CA 3.26Å; Q170-C211 WeakPolarHBondContact O-CA 3.33Å; Y171-C211 HydrophobicContact CD1-CB 3.55Å; Y171-C211 HydrophobicContact CE1-CB 3.7Å; Y171-C211 HydrophobicContact CG-CB 4.38Å; C211-G220 PolarHBondContact O-N 2.95Å |
| 212 | K | 95.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.9 | 168.1 | 64.1 | 169.1 | -170.5 | 155.7 | 0 | 109.7 | L169 Q170 G216 D218 F219 | L169-K212 CarbonylContact C-O 3.53Å; L169-K212 WeakPolarHBondContact CA-O 2.97Å; Q170-K212 HydrophobicContact CB-CG 4.32Å; Q170-K212 PolarHBondContact N-O 3.26Å; Q170-K212 PolarHBondContact O-N 3.08Å; K212-G216 PolarHBondContact NZ-O 2.72Å; K212-D218 WeakPolarHBondContact CB-O 3.31Å; K212-F219 HydrophobicContact CB-CD1 3.74Å; K212-F219 HydrophobicContact CB-CE1 4.1Å; K212-F219 HydrophobicContact CB-CG 4.12Å; K212-F219 HydrophobicContact CD-CD1 3.99Å; K212-F219 HydrophobicContact CD-CD2 4.2Å; K212-F219 HydrophobicContact CD-CE1 3.63Å; K212-F219 HydrophobicContact CD-CE2 3.86Å; K212-F219 HydrophobicContact CD-CG 4.27Å; K212-F219 HydrophobicContact CD-CZ 3.57Å; K212-F219 HydrophobicContact CG-CD1 3.8Å; K212-F219 HydrophobicContact CG-CE1 3.6Å; K212-F219 HydrophobicContact CG-CG 4.44Å; K212-F219 HydrophobicContact CG-CZ 4.09Å |
| 213 | M | 93.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.9 | 168.6 | -169.9 | 170.7 | 68.7 | 0 | 0 | 110.3 | M37 E123 V126 A168 A215 G216 | M37-M213 HydrophobicContact SD-CE 4.31Å; M37-M213 HydrophobicContact SD-SD 3.58Å; E123-M213 HydrophobicContact CB-CE 3.89Å; E123-M213 VanDerWaalsContact O-CE 3.31Å; E123-M213 WeakPolarHBondContact O-CE 3.4Å; V126-M213 HydrophobicContact CB-CB 4.49Å; V126-M213 HydrophobicContact CB-CE 4.14Å; V126-M213 HydrophobicContact CB-SD 4.25Å; V126-M213 HydrophobicContact CG1-CB 4.09Å; V126-M213 HydrophobicContact CG1-SD 4.12Å; V126-M213 HydrophobicContact CG2-CE 4.04Å; V126-M213 HydrophobicContact CG2-SD 4.16Å; A168-M213 CarbonylContact O-C 3.59Å; A168-M213 WeakPolarHBondContact O-CA 2.98Å; M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.28Å; M213-G216 WeakPolarHBondContact O-CA 3.46Å; M213-G216 PolarHBondContact O-N 3.02Å |
| 214 | L | 90.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -41.8 | -174.4 | 179.3 | 62.9 | 0 | 0 | 0 | 113 | A168 Q170 K190 | A168-L214 HydrophobicContact CB-CB 4.01Å; A168-L214 HydrophobicContact CB-CD2 4.28Å; A168-L214 WeakPolarHBondContact O-CB 3.42Å; A168-L214 PolarHBondContact O-N 2.99Å; Q170-L214 HydrophobicContact CB-CD1 4.37Å; K190-L214 HydrophobicContact CD-CD1 4.31Å; K190-L214 HydrophobicContact CG-CD1 4.48Å |
| 215 | A | 86.1 | Confident | 94.2 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M213 | M213-A215 VanDerWaalsContact C-N 3.32Å; M213-A215 PolarHBondContact O-N 3.28Å |
| 216 | G | 85.3 | Confident | 94.2 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | trans | -78.4 | 149.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K212 M213 | K212-G216 PolarHBondContact NZ-O 2.72Å; M213-G216 WeakPolarHBondContact O-CA 3.46Å; M213-G216 PolarHBondContact O-N 3.02Å | ||
| 217 | K | 86.5 | Confident | 94.1 | Very high | 164 Ų | 164 | 54 Ų | 54 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -84.1 | -47.1 | 179.2 | -171 | 179.6 | 178.3 | -174 | 0 | 111.9 | ||
| 218 | D | 91.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 54 Ų | 54 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -95.6 | 149.3 | -169.7 | -65.5 | -20.2 | 0 | 0 | 0 | 112.3 | Q127 K212 | Q127-D218 HydrophobicContact CG-CB 3.77Å; Q127-D218 PolarHBondContact NE2-OD2 2.87Å; K212-D218 WeakPolarHBondContact CB-O 3.31Å |
| 219 | F | 95.3 | Very high | 94 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | trans | -93.5 | 146.1 | 173 | -70.5 | -92.8 | 0 | 0 | 0 | 110.8 | D172 L188 R210 K212 | D172-F219 HydrophobicContact CB-CD1 4.48Å; D172-F219 HydrophobicContact CB-CE1 3.79Å; D172-F219 HydrophobicContact CB-CZ 4.4Å; L188-F219 HydrophobicContact CD2-CE1 3.89Å; L188-F219 HydrophobicContact CD2-CZ 3.85Å; R210-F219 HydrophobicContact CG-CD1 3.95Å; K212-F219 HydrophobicContact CB-CD1 3.74Å; K212-F219 HydrophobicContact CB-CE1 4.1Å; K212-F219 HydrophobicContact CB-CG 4.12Å; K212-F219 HydrophobicContact CD-CD1 3.99Å; K212-F219 HydrophobicContact CD-CD2 4.2Å; K212-F219 HydrophobicContact CD-CE1 3.63Å; K212-F219 HydrophobicContact CD-CE2 3.86Å; K212-F219 HydrophobicContact CD-CG 4.27Å; K212-F219 HydrophobicContact CD-CZ 3.57Å; K212-F219 HydrophobicContact CG-CD1 3.8Å; K212-F219 HydrophobicContact CG-CE1 3.6Å; K212-F219 HydrophobicContact CG-CG 4.44Å; K212-F219 HydrophobicContact CG-CZ 4.09Å | ||
| 220 | G | 94.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | trans | -68.2 | -178.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P128 C211 | P128-G220 VanDerWaalsContact O-CA 3.24Å; P128-G220 WeakPolarHBondContact O-CA 3.41Å; C211-G220 PolarHBondContact O-N 2.95Å | ||
| 221 | D | 96 | Very high | 93.3 | Very high | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 161.2 | 177 | -62.4 | -57.1 | 0 | 0 | 0 | 111.3 | R35 P130 R210 | R35-D221 IonicContact CZ-OD2 3.61Å; R35-D221 IonicContact NH1-OD2 3.72Å; R35-D221 IonicContact NH2-OD2 3.81Å; R35-D221 PolarHBondContact NH2-OD2 2.87Å; P130-D221 WeakPolarHBondContact CB-O 2.97Å; P130-D221 HydrophobicContact CG-CB 4.47Å; R210-D221 WeakPolarHBondContact CB-O 3.43Å |
| 222 | F | 96.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 147 | 173.7 | -75.4 | -80.1 | 0 | 0 | 0 | 111.2 | Q174 R208 R210 | Q174-F222 HydrophobicContact CG-CE1 4.39Å; R208-F222 HydrophobicContact CB-CD1 4.13Å; R208-F222 HydrophobicContact CG-CD1 3.54Å; R208-F222 HydrophobicContact CG-CE1 3.89Å; R208-F222 HydrophobicContact CG-CG 4.2Å; R210-F222 HydrophobicContact CB-CD1 3.73Å; R210-F222 HydrophobicContact CB-CE1 4.04Å; R210-F222 HydrophobicContact CB-CG 4.2Å; R210-F222 VanDerWaalsContact CD-CZ 3.4Å; R210-F222 HydrophobicContact CG-CD1 3.85Å; R210-F222 HydrophobicContact CG-CE1 3.61Å; R210-F222 HydrophobicContact CG-CZ 4.17Å |
| 223 | S | 97 | Very high | 91.5 | Very high | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 163.6 | 167.2 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | P131 V209 S225 | P131-S223 WeakPolarHBondContact O-CB 3.36Å; V209-S223 PolarHBondContact N-OG 2.89Å; V209-S223 VanDerWaalsContact N-OG 3.1Å; V209-S223 VanDerWaalsContact O-CB 3.29Å; V209-S223 WeakPolarHBondContact O-CB 3.29Å; V209-S223 PolarHBondContact O-N 2.92Å; V209-S223 PolarHBondContact O-OG 3.05Å; S223-S225 PolarHBondContact O-N 2.87Å |
| 224 | D | 95.3 | Very high | 90.1 | Very high | 151 Ų | 151 | 70.4 Ų | 70.4 | 81% | 0.807 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 138.2 | 164 | -64.3 | -41.6 | 0 | 0 | 0 | 110.3 | ||
| 225 | S | 95.6 | Very high | 88.5 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 141.3 | -175.5 | -59.9 | 0 | 0 | 0 | 0 | 111 | V207 S223 | V207-S225 CarbonylContact O-C 3.59Å; V207-S225 VanDerWaalsContact O-CA 3.25Å; V207-S225 WeakPolarHBondContact O-CA 3.47Å; S223-S225 PolarHBondContact O-N 2.87Å |
| 226 | V | 96.1 | Very high | 87.3 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.8 | 179.2 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L134 V207 | L134-V226 HydrophobicContact CB-CG2 4.09Å; L134-V226 HydrophobicContact CD2-CB 4.3Å; L134-V226 HydrophobicContact CD2-CG2 3.98Å; L134-V226 HydrophobicContact CG-CB 4.43Å; L134-V226 HydrophobicContact CG-CG2 3.9Å; L134-V226 WeakPolarHBondContact O-CG2 3.29Å; V207-V226 PolarHBondContact N-O 2.91Å; V207-V226 PolarHBondContact O-N 2.91Å |
| 227 | F | 96 | Very high | 86 | Confident | 122 Ų | 122 | 84.6 Ų | 84.6 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.2 | 179.6 | -61.6 | -85.1 | 0 | 0 | 0 | 111.7 | W136 A178 Y205 E206 | W136-F227 PolarHBondContact NE1-O 2.88Å; A178-F227 HydrophobicContact CB-CD1 4.43Å; A178-F227 HydrophobicContact CB-CE1 4.35Å; Y205-F227 CarbonylContact O-C 3.55Å; Y205-F227 WeakPolarHBondContact O-CA 3.27Å; E206-F227 HydrophobicContact CB-CD1 3.98Å; E206-F227 HydrophobicContact CB-CE1 3.73Å; E206-F227 HydrophobicContact CG-CD1 4.2Å; E206-F227 HydrophobicContact CG-CE1 3.64Å; E206-F227 HydrophobicContact CG-CZ 4.03Å |
| 228 | I | 95.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.7 | 175.8 | -50.5 | -177.7 | 0 | 0 | 0 | 107.8 | W136 F148 A150 L152 L196 Y205 V207 I230 | W136-I228 HydrophobicContact CB-CD1 4.01Å; W136-I228 HydrophobicContact CB-CG1 4.37Å; W136-I228 HydrophobicContact CD2-CB 4.41Å; W136-I228 HydrophobicContact CD2-CD1 4.24Å; W136-I228 HydrophobicContact CD2-CG1 3.94Å; W136-I228 HydrophobicContact CD2-CG2 3.94Å; W136-I228 HydrophobicContact CE3-CG2 3.97Å; W136-I228 HydrophobicContact CG-CD1 3.91Å; W136-I228 HydrophobicContact CG-CG1 3.76Å; W136-I228 HydrophobicContact CH2-CG2 4.01Å; W136-I228 HydrophobicContact CZ2-CG2 3.97Å; W136-I228 HydrophobicContact CZ3-CG2 4.01Å; F148-I228 HydrophobicContact CE2-CG2 3.79Å; F148-I228 HydrophobicContact CZ-CG2 3.76Å; A150-I228 HydrophobicContact CB-CD1 4.42Å; L152-I228 HydrophobicContact CD2-CD1 4.03Å; L196-I228 HydrophobicContact CD1-CD1 4.34Å; Y205-I228 PolarHBondContact N-O 2.89Å; Y205-I228 PolarHBondContact O-N 2.93Å; V207-I228 HydrophobicContact CG2-CD1 3.66Å; V207-I228 HydrophobicContact CG2-CG1 4.08Å; I228-I230 HydrophobicContact CG2-CD1 4.38Å |
| 229 | H | 94.1 | Very high | 84.3 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 39% | 0.389 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 122 | 172.5 | 178.3 | 77.4 | 0 | 0 | 0 | 109.5 | N204 | N204-H229 WeakPolarHBondContact OD1-CB 3.47Å; N204-H229 VanDerWaalsContact OD1-CG 3.24Å; N204-H229 PolarHBondContact OD1-ND1 3.07Å |
| 230 | I | 92.9 | Very high | 83.4 | Confident | 16 Ų | 16 | 84.3 Ų | 84.3 | 8% | 0.082 | 44% | 0.436 | C | S | . | . | trans | -123.3 | 117.4 | 174.8 | -70.9 | 158 | 0 | 0 | 0 | 108.2 | W136 L138 F148 T201 N202 I228 | W136-I230 HydrophobicContact CH2-CD1 4.16Å; W136-I230 HydrophobicContact CH2-CG1 4.01Å; W136-I230 HydrophobicContact CZ3-CD1 3.91Å; W136-I230 HydrophobicContact CZ3-CG1 4.28Å; L138-I230 HydrophobicContact CD1-CD1 3.58Å; L138-I230 HydrophobicContact CD2-CD1 4.48Å; L138-I230 HydrophobicContact CG-CD1 4.46Å; F148-I230 HydrophobicContact CB-CD1 4.17Å; F148-I230 HydrophobicContact CD1-CB 4.13Å; F148-I230 HydrophobicContact CD1-CD1 3.9Å; F148-I230 HydrophobicContact CD2-CD1 3.26Å; F148-I230 HydrophobicContact CE1-CB 4.22Å; F148-I230 HydrophobicContact CE1-CD1 4.05Å; F148-I230 HydrophobicContact CE2-CD1 3.47Å; F148-I230 VanDerWaalsContact CE2-CD1 3.47Å; F148-I230 HydrophobicContact CG-CB 4.48Å; F148-I230 HydrophobicContact CG-CD1 3.49Å; F148-I230 VanDerWaalsContact CG-CD1 3.49Å; F148-I230 HydrophobicContact CZ-CD1 3.85Å; T201-I230 HydrophobicContact CG2-CG2 4.34Å; N202-I230 PolarHBondContact N-O 2.84Å; I228-I230 HydrophobicContact CG2-CD1 4.38Å | ||
| 231 | P | 88 | Confident | 82.7 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | trans | -65.9 | 138.3 | 178.7 | 27.7 | -33.7 | 0 | 0 | 0 | 109.9 | ||||
| 232 | S | 82.1 | Confident | 82.2 | Confident | 47 Ų | 47 | 85.8 Ų | 85.8 | 33% | 0.329 | 45% | 0.446 | S | S | . | . | trans | -73.8 | 131.5 | 178.7 | 76.8 | 0 | 0 | 0 | 0 | 109.8 | T201 V234 | T201-S232 WeakPolarHBondContact OG1-CB 3.4Å; S232-V234 PolarHBondContact O-N 2.87Å | ||
| 233 | K | 71.5 | Confident | 81.8 | Confident | 193 Ų | 193 | 88 Ų | 88 | 84% | 0.839 | 46% | 0.46 | S | S | * | . | trans | -87 | 10.7 | 175.3 | -68.1 | -175.9 | -178.3 | 175.6 | 0 | 112.4 | S235 | K233-S235 VanDerWaalsContact C-N 3.34Å; K233-S235 PolarHBondContact O-N 2.8Å | ||
| 234 | V | 64.9 | Low | 81.4 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | trans | -66.4 | 100.9 | -179.6 | -155.7 | 0 | 0 | 0 | 0 | 106.8 | T144 G145 S232 R236 | T144-V234 WeakPolarHBondContact O-CG2 3.47Å; G145-V234 WeakPolarHBondContact O-CG2 3.1Å; S232-V234 PolarHBondContact O-N 2.87Å; V234-R236 PolarHBondContact O-N 2.8Å | ||
| 235 | S | 56.5 | Low | 81.3 | Confident | 95 Ų | 95 | 91.9 Ų | 91.9 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | trans | -51.4 | 102.6 | 153.4 | 160.7 | 0 | 0 | 0 | 0 | 104 | K233 F237 | K233-S235 VanDerWaalsContact C-N 3.34Å; K233-S235 PolarHBondContact O-N 2.8Å; S235-F237 PolarHBondContact O-N 2.77Å | ||
| 236 | R | 61 | Low | 81.2 | Confident | 231 Ų | 231 | 91.7 Ų | 91.7 | 87% | 0.872 | 48% | 0.478 | S | S | * | . | trans | -49.3 | 103.4 | 166.5 | -74.5 | 179.5 | 178.2 | 154.3 | -0.4 | 103.6 | V234 P238 | V234-R236 PolarHBondContact O-N 2.8Å; R236-P238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | F | 59.1 | Low | 81.1 | Confident | 142 Ų | 142 | 92.5 Ų | 92.5 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | trans | -47.6 | 130 | 176.1 | -171.5 | -102.4 | 0 | 0 | 0 | 104.3 | S235 V239 L242 | S235-F237 PolarHBondContact O-N 2.77Å; F237-V239 HydrophobicContact CB-CG2 4.3Å; F237-V239 HydrophobicContact CD1-CG2 3.73Å; F237-V239 PolarHBondContact O-N 3.22Å; F237-L242 HydrophobicContact CD1-CD1 4.1Å; F237-L242 HydrophobicContact CE1-CD1 3.28Å; F237-L242 HydrophobicContact CZ-CD1 3.96Å | ||
| 238 | P | 71 | Confident | 81.1 | Confident | 69 Ų | 69 | 91.9 Ų | 91.9 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | trans | -76.5 | 56.9 | -168.1 | 34.2 | -38 | 0 | 0 | 0 | 108.7 | R236 M240 A241 L242 | R236-P238 VanDerWaalsContact O-N 3.11Å; P238-M240 PolarHBondContact O-N 3.03Å; P238-A241 HydrophobicContact CB-CB 3.74Å; P238-A241 CarbonylContact O-C 3.59Å; P238-A241 VanDerWaalsContact O-CA 3.32Å; P238-A241 WeakPolarHBondContact O-CA 3.43Å; P238-A241 WeakPolarHBondContact O-CB 3.48Å; P238-A241 PolarHBondContact O-N 2.85Å; P238-L242 PolarHBondContact O-N 3.01Å | ||
| 239 | V | 71.7 | Confident | 81.1 | Confident | 76 Ų | 76 | 99 Ų | 99 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -51.4 | -40.9 | 171.7 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | F237 A241 L242 L243 | F237-V239 HydrophobicContact CB-CG2 4.3Å; F237-V239 HydrophobicContact CD1-CG2 3.73Å; F237-V239 PolarHBondContact O-N 3.22Å; V239-A241 VanDerWaalsContact C-N 3.35Å; V239-A241 PolarHBondContact O-N 2.86Å; V239-L242 PolarHBondContact O-N 2.84Å; V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.3Å; V239-L243 WeakPolarHBondContact O-CB 3.14Å; V239-L243 WeakPolarHBondContact O-CG 3.17Å; V239-L243 PolarHBondContact O-N 3.38Å |
| 240 | M | 74.9 | Confident | 81.1 | Confident | 133 Ų | 133 | 100.4 Ų | 100.4 | 66% | 0.655 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 172.2 | -67.1 | -54.4 | -63 | 0 | 0 | 112.5 | P238 L243 I244 | P238-M240 PolarHBondContact O-N 3.03Å; M240-L243 PolarHBondContact O-N 3.14Å; M240-L243 HydrophobicContact SD-CD1 4.2Å; M240-I244 WeakPolarHBondContact O-CB 3.25Å; M240-I244 WeakPolarHBondContact O-CD1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.37Å; M240-I244 PolarHBondContact O-N 3.01Å |
| 241 | A | 80.9 | Confident | 81.2 | Confident | 34 Ų | 34 | 103.3 Ų | 103.3 | 28% | 0.281 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P238 V239 L243 I244 F245 | P238-A241 HydrophobicContact CB-CB 3.74Å; P238-A241 CarbonylContact O-C 3.59Å; P238-A241 VanDerWaalsContact O-CA 3.32Å; P238-A241 WeakPolarHBondContact O-CA 3.43Å; P238-A241 WeakPolarHBondContact O-CB 3.48Å; P238-A241 PolarHBondContact O-N 2.85Å; V239-A241 VanDerWaalsContact C-N 3.35Å; V239-A241 PolarHBondContact O-N 2.86Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.45Å; A241-I244 CarbonylContact O-C 3.47Å; A241-I244 PolarHBondContact O-N 3.47Å; A241-F245 HydrophobicContact CB-CD2 4.42Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 WeakPolarHBondContact O-CD2 3.45Å; A241-F245 PolarHBondContact O-N 3.06Å |
| 242 | L | 85.6 | Confident | 81.5 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 175.4 | -73.9 | 171.2 | 0 | 0 | 0 | 112.5 | F237 P238 V239 G246 | F237-L242 HydrophobicContact CD1-CD1 4.1Å; F237-L242 HydrophobicContact CE1-CD1 3.28Å; F237-L242 HydrophobicContact CZ-CD1 3.96Å; P238-L242 PolarHBondContact O-N 3.01Å; V239-L242 PolarHBondContact O-N 2.84Å; L242-G246 PolarHBondContact O-N 2.97Å |
| 243 | L | 87.6 | Confident | 82.1 | Confident | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.1 | -40.4 | 172.4 | -70.8 | 173.9 | 0 | 0 | 0 | 110.9 | V239 M240 A241 A247 | V239-L243 HydrophobicContact CG1-CD1 4.13Å; V239-L243 HydrophobicContact CG1-CG 4.3Å; V239-L243 WeakPolarHBondContact O-CB 3.14Å; V239-L243 WeakPolarHBondContact O-CG 3.17Å; V239-L243 PolarHBondContact O-N 3.38Å; M240-L243 PolarHBondContact O-N 3.14Å; M240-L243 HydrophobicContact SD-CD1 4.2Å; A241-L243 VanDerWaalsContact C-N 3.34Å; A241-L243 PolarHBondContact O-N 3.45Å; L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 2.01Å |
| 244 | I | 89.9 | Confident | 83 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -48.2 | 174.5 | -67.6 | 161 | 0 | 0 | 0 | 110.8 | M240 A241 G246 A247 L248 | M240-I244 WeakPolarHBondContact O-CB 3.25Å; M240-I244 WeakPolarHBondContact O-CD1 3.31Å; M240-I244 WeakPolarHBondContact O-CG1 3.37Å; M240-I244 PolarHBondContact O-N 3.01Å; A241-I244 CarbonylContact O-C 3.47Å; A241-I244 PolarHBondContact O-N 3.47Å; I244-G246 PolarHBondContact O-N 3.23Å; I244-A247 PolarHBondContact O-N 3.07Å; I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.28Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.12Å |
| 245 | F | 91.7 | Very high | 84.2 | Confident | 145 Ų | 145 | 98.5 Ų | 98.5 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 176.9 | -84.9 | -71 | 0 | 0 | 0 | 111.8 | A241 L248 F249 | A241-F245 HydrophobicContact CB-CD2 4.42Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 WeakPolarHBondContact O-CD2 3.45Å; A241-F245 PolarHBondContact O-N 3.06Å; F245-L248 PolarHBondContact O-N 3.35Å; F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.27Å; F245-F249 PolarHBondContact O-N 2.9Å |
| 246 | G | 94.4 | Very high | 85.7 | Confident | 41 Ų | 41 | 99.4 Ų | 99.4 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L242 I244 F249 L250 | L242-G246 PolarHBondContact O-N 2.97Å; I244-G246 PolarHBondContact O-N 3.23Å; G246-F249 PolarHBondContact O-N 2.9Å; G246-L250 WeakPolarHBondContact O-CB 3.41Å; G246-L250 PolarHBondContact O-N 3.02Å |
| 247 | A | 94.3 | Very high | 86.9 | Confident | 54 Ų | 54 | 91.9 Ų | 91.9 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L243 I244 F249 L250 V251 | L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.49Å; L243-A247 PolarHBondContact O-N 2.01Å; I244-A247 PolarHBondContact O-N 3.07Å; A247-F249 VanDerWaalsContact C-N 3.32Å; A247-F249 PolarHBondContact O-N 2.63Å; A247-L250 WeakPolarHBondContact O-CB 3.36Å; A247-L250 PolarHBondContact O-N 3.02Å; A247-V251 WeakPolarHBondContact O-CG2 3.14Å; A247-V251 PolarHBondContact O-N 3.16Å |
| 248 | L | 95.5 | Very high | 88.1 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 176 | -72.9 | 172.5 | 0 | 0 | 0 | 111.7 | I244 F245 V251 A252 | I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.4Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.28Å; I244-L248 WeakPolarHBondContact O-CG 3.47Å; I244-L248 PolarHBondContact O-N 3.12Å; F245-L248 PolarHBondContact O-N 3.35Å; L248-V251 PolarHBondContact O-N 3.11Å; L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.88Å |
| 249 | F | 94.6 | Very high | 88.6 | Confident | 152 Ų | 152 | 91.6 Ų | 91.6 | 67% | 0.667 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 175.3 | -173.7 | -99.5 | 0 | 0 | 0 | 111.7 | F245 G246 A247 V251 A252 V253 | F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.27Å; F245-F249 PolarHBondContact O-N 2.9Å; G246-F249 PolarHBondContact O-N 2.9Å; A247-F249 VanDerWaalsContact C-N 3.32Å; A247-F249 PolarHBondContact O-N 2.63Å; F249-V251 PolarHBondContact O-N 3.46Å; F249-A252 PolarHBondContact O-N 2.04Å; F249-V253 HydrophobicContact CD1-CG2 4.19Å; F249-V253 HydrophobicContact CE1-CG2 3.86Å; F249-V253 HydrophobicContact CZ-CG2 4.11Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.22Å |
| 250 | L | 95.2 | Very high | 88.8 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 59% | 0.586 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 175.1 | -166 | 89.2 | 0 | 0 | 0 | 111.5 | G246 A247 V253 L254 | G246-L250 WeakPolarHBondContact O-CB 3.41Å; G246-L250 PolarHBondContact O-N 3.02Å; A247-L250 WeakPolarHBondContact O-CB 3.36Å; A247-L250 PolarHBondContact O-N 3.02Å; L250-V253 PolarHBondContact O-N 2.8Å; L250-L254 HydrophobicContact CD2-CD1 4.42Å; L250-L254 HydrophobicContact CG-CD1 4.41Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.38Å; L250-L254 PolarHBondContact O-N 3.19Å |
| 251 | V | 95.2 | Very high | 88.6 | Confident | 77 Ų | 77 | 90 Ų | 90 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | A247 L248 F249 V253 L254 L255 | A247-V251 WeakPolarHBondContact O-CG2 3.14Å; A247-V251 PolarHBondContact O-N 3.16Å; L248-V251 PolarHBondContact O-N 3.11Å; F249-V251 PolarHBondContact O-N 3.46Å; V251-V253 PolarHBondContact O-N 2.87Å; V251-L254 PolarHBondContact O-N 3.21Å; V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.41Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.29Å; V251-L255 PolarHBondContact O-N 2.88Å |
| 252 | A | 94.3 | Very high | 87.7 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L248 F249 L255 L256 | L248-A252 WeakPolarHBondContact O-CB 3.45Å; L248-A252 PolarHBondContact O-N 2.88Å; F249-A252 PolarHBondContact O-N 2.04Å; A252-L255 PolarHBondContact O-N 3.09Å; A252-L256 PolarHBondContact O-N 3.45Å |
| 253 | V | 93.8 | Very high | 86.5 | Confident | 62 Ų | 62 | 95.8 Ų | 95.8 | 38% | 0.376 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | F249 L250 V251 L255 L256 V257 | F249-V253 HydrophobicContact CD1-CG2 4.19Å; F249-V253 HydrophobicContact CE1-CG2 3.86Å; F249-V253 HydrophobicContact CZ-CG2 4.11Å; F249-V253 WeakPolarHBondContact O-CG2 3.37Å; F249-V253 PolarHBondContact O-N 3.22Å; L250-V253 PolarHBondContact O-N 2.8Å; V251-V253 PolarHBondContact O-N 2.87Å; V253-L255 VanDerWaalsContact C-N 3.33Å; V253-L255 PolarHBondContact O-N 2.65Å; V253-L256 PolarHBondContact O-N 2.5Å; V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.49Å |
| 254 | L | 91.5 | Very high | 85.2 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.7 | -71.5 | 169.5 | 0 | 0 | 0 | 111.7 | L250 V251 V257 I258 | L250-L254 HydrophobicContact CD2-CD1 4.42Å; L250-L254 HydrophobicContact CG-CD1 4.41Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.38Å; L250-L254 PolarHBondContact O-N 3.19Å; V251-L254 PolarHBondContact O-N 3.21Å; L254-V257 PolarHBondContact O-N 3.01Å; L254-I258 VanDerWaalsContact O-CG1 3.25Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.9Å |
| 255 | L | 88.9 | Confident | 83.6 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 174.9 | -71.7 | 171.5 | 0 | 0 | 0 | 112.1 | V251 A252 V253 V257 I258 I259 | V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.41Å; V251-L255 WeakPolarHBondContact O-CB 3.4Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.29Å; V251-L255 PolarHBondContact O-N 2.88Å; A252-L255 PolarHBondContact O-N 3.09Å; V253-L255 VanDerWaalsContact C-N 3.33Å; V253-L255 PolarHBondContact O-N 2.65Å; L255-V257 VanDerWaalsContact C-N 3.35Å; L255-V257 PolarHBondContact O-N 3.01Å; L255-I258 PolarHBondContact O-N 3.05Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 3.44Å |
| 256 | L | 87.8 | Confident | 81.8 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 174.2 | -83.9 | 161.2 | 0 | 0 | 0 | 112.4 | A252 V253 I259 S260 | A252-L256 PolarHBondContact O-N 3.45Å; V253-L256 PolarHBondContact O-N 2.5Å; L256-I259 PolarHBondContact O-N 2.92Å; L256-S260 WeakPolarHBondContact O-CB 3.3Å; L256-S260 PolarHBondContact O-N 3.17Å; L256-S260 PolarHBondContact O-OG 2.87Å |
| 257 | V | 87.1 | Confident | 80 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 173.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | V253 L254 L255 S260 Q261 | V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.49Å; L254-V257 PolarHBondContact O-N 3.01Å; L255-V257 VanDerWaalsContact C-N 3.35Å; L255-V257 PolarHBondContact O-N 3.01Å; V257-S260 WeakPolarHBondContact CA-OG 3.19Å; V257-S260 PolarHBondContact O-OG 3.31Å; V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 VanDerWaalsContact O-CB 3.27Å; V257-Q261 WeakPolarHBondContact O-CB 3.08Å; V257-Q261 WeakPolarHBondContact O-CG 3.25Å; V257-Q261 PolarHBondContact O-N 3.02Å |
| 258 | I | 84.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.6 | -67.1 | 163.2 | 0 | 0 | 0 | 110.8 | L254 L255 Q261 Q262 | L254-I258 VanDerWaalsContact O-CG1 3.25Å; L254-I258 WeakPolarHBondContact O-CG1 3.42Å; L254-I258 PolarHBondContact O-N 2.9Å; L255-I258 PolarHBondContact O-N 3.05Å; I258-Q261 CarbonylContact O-C 3.43Å; I258-Q261 PolarHBondContact O-N 3.46Å; I258-Q262 WeakPolarHBondContact O-CG 3.42Å; I258-Q262 PolarHBondContact O-N 2.86Å |
| 259 | I | 81.9 | Confident | 76.4 | Confident | 110 Ų | 110 | 106.5 Ų | 106.5 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 180 | -66.3 | 164.8 | 0 | 0 | 0 | 111.7 | L255 L256 Q261 Q262 E263 | L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.4Å; L255-I259 PolarHBondContact O-N 3.44Å; L256-I259 PolarHBondContact O-N 2.92Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.48Å; I259-Q262 WeakPolarHBondContact O-CB 3.04Å; I259-Q262 PolarHBondContact O-N 2.9Å; I259-Q262 VanDerWaalsContact O-N 3.07Å; I259-E263 PolarHBondContact O-N 3.16Å |
| 260 | S | 75.4 | Confident | 74.5 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -32.6 | 175 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | L256 V257 E263 K264 | L256-S260 WeakPolarHBondContact O-CB 3.3Å; L256-S260 PolarHBondContact O-N 3.17Å; L256-S260 PolarHBondContact O-OG 2.87Å; V257-S260 WeakPolarHBondContact CA-OG 3.19Å; V257-S260 PolarHBondContact O-OG 3.31Å; S260-E263 PolarHBondContact O-N 3.09Å; S260-K264 PolarHBondContact O-N 3Å |
| 261 | Q | 69.7 | Low | 72.2 | Confident | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.2 | -32.3 | 169.1 | -69.7 | -85.6 | 29.6 | 0 | 0 | 111.6 | V257 I258 I259 E263 K264 L265 | V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 VanDerWaalsContact O-CB 3.27Å; V257-Q261 WeakPolarHBondContact O-CB 3.08Å; V257-Q261 WeakPolarHBondContact O-CG 3.25Å; V257-Q261 PolarHBondContact O-N 3.02Å; I258-Q261 CarbonylContact O-C 3.43Å; I258-Q261 PolarHBondContact O-N 3.46Å; I259-Q261 VanDerWaalsContact C-N 3.3Å; I259-Q261 PolarHBondContact O-N 3.48Å; Q261-E263 VanDerWaalsContact C-N 3.31Å; Q261-E263 PolarHBondContact O-N 3.3Å; Q261-K264 CarbonylContact O-C 3.59Å; Q261-K264 WeakPolarHBondContact O-CA 3.35Å; Q261-K264 PolarHBondContact O-N 3.33Å; Q261-K264 VanDerWaalsContact O-N 3.09Å; Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.25Å; Q261-L265 PolarHBondContact O-N 3.17Å |
| 262 | Q | 62.2 | Low | 70.1 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -33.6 | 172.9 | -69.6 | -72.8 | -21.1 | 0 | 0 | 112.2 | I258 I259 K264 L265 M266 | I258-Q262 WeakPolarHBondContact O-CG 3.42Å; I258-Q262 PolarHBondContact O-N 2.86Å; I259-Q262 WeakPolarHBondContact O-CB 3.04Å; I259-Q262 PolarHBondContact O-N 2.9Å; I259-Q262 VanDerWaalsContact O-N 3.07Å; Q262-K264 VanDerWaalsContact C-N 3.33Å; Q262-L265 CarbonylContact O-C 3.56Å; Q262-L265 PolarHBondContact O-N 3.42Å; Q262-M266 VanDerWaalsContact O-CB 3.23Å; Q262-M266 WeakPolarHBondContact O-CB 3.05Å; Q262-M266 PolarHBondContact O-N 3.22Å |
| 263 | E | 61 | Low | 67.9 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -36.9 | 171.5 | -67.6 | -145.4 | 166.3 | 0 | 0 | 112.1 | I259 S260 Q261 F267 | I259-E263 PolarHBondContact O-N 3.16Å; S260-E263 PolarHBondContact O-N 3.09Å; Q261-E263 VanDerWaalsContact C-N 3.31Å; Q261-E263 PolarHBondContact O-N 3.3Å; E263-F267 PolarHBondContact O-N 2.74Å |
| 264 | K | 59.6 | Low | 65.6 | Low | 149 Ų | 149 | 111.6 Ų | 111.6 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -30.1 | 171.3 | -70.5 | -160.3 | 176.1 | -177.8 | 0 | 113.2 | S260 Q261 Q262 F267 I268 | S260-K264 PolarHBondContact O-N 3Å; Q261-K264 CarbonylContact O-C 3.59Å; Q261-K264 WeakPolarHBondContact O-CA 3.35Å; Q261-K264 PolarHBondContact O-N 3.33Å; Q261-K264 VanDerWaalsContact O-N 3.09Å; Q262-K264 VanDerWaalsContact C-N 3.33Å; K264-F267 WeakPolarHBondContact O-CB 3.48Å; K264-F267 PolarHBondContact O-N 2.73Å; K264-I268 PolarHBondContact O-N 3.18Å |
| 265 | L | 56.5 | Low | 63.5 | Low | 73 Ų | 73 | 109.8 Ų | 109.8 | 38% | 0.382 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -78.3 | -30.9 | 177.6 | -135.4 | 115.8 | 0 | 0 | 0 | 111.3 | Q261 Q262 F267 I268 L269 | Q261-L265 VanDerWaalsContact O-CB 3.32Å; Q261-L265 WeakPolarHBondContact O-CB 3.25Å; Q261-L265 PolarHBondContact O-N 3.17Å; Q262-L265 CarbonylContact O-C 3.56Å; Q262-L265 PolarHBondContact O-N 3.42Å; L265-F267 PolarHBondContact O-N 3.17Å; L265-I268 PolarHBondContact O-N 3.08Å; L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.56Å |
| 266 | M | 55.4 | Low | 61.6 | Low | 121 Ų | 121 | 110.5 Ų | 110.5 | 60% | 0.596 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.4 | -31.9 | 169.8 | -176.3 | 167 | 68.3 | 0 | 0 | 110.8 | Q262 L270 | Q262-M266 VanDerWaalsContact O-CB 3.23Å; Q262-M266 WeakPolarHBondContact O-CB 3.05Å; Q262-M266 PolarHBondContact O-N 3.22Å; M266-L270 PolarHBondContact O-N 3.04Å |
| 267 | F | 55.7 | Low | 59.7 | Low | 169 Ų | 169 | 114.9 Ų | 114.9 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.5 | -20.2 | 174.3 | -152.4 | -92.5 | 0 | 0 | 0 | 113.9 | E263 K264 L265 | E263-F267 PolarHBondContact O-N 2.74Å; K264-F267 WeakPolarHBondContact O-CB 3.48Å; K264-F267 PolarHBondContact O-N 2.73Å; L265-F267 PolarHBondContact O-N 3.17Å |
| 268 | I | 59 | Low | 58.1 | Low | 138 Ų | 138 | 117.5 Ų | 117.5 | 71% | 0.708 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -98.3 | -33.1 | -178.6 | -73.8 | 169.2 | 0 | 0 | 0 | 112.1 | K264 L265 | K264-I268 PolarHBondContact O-N 3.18Å; L265-I268 PolarHBondContact O-N 3.08Å |
| 269 | L | 55.5 | Low | 56.4 | Low | 130 Ų | 130 | 124.9 Ų | 124.9 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -97.1 | -17.9 | -172.5 | -129.4 | 140.1 | 0 | 0 | 0 | 113.7 | L265 | L265-L269 HydrophobicContact CD2-CD1 3.55Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 PolarHBondContact O-N 2.56Å |
| 270 | L | 55 | Low | 55 | Low | 112 Ų | 112 | 123.1 Ų | 123.1 | 59% | 0.586 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -118.5 | 107.8 | 165.7 | -76 | 152.1 | 0 | 0 | 0 | 107.8 | M266 | M266-L270 PolarHBondContact O-N 3.04Š|
| 271 | P | 45.6 | Very low | 54.2 | Low | 100 Ų | 100 | 124.4 Ų | 124.4 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | trans | -55.6 | 147.7 | 165.3 | 25.5 | -32.7 | 0 | 0 | 0 | 108.2 | V273 | P271-V273 PolarHBondContact O-N 3.02Š| ||
| 272 | P | 52 | Low | 53.5 | Low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -54.6 | 108.7 | 174.9 | 22.6 | -31.9 | 0 | 0 | 0 | 108.1 | P274 | P272-P274 VanDerWaalsContact O-CD 3.31Å; P272-P274 WeakPolarHBondContact O-CD 3.09Å; P272-P274 VanDerWaalsContact O-N 3.12Å | ||
| 273 | V | 49 | Very low | 53.4 | Low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.7 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | P271 G275 | P271-V273 PolarHBondContact O-N 3.02Å; V273-G275 PolarHBondContact O-N 2.88Å |
| 274 | P | 45.5 | Very low | 53.3 | Low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117 | 176.4 | -20.7 | 30.8 | 0 | 0 | 0 | 107.8 | P272 | P272-P274 VanDerWaalsContact O-CD 3.31Å; P272-P274 WeakPolarHBondContact O-CD 3.09Å; P272-P274 VanDerWaalsContact O-N 3.12Å |
| 275 | G | 47.2 | Very low | 53.1 | Low | 57 Ų | 57 | 120.7 Ų | 120.7 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 137.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V273 K277 | V273-G275 PolarHBondContact O-N 2.88Å; G275-K277 PolarHBondContact O-N 2.94Å |
| 276 | P | 47.6 | Very low | 53.1 | Low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | trans | -60.5 | 112.6 | 176.5 | 24 | -31 | 0 | 0 | 0 | 107.9 | I278 | P276-I278 HydrophobicContact CB-CG1 4.06Å; P276-I278 HydrophobicContact CG-CG1 4.42Å; P276-I278 PolarHBondContact O-N 3.36Å | ||
| 277 | K | 48.8 | Very low | 53.1 | Low | 207 Ų | 207 | 125.6 Ų | 125.6 | 90% | 0.9 | 68% | 0.683 | S | S | * | * | trans | -70.3 | 73.1 | 166.4 | -79.1 | -179.4 | 176.6 | 172.6 | 0 | 108.1 | G275 R279 | G275-K277 PolarHBondContact O-N 2.94Å; K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 2.89Å | ||
| 278 | I | 52.7 | Low | 53.2 | Low | 128 Ų | 128 | 126.4 Ų | 126.4 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | trans | -73 | 95.6 | 163.9 | -19.4 | 175.3 | 0 | 0 | 0 | 105.6 | P276 G280 | P276-I278 HydrophobicContact CB-CG1 4.06Å; P276-I278 HydrophobicContact CG-CG1 4.42Å; P276-I278 PolarHBondContact O-N 3.36Å; I278-G280 PolarHBondContact O-N 3.48Å; I278-G280 VanDerWaalsContact O-N 3.09Å | ||
| 279 | R | 49.6 | Very low | 53.1 | Low | 250 Ų | 250 | 123 Ų | 123 | 94% | 0.943 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 109.1 | 165.4 | -94.2 | -178.5 | 166.6 | 172.9 | -3.9 | 107 | K277 | K277-R279 VanDerWaalsContact C-N 3.31Å; K277-R279 PolarHBondContact O-N 2.89Å |
| 280 | G | 51 | Low | 53.2 | Low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.5 | -21.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117 | I278 | I278-G280 PolarHBondContact O-N 3.48Å; I278-G280 VanDerWaalsContact O-N 3.09Å |
| 281 | I | 59.7 | Low | 53.3 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | -124 | 117.6 | 179.3 | -67.2 | 96.2 | 0 | 0 | 0 | 110 | P283 L286 | I281-P283 WeakPolarHBondContact O-CD 3.27Å; I281-L286 HydrophobicContact CG2-CD1 3.9Å; I281-L286 HydrophobicContact CG2-CG 4.45Å | ||
| 282 | D | 55.9 | Low | 53.7 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | trans | -71 | 118.1 | -178.9 | -156.3 | -13.3 | 0 | 0 | 0 | 110 | N284 L285 | D282-N284 PolarHBondContact O-N 3.33Å; D282-L285 HydrophobicContact CB-CD1 4.37Å; D282-L285 PolarHBondContact O-N 3.39Å | ||
| 283 | P | 59.4 | Low | 53.8 | Low | 90 Ų | 90 | 128.2 Ų | 128.2 | 58% | 0.584 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.4 | -13.3 | -173.4 | 23.5 | -33.5 | 0 | 0 | 0 | 113.9 | I281 L285 | I281-P283 WeakPolarHBondContact O-CD 3.27Å; P283-L285 VanDerWaalsContact C-N 3.34Å |
| 284 | N | 58.3 | Low | 54 | Low | 119 Ų | 119 | 126.2 Ų | 126.2 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.4 | -17 | 175 | -67.5 | -45.8 | 0 | 0 | 0 | 113.8 | D282 | D282-N284 PolarHBondContact O-N 3.33Å |
| 285 | L | 55.3 | Low | 54.4 | Low | 123 Ų | 123 | 125.6 Ų | 125.6 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.6 | -29.9 | 176.9 | -71.1 | 172.8 | 0 | 0 | 0 | 112.9 | D282 P283 | D282-L285 HydrophobicContact CB-CD1 4.37Å; D282-L285 PolarHBondContact O-N 3.39Å; P283-L285 VanDerWaalsContact C-N 3.34Å |
| 286 | L | 56.5 | Low | 54.5 | Low | 104 Ų | 104 | 127.2 Ų | 127.2 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.6 | -32 | 174.3 | -79.3 | 161 | 0 | 0 | 0 | 112.3 | I281 K288 L294 | I281-L286 HydrophobicContact CG2-CD1 3.9Å; I281-L286 HydrophobicContact CG2-CG 4.45Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.15Å; L286-L294 HydrophobicContact CD2-CD1 4.16Å |
| 287 | K | 56.4 | Low | 54.8 | Low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -9.2 | 179.4 | -135.2 | 176.8 | -175.3 | -179.3 | 0 | 114.1 | ||
| 288 | K | 56.3 | Low | 54.8 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 14.1 | -176.4 | -110.9 | -179.5 | -179.3 | 179.8 | 0 | 115.2 | L286 | L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.15Å |
| 289 | G | 58.8 | Low | 54.3 | Low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.8 | 48.8 | 163 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 290 | K | 56.4 | Low | 53.7 | Low | 125 Ų | 125 | 116.2 Ų | 116.2 | 54% | 0.543 | 64% | 0.639 | S | S | . | * | trans | -125.6 | 64.7 | 173.9 | -144.9 | 176.8 | -173.5 | -174.4 | 0 | 110.7 | R292 | K290-R292 VanDerWaalsContact CE-NH2 3.32Å; K290-R292 HydrophobicContact CG-CG 4.47Å; K290-R292 PolarHBondContact O-N 2.86Å | ||
| 291 | L | 56.7 | Low | 53.1 | Low | 124 Ų | 124 | 118.8 Ų | 118.8 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -72.4 | -1.4 | -175.7 | -82 | 158.1 | 0 | 0 | 0 | 115.3 | E293 L294 | L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.77Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å |
| 292 | R | 54.3 | Low | 52.3 | Low | 184 Ų | 184 | 120.3 Ų | 120.3 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78.8 | -2.2 | -174.1 | 68 | -174 | -175.5 | -159.9 | 5.9 | 115.8 | K290 | K290-R292 VanDerWaalsContact CE-NH2 3.32Å; K290-R292 HydrophobicContact CG-CG 4.47Å; K290-R292 PolarHBondContact O-N 2.86Å |
| 293 | E | 55 | Low | 51.4 | Low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -109.2 | -1.8 | 177.7 | -82.4 | 171.4 | -171.2 | 0 | 0 | 113.4 | L291 S296 | L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.77Å; E293-S296 PolarHBondContact O-OG 3.24Å |
| 294 | L | 53.8 | Low | 50.3 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 39% | 0.387 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -92.3 | -14 | 174.7 | -70.1 | 175.4 | 0 | 0 | 0 | 113.3 | L286 L291 S296 | L286-L294 HydrophobicContact CD2-CD1 4.16Å; L291-L294 HydrophobicContact CD2-CD1 4.24Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 2.88Å |
| 295 | T | 52.1 | Low | 49.4 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -12.5 | 174.7 | 31.9 | 0 | 0 | 0 | 0 | 113.8 | T299 | T295-T299 PolarHBondContact O-OG1 2.83Š|
| 296 | S | 50.7 | Low | 48.4 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -3.9 | 179 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | E293 L294 | E293-S296 PolarHBondContact O-OG 3.24Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 2.88Å |
| 297 | I | 52.9 | Low | 47.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -110.3 | -15.6 | -177.9 | -56 | 177.9 | 0 | 0 | 0 | 112.7 | ||
| 298 | L | 50 | Low | 46.4 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -94.7 | 4.6 | 174.7 | -87.1 | 101.4 | 0 | 0 | 0 | 114.8 | G300 | L298-G300 PolarHBondContact O-N 2.91Š|
| 299 | T | 41 | Very low | 45.5 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -91.8 | 102.7 | 174.6 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | T295 | T295-T299 PolarHBondContact O-OG1 2.83Š| ||
| 300 | G | 38 | Very low | 44.4 | Very low | 53 Ų | 53 | 132.8 Ų | 132.8 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | trans | -58.5 | 161.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L298 | L298-G300 PolarHBondContact O-N 2.91Š| ||
| 301 | P | 38.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -65.3 | 149.8 | -165.4 | -9.5 | 23.1 | 0 | 0 | 0 | 112.4 | D303 | P301-D303 PolarHBondContact O-N 2.83Š| ||
| 302 | P | 42.7 | Very low | 42.7 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -81.6 | 113.6 | 179.5 | 33.1 | -27.6 | 0 | 0 | 0 | 108.6 | ||||
| 303 | D | 35.5 | Very low | 42.4 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | trans | -144.4 | 133.4 | 153.1 | -145.3 | -3.2 | 0 | 0 | 0 | 111.6 | P301 | P301-D303 PolarHBondContact O-N 2.83Š| ||
| 304 | L | 37.4 | Very low | 41.6 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 80.8 | 90.5 | 176 | -52.5 | 174.6 | 0 | 0 | 0 | 118.1 | ||||
| 305 | R | 38.6 | Very low | 41 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -45.1 | 145.6 | 148.4 | -81.3 | -179.1 | 166.8 | 172.1 | 3.9 | 111.5 | E307 | R305-E307 IonicContact CZ-OE1 3.84Å; R305-E307 IonicContact NE-OE1 2.93Å; R305-E307 IonicContact NH1-OE1 3.47Å; R305-E307 PolarHBondContact NH1-OE1 3.43Å | ||
| 306 | P | 35.4 | Very low | 40.7 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | -117.2 | 115.7 | 121.9 | -7.6 | 26.9 | 0 | 0 | 0 | 112.1 | |||||
| 307 | E | 33.4 | Very low | 40.2 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | trans | -60.1 | 143 | 153.9 | -86.3 | 170.5 | -170.9 | 0 | 0 | 111.6 | R305 | R305-E307 IonicContact CZ-OE1 3.84Å; R305-E307 IonicContact NE-OE1 2.93Å; R305-E307 IonicContact NH1-OE1 3.47Å; R305-E307 PolarHBondContact NH1-OE1 3.43Å | ||
| 308 | L | 36.8 | Very low | 40 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | 137.7 | 132.3 | 123.9 | -84.6 | 138.9 | 0 | 0 | 0 | 115.8 | |||||
| 309 | Y | 37.8 | Very low | 39.4 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 82% | 0.82 | 75% | 0.751 | S | S | * | * | trans | 83.2 | 95.1 | 174.2 | -92.2 | -95 | 0 | 0 | 0 | 116.9 | ||||
| 310 | N | 34.4 | Very low | 39.7 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | 72.5 | 118.4 | 63.4 | -90.3 | -40.3 | 0 | 0 | 0 | 116.8 | |||||
| 311 | N | 38.8 | Very low | 39.6 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 78.2 | 102.1 | 153.9 | -57.6 | -41 | 0 | 0 | 0 | 119.8 | ||||
| 312 | D | 39.2 | Very low | 39.8 | Very low | 149 Ų | 149 | 154 Ų | 154 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | 48.6 | 165.3 | 109.6 | -137.5 | 26.1 | 0 | 0 | 0 | 119 | |||||
| 313 | P | 48.6 | Very low | 39.9 | Very low | 80 Ų | 80 | 156.8 Ų | 156.8 | 52% | 0.519 | 78% | 0.778 | S | S | . | * | cis | -126.1 | -167 | -24 | 14.8 | 11.2 | 0 | 0 | 0 | 111.5 | ||||
| 314 | W | 38.4 | Very low | 40.4 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 96.7 | 98 | 169.2 | -50.9 | 97.5 | 0 | 0 | 0 | 115.1 | ||||
| 315 | V | 39.7 | Very low | 40.2 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | 74.8 | 121.8 | 69.4 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 316 | E | 45.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 153.1 Ų | 153.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -177.4 | 137 | 96.1 | -145.6 | 151.5 | -141.4 | 0 | 0 | 112.4 | |||||
| 317 | F | 41.3 | Very low | 39.9 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -82.8 | 145.6 | 167.9 | -67.3 | -101.4 | 0 | 0 | 0 | 107.8 | ||||
| 318 | I | 48.1 | Very low | 40.1 | Very low | 168 Ų | 168 | 157.5 Ų | 157.5 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -116.1 | 103.9 | 165 | -62.3 | 174.5 | 0 | 0 | 0 | 107.6 | ||||
| 319 | D | 38.5 | Very low | 39.9 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -73.2 | 150.5 | 161 | -76.2 | -45 | 0 | 0 | 0 | 110.1 | ||||
| 320 | L | 47 | Very low | 39.9 | Very low | 173 Ų | 173 | 155 Ų | 155 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 135.9 | 169.3 | -72 | 159.5 | 0 | 0 | 0 | 109.1 | ||||
| 321 | D | 35.6 | Very low | 39.8 | Very low | 169 Ų | 169 | 155 Ų | 155 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -143.9 | 145.7 | 156.8 | -122.3 | -12.8 | 0 | 0 | 0 | 112.7 | ||||
| 322 | I | 43.5 | Very low | 39.6 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 150.1 | -174.3 | -72.9 | 160.6 | 0 | 0 | 0 | 109.3 | ||||
| 323 | E | 43.4 | Very low | 39.3 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 142 | 145.4 | 130.6 | -128.1 | 169.1 | -137.2 | 0 | 0 | 115.8 | ||||
| 324 | E | 47.1 | Very low | 38.5 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 141.6 | -166.4 | 177.1 | 178.2 | -161.1 | 0 | 0 | 112.4 | ||||
| 325 | S | 33.8 | Very low | 38.4 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 168.1 | 132.4 | 139 | 46.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 326 | N | 31.4 | Very low | 38.1 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 74.8 | 109.9 | 143.7 | -76.7 | -2.6 | 0 | 0 | 0 | 124 | ||||
| 327 | D | 36.3 | Very low | 37.4 | Very low | 139 Ų | 139 | 150.6 Ų | 150.6 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | 55.5 | 107.3 | 115.5 | -60.8 | -14.3 | 0 | 0 | 0 | 121.4 | |||||
| 328 | K | 37 | Very low | 37.2 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | 173.5 | 117.8 | 109 | -104.4 | 173.9 | 173.9 | 173.5 | 0 | 113.6 | |||||
| 329 | L | 32.1 | Very low | 36.2 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | 36.3 | 135.4 | 127.3 | -150 | 94.6 | 0 | 0 | 0 | 121.7 | |||||
| 330 | L | 38 | Very low | 35.8 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 102.5 | 139 | 158.3 | -61.8 | 161.9 | 0 | 0 | 0 | 114.7 | ||||
| 331 | D | 32.5 | Very low | 35.2 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -174.1 | 153.8 | -19.3 | -168.7 | 15.9 | 0 | 0 | 0 | 105.5 | ||||
| 332 | M | 34.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 54.5 | 110 | 161.3 | -75.5 | -176.2 | 76.6 | 0 | 0 | 123.8 | ||||
| 333 | N | 33.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 75.8 | 116.8 | 105.8 | -149.2 | 19 | 0 | 0 | 0 | 121.7 | |||||
| 334 | T | 31.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | 153.1 | 125.5 | 106 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 335 | G | 36.1 | Very low | 34.9 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -92.5 | 173 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 336 | C | 33.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -148.4 | 109 | 162.4 | -79.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 337 | L | 32.2 | Very low | 34.9 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | 76.6 | 124.3 | 91.7 | -103.9 | 171 | 0 | 0 | 0 | 114.1 | |||||
| 338 | M | 35.7 | Very low | 34.8 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 159.6 | -164.5 | -72.9 | -161.5 | 158.4 | 0 | 0 | 115 | ||||
| 339 | D | 26.8 | Very low | 34.6 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -147.8 | 143.4 | 142 | -121.9 | 154.3 | 0 | 0 | 0 | 118.4 | ||||
| 340 | H | 30.3 | Very low | 34.6 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 68 | 128.1 | 147.9 | -61.6 | -43.1 | 0 | 0 | 0 | 126.4 | ||||
| 341 | S | 35.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -64.9 | -167.8 | 153.4 | -34.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 342 | P | 46.2 | Very low | 34.8 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | cis | -147.2 | 150.2 | 46.5 | 32.7 | -6.5 | 0 | 0 | 0 | 117.5 | ||||
| 343 | M | 31.9 | Very low | 35 | Very low | 167 Ų | 167 | 138.7 Ų | 138.7 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | 71.9 | 129.1 | 101.1 | -160.8 | 73 | -164.9 | 0 | 0 | 118.9 | P345 | M343-P345 HydrophobicContact CE-CB 4.09Š| |||
| 344 | S | 32.8 | Very low | 35.4 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -144.6 | 145.6 | 155.4 | -152.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | P | 52.1 | Low | 36.3 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | trans | -124.9 | 174.2 | -165.4 | 40.3 | -25.1 | 0 | 0 | 0 | 117.4 | M343 | M343-P345 HydrophobicContact CE-CB 4.09Š| ||
| 346 | R | 32.6 | Very low | 36.5 | Very low | 231 Ų | 231 | 138.9 Ų | 138.9 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 90.7 | 130.6 | 159.4 | -59.7 | -178.3 | 167.7 | -172.5 | -4.5 | 117.4 | ||||
| 347 | S | 31.9 | Very low | 36.8 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | 120.6 | 115.3 | 3.2 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 348 | A | 34.1 | Very low | 36.9 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 66.8 | 148.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 349 | V | 33.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | cis | 177.8 | 151.2 | 4.4 | 134.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 350 | F | 31.4 | Very low | 37.7 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 88.3 | 125.2 | 154.1 | -97.3 | -134 | 0 | 0 | 0 | 126.2 | ||||
| 351 | R | 37.1 | Very low | 37.9 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | 81.9 | 139.7 | 123.9 | -95.4 | -167.3 | -169.8 | -157.7 | 0.1 | 125.2 | |||||
| 352 | D | 37.7 | Very low | 38 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -48 | 148.6 | 172.4 | -65 | -48.3 | 0 | 0 | 0 | 118.2 | ||||
| 353 | N | 39.8 | Very low | 38.4 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | 165.6 | 130.3 | 112.4 | -96.2 | -65.1 | 0 | 0 | 0 | 113.8 | |||||
| 354 | D | 41 | Very low | 38.4 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | 65.9 | 131.2 | 123.4 | -132.4 | -6.9 | 0 | 0 | 0 | 124.6 | |||||
| 355 | S | 49.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 130.1 | 140.6 | -81.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 356 | G | 40.6 | Very low | 37.9 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 160.7 | 77.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 357 | R | 39.4 | Very low | 37.9 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | 57.4 | 137.2 | 92.3 | -100.4 | -173.5 | 157.2 | -158.4 | -5.9 | 117.2 | |||||
| 358 | S | 34.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 91.2 | 133.5 | 173.6 | 84.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 359 | S | 41.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | cis | -169.2 | 135 | 16 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 360 | C | 38.6 | Very low | 37.6 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 37.9 | 138.6 | 137.3 | -57 | 0 | 0 | 0 | 0 | 121 | ||||
| 361 | C | 35.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | cis | -164.7 | 139.2 | 1.9 | -88.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 362 | E | 37.1 | Very low | 37.2 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -68.5 | -174.5 | 151.7 | -147.1 | 108.3 | -175.2 | 0 | 0 | 109.1 | ||||
| 363 | P | 54.6 | Low | 37.4 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 80% | 0.803 | S | S | * | * | cis | -130.8 | 176.7 | -21.1 | 16.6 | 9.8 | 0 | 0 | 0 | 112.5 | ||||
| 364 | D | 32.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | 166.6 | 120.9 | 114.1 | -85.4 | -26.4 | 0 | 0 | 0 | 112.5 | |||||
| 365 | L | 42.1 | Very low | 36.5 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -85.4 | 129.5 | 155.6 | -70.3 | 167.8 | 0 | 0 | 0 | 107.8 | ||||
| 366 | L | 31.3 | Very low | 35.6 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -154.8 | 146.5 | 143.8 | -85.5 | -169.5 | 0 | 0 | 0 | 112.1 | ||||
| 367 | S | 32.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 160.4 | -171.1 | -55.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 368 | E | 31.2 | Very low | 34.4 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | 177.8 | 119.2 | 124 | -97.8 | -176.2 | 147.1 | 0 | 0 | 109 | |||||
| 369 | A | 32.6 | Very low | 34.1 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | 86.4 | 112.2 | 71.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 370 | S | 29.3 | Very low | 33.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | 161.8 | 136.7 | 144.8 | 46.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 371 | A | 29.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | cis | -155.8 | 156.9 | 8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 372 | S | 30.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 175.5 | 170.4 | -109.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 373 | P | 41.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | cis | -136.9 | 143.2 | 43.9 | 32.1 | -9.4 | 0 | 0 | 0 | 116.6 | ||||
| 374 | V | 30.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 63% | 0.63 | 81% | 0.807 | S | S | * | * | 66.4 | 114.3 | 83.3 | -176 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 375 | H | 31.4 | Very low | 31.2 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | -146.9 | 144.5 | 127.8 | -107.2 | -67.3 | 0 | 0 | 0 | 111.4 | |||||
| 376 | Q | 31 | Very low | 30.4 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -79.1 | 157.5 | -169.6 | -66.3 | 155.5 | -66.9 | 0 | 0 | 114 | ||||
| 377 | E | 25 | Very low | 30.2 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | -167.9 | 144.8 | 115.7 | -110.6 | 178.9 | 164.7 | 0 | 0 | 112.3 | |||||
| 378 | A | 30 | Very low | 29.9 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -129.9 | 132 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 379 | S | 28.4 | Very low | 29.6 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 54.4 | 126.3 | 137.9 | 50.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 380 | A | 29.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 99 | 131.1 | 130 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 381 | S | 28.9 | Very low | 29.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -53 | 170.8 | 171.8 | -43.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 382 | P | 39.7 | Very low | 29.4 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -163.1 | -175.3 | 54.8 | 39.7 | -12.5 | 0 | 0 | 0 | 120.2 | |||||
| 383 | V | 25.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 84.8 | 134.4 | 150.5 | -166.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 384 | H | 29 | Very low | 28.6 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -47.2 | 150.1 | 166.2 | -69.3 | -87.5 | 0 | 0 | 0 | 118.5 | ||||
| 385 | Q | 26.6 | Very low | 28.2 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | -172 | 156.1 | 121.2 | -115.3 | 166.1 | -20.6 | 0 | 0 | 114.3 | |||||
| 386 | E | 25.1 | Very low | 27.9 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -63.8 | 155.3 | -172 | -64.6 | 156.8 | 114 | 0 | 0 | 116.5 | ||||
| 387 | A | 26.6 | Very low | 27.6 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | 164.4 | 127.8 | 113.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 388 | S | 24.8 | Very low | 27.6 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 44.6 | 119 | 130.5 | -52.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 389 | A | 26.2 | Very low | 27.3 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 152.3 | 125.9 | 107 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 390 | S | 26.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -69.9 | 167.9 | 155.1 | -48.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 391 | P | 35.5 | Very low | 27 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -140.6 | -173.6 | 96.4 | 34.5 | -17.1 | 0 | 0 | 0 | 114.3 | |||||
| 392 | V | 24.8 | Very low | 26.9 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | trans | -129.4 | 155.8 | -152.1 | 150.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 393 | H | 28.4 | Very low | 26.1 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | 69.1 | 152.1 | 160.5 | -69.8 | -29.7 | 0 | 0 | 0 | 119 | ||||
| 394 | Q | 26 | Very low | 26 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | cis | -170.8 | 157.6 | 6.7 | -120 | 165.7 | -54.7 | 0 | 0 | 110.1 | ||||
| 395 | E | 23.6 | Very low | 25.7 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 33.9 | 148.7 | 140.7 | -73.9 | 171.2 | 134.5 | 0 | 0 | 122 | ||||
| 396 | A | 25 | Very low | 25.5 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | -170.4 | 162.9 | 5.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 397 | S | 23.6 | Very low | 25.4 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 57.1 | 117.9 | 145 | -60.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 398 | A | 25.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 168 | 133.8 | 109.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 399 | S | 24.6 | Very low | 25.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 171.8 | -179.9 | -49.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 400 | P | 28 | Very low | 25.2 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -137.8 | 134.4 | 93.1 | 19.7 | 2.4 | 0 | 0 | 0 | 113.6 | |||||
| 401 | V | 23.2 | Very low | 25 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | 84.8 | 109.5 | 91.4 | 166.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 402 | H | 26 | Very low | 24.4 | Very low | 152 Ų | 152 | 134 Ų | 134 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | 46.6 | 125 | 145.2 | -63.5 | -65.6 | 0 | 0 | 0 | 123.8 | ||||
| 403 | Q | 24.2 | Very low | 24.3 | Very low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | -157.5 | 137.4 | 103.8 | -108.9 | 170.7 | -18.9 | 0 | 0 | 112.5 | |||||
| 404 | E | 22.9 | Very low | 24.2 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -82.6 | 158.6 | -172 | -61.5 | 168.1 | 141.1 | 0 | 0 | 113.5 | ||||
| 405 | A | 22.7 | Very low | 24.1 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | -170.2 | 124.1 | 119.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 406 | S | 22.8 | Very low | 24.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -71.7 | 154.6 | 173.9 | 50.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 407 | T | 22.6 | Very low | 24 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -147.8 | 128.1 | 145 | -26.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 408 | A | 24.6 | Very low | 24.2 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 158 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 409 | E | 24.7 | Very low | 24.2 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 148 | 171.7 | -61.7 | 175.9 | 130.6 | 0 | 0 | 112.7 | ||||
| 410 | Q | 23.8 | Very low | 24.7 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -158.6 | 136.6 | 132.2 | -113.9 | 165.7 | 29.8 | 0 | 0 | 114.2 | ||||
| 411 | S | 21.8 | Very low | 24.7 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -52.7 | 144.5 | 175 | 178.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 412 | S | 23.9 | Very low | 24.9 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -145.4 | 126.6 | 149.2 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 413 | V | 22.7 | Very low | 25 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 75% | 0.745 | 82% | 0.821 | S | S | * | * | trans | -68.4 | 133.9 | 174.1 | 170 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 414 | F | 25.2 | Very low | 25.4 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -115.9 | 121.4 | 165.7 | -88.8 | -86.6 | 0 | 0 | 0 | 111.2 | ||||
| 415 | V | 23.8 | Very low | 25.8 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | trans | -74.7 | 139 | 170.9 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | V417 | V415-V417 PolarHBondContact O-N 2.95Š| ||
| 416 | A | 23.6 | Very low | 26.6 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -61.8 | 126.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 417 | V | 24.6 | Very low | 27.2 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -115.9 | 114.5 | 159.6 | 174.8 | 0 | 0 | 0 | 0 | 107.1 | V415 G419 | V415-V417 PolarHBondContact O-N 2.95Å; V417-G419 PolarHBondContact O-N 3.44Å | ||
| 418 | E | 28.1 | Very low | 27.7 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 109.6 | 173.9 | -163.4 | 168.8 | -171.6 | 0 | 0 | 108.6 | ||||
| 419 | G | 25.3 | Very low | 29 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 105 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V417 E421 | V417-G419 PolarHBondContact O-N 3.44Å; G419-E421 PolarHBondContact O-N 3.29Å; G419-E421 VanDerWaalsContact O-N 3.09Å | ||
| 420 | R | 33.9 | Very low | 30 | Very low | 258 Ų | 258 | 138.2 Ų | 138.2 | 97% | 0.974 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 92.3 | -178.5 | -160.9 | -174 | -152.4 | -176 | 6.8 | 109.7 | ||||
| 421 | E | 28.4 | Very low | 30.7 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -99.3 | 107.5 | 170.1 | -107.5 | -179.2 | 164.4 | 0 | 0 | 110.7 | G419 A423 | G419-E421 PolarHBondContact O-N 3.29Å; G419-E421 VanDerWaalsContact O-N 3.09Å; E421-A423 PolarHBondContact O-N 2.77Å | ||
| 422 | A | 27.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -74.5 | 101.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A424 | A422-A424 PolarHBondContact O-N 3.42Å; A422-A424 VanDerWaalsContact O-N 3.07Å | ||
| 423 | A | 29 | Very low | 32.5 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 105 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E421 Y425 | E421-A423 PolarHBondContact O-N 2.77Å; A423-Y425 WeakPolarHBondContact O-CD1 3.38Å; A423-Y425 PolarHBondContact O-N 2.85Å | ||
| 424 | A | 31 | Very low | 33.8 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -68.2 | 114.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A422 | A422-A424 PolarHBondContact O-N 3.42Å; A422-A424 VanDerWaalsContact O-N 3.07Å | ||
| 425 | Y | 31.8 | Very low | 34.8 | Very low | 217 Ų | 217 | 131.5 Ų | 131.5 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -77.3 | 119.4 | 171.8 | 13.3 | -92.6 | 0 | 0 | 0 | 109.6 | A423 Q427 | A423-Y425 WeakPolarHBondContact O-CD1 3.38Å; A423-Y425 PolarHBondContact O-N 2.85Å; Y425-Q427 PolarHBondContact O-N 3.4Å | ||
| 426 | T | 39.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -79 | 110.4 | 171.2 | -42.3 | 0 | 0 | 0 | 0 | 108.8 | L439 | T426-L439 HydrophobicContact CG2-CD2 4.43Š| ||
| 427 | Q | 35.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -72.1 | 133.3 | 169.2 | -89 | -178.6 | 3.4 | 0 | 0 | 110 | Y425 | Y425-Q427 PolarHBondContact O-N 3.4Š| ||
| 428 | V | 33.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | trans | -86 | 123 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | V437 | V428-V437 HydrophobicContact CG1-CG1 4.14Š| ||
| 429 | G | 52.5 | Low | 36.6 | Very low | 45 Ų | 45 | 126 Ų | 126 | 46% | 0.464 | 73% | 0.726 | S | S | . | * | trans | -76.7 | -169.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 430 | E | 44.7 | Very low | 37.2 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -55.2 | 135.6 | -175.9 | -169.2 | -177 | 179.2 | 0 | 0 | 113.7 | ||||
| 431 | V | 38.1 | Very low | 37.1 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | B | Isolated β-bridge | trans | -95.7 | 114.9 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 432 | R | 43 | Very low | 37 | Very low | 173 Ų | 173 | 125 Ų | 125 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | trans | -78.1 | 148.9 | 170.8 | -67.9 | -174.8 | 175.9 | -177.5 | 0.2 | 109.9 | S434 G435 | R432-S434 PolarHBondContact O-N 3.35Å; R432-G435 PolarHBondContact O-N 3.15Å | ||
| 433 | S | 42 | Very low | 37 | Very low | 143 Ų | 143 | 125 Ų | 125 | 100% | 1 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 5.9 | -178.7 | 27.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 434 | S | 48.6 | Very low | 37.1 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 4.6 | 171.4 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | R432 S436 | R432-S434 PolarHBondContact O-N 3.35Å; S434-S436 PolarHBondContact O-N 2.83Å |
| 435 | G | 45.9 | Very low | 36.9 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 76.6 | 12.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R432 | R432-G435 PolarHBondContact O-N 3.15Š|
| 436 | S | 36.8 | Very low | 36.7 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 50% | 0.503 | 72% | 0.715 | S | S | . | * | P | Polyproline II helix | trans | -99.8 | 134.5 | 172.7 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | S434 | S434-S436 PolarHBondContact O-N 2.83Š|
| 437 | V | 34.7 | Very low | 36.1 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 47% | 0.473 | 72% | 0.717 | S | S | . | * | B | Isolated β-bridge | trans | -103 | 124.7 | 178.3 | -178 | 0 | 0 | 0 | 0 | 108.9 | V428 L439 | V428-V437 HydrophobicContact CG1-CG1 4.14Å; V437-L439 HydrophobicContact CG1-CD1 4.46Å |
| 438 | L | 33.7 | Very low | 35.7 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 121.5 | 173.8 | -153.8 | 95.9 | 0 | 0 | 0 | 109 | ||
| 439 | L | 34.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 71% | 0.707 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 126.5 | 175.2 | -74.5 | 88.9 | 0 | 0 | 0 | 110.1 | T426 V437 | T426-L439 HydrophobicContact CG2-CD2 4.43Å; V437-L439 HydrophobicContact CG1-CD1 4.46Å |
| 440 | E | 36.2 | Very low | 34.4 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 125.2 | 171.9 | -169.4 | 169.9 | -168.7 | 0 | 0 | 109.9 | ||
| 441 | K | 31.5 | Very low | 33.6 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | -93.8 | 99.7 | 177.7 | -171.8 | 176.5 | -178 | 173.9 | 0 | 109.3 | T443 | K441-T443 PolarHBondContact O-N 2.98Å; K441-T443 VanDerWaalsContact O-N 3.09Å | ||
| 442 | T | 27.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -68.4 | 105.5 | 163.4 | 39.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 443 | T | 27 | Very low | 32.3 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -90.4 | 105.3 | 169.2 | -43.2 | 0 | 0 | 0 | 0 | 106.6 | K441 K445 | K441-T443 PolarHBondContact O-N 2.98Å; K441-T443 VanDerWaalsContact O-N 3.09Å; T443-K445 PolarHBondContact O-N 3.21Å | ||
| 444 | I | 30.8 | Very low | 31.5 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -65.6 | 106 | 165.4 | -61 | 174.2 | 0 | 0 | 0 | 105.9 | E446 | I444-E446 PolarHBondContact O-N 3.24Š| ||
| 445 | K | 27.6 | Very low | 30.5 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -80 | 107 | 163.7 | -79.8 | -176.6 | 175.3 | -179.6 | 0 | 107 | T443 T447 | T443-K445 PolarHBondContact O-N 3.21Å; K445-T447 PolarHBondContact O-N 2.96Å; K445-T447 VanDerWaalsContact O-N 3.12Å | ||
| 446 | E | 27.7 | Very low | 29.6 | Very low | 177 Ų | 177 | 155.5 Ų | 155.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -60.1 | 111.8 | 157.4 | -73.5 | -178.3 | 163.5 | 0 | 0 | 107.4 | I444 | I444-E446 PolarHBondContact O-N 3.24Š| ||
| 447 | T | 26.2 | Very low | 29 | Very low | 121 Ų | 121 | 159.5 Ų | 159.5 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -93.7 | 101.8 | 169 | 35.3 | 0 | 0 | 0 | 0 | 106.6 | K445 M449 | K445-T447 PolarHBondContact O-N 2.96Å; K445-T447 VanDerWaalsContact O-N 3.12Å; T447-M449 PolarHBondContact O-N 3.35Å | ||
| 448 | N | 28.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -65 | 112.7 | 159.5 | -78.2 | -26.1 | 0 | 0 | 0 | 107.4 | ||||
| 449 | M | 27.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 162.2 Ų | 162.2 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -96.7 | 111.1 | 156.6 | -82.9 | -168.9 | 169.2 | 0 | 0 | 107.7 | T447 | T447-M449 PolarHBondContact O-N 3.35Š| ||
| 450 | E | 30.7 | Very low | 27.8 | Very low | 198 Ų | 198 | 162.9 Ų | 162.9 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -61 | 127.9 | 155.8 | -69.3 | 173.8 | 145.8 | 0 | 0 | 108.2 | ||||
| 451 | E | 27 | Very low | 27.3 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -122.8 | 116.3 | 163.9 | -152 | 175.2 | -160.8 | 0 | 0 | 109 | ||||
| 452 | E | 28.6 | Very low | 27 | Very low | 175 Ų | 175 | 157.8 Ų | 157.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -91 | 127.4 | -178.2 | -152.9 | -167.7 | 172.2 | 0 | 0 | 110.3 | ||||
| 453 | K | 26.8 | Very low | 27 | Very low | 198 Ų | 198 | 159.1 Ų | 159.1 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 33.9 | 125.2 | 153 | -85.1 | 177.2 | 174 | 166.1 | 0 | 121.2 | ||||
| 454 | G | 25 | Very low | 27.1 | Very low | 76 Ų | 76 | 158.3 Ų | 158.3 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -153.6 | 109.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 455 | K | 26.8 | Very low | 26.9 | Very low | 211 Ų | 211 | 157.3 Ų | 157.3 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -51.2 | 141.4 | 174.6 | -83.7 | 172.5 | 166.1 | 176.8 | 0 | 113.7 | ||||
| 456 | K | 26.4 | Very low | 27 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | -162.4 | 150.6 | 117.4 | -114.2 | 176.4 | -178.6 | -177.9 | 0 | 112.9 | |||||
| 457 | Q | 24.7 | Very low | 27 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -94 | 147.2 | -166.7 | 179.6 | 159.7 | 6.3 | 0 | 0 | 109.6 | ||||
| 458 | D | 27.3 | Very low | 27 | Very low | 155 Ų | 155 | 158 Ų | 158 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | -171.3 | 143.7 | 129.7 | -88.7 | -20.7 | 0 | 0 | 0 | 111.7 | |||||
| 459 | D | 24.5 | Very low | 26.8 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -60.1 | 152.7 | -174.2 | -64.7 | -54.7 | 0 | 0 | 0 | 114.3 | ||||
| 460 | V | 26.6 | Very low | 26.7 | Very low | 148 Ų | 148 | 152 Ų | 152 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | -167.6 | 139.8 | 115.4 | 163 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 461 | L | 24.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 147 Ų | 147 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -69.6 | 166.2 | -169.8 | -163.2 | 86.5 | 0 | 0 | 0 | 115.4 | ||||
| 462 | V | 26.1 | Very low | 26.8 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | trans | 88.7 | 125.2 | 153.1 | -167 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 463 | N | 27.1 | Very low | 26.7 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | cis | -156.6 | 159.3 | 26.8 | -124.9 | -15.9 | 0 | 0 | 0 | 112.9 | ||||
| 464 | A | 28.3 | Very low | 26.8 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | -89.7 | 151.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 465 | D | 27.3 | Very low | 26.8 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -176.6 | 110 | 133.2 | -117.1 | -11.8 | 0 | 0 | 0 | 106 | ||||
| 466 | Q | 28.6 | Very low | 26.8 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | 84.3 | 132.9 | 63.6 | -165.6 | 148.4 | 21 | 0 | 0 | 114.4 | |||||
| 467 | R | 28.4 | Very low | 26.8 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 89.7 | 136.7 | 157.1 | -92.6 | 168.9 | -83.4 | 150.9 | 0.2 | 117.7 | ||||
| 468 | D | 26.2 | Very low | 27 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | 158.9 | 155.6 | -23.5 | -174 | 14.8 | 0 | 0 | 0 | 105.2 | ||||
| 469 | C | 23.7 | Very low | 26.9 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | trans | 77 | 116 | 163.2 | -71.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 470 | S | 25.8 | Very low | 27.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | 83.6 | 137 | 73.5 | -164 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 471 | S | 30.5 | Very low | 27.3 | Very low | 93 Ų | 93 | 148.5 Ų | 148.5 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | -176.9 | 158.1 | 11.5 | 25.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 472 | E | 30.1 | Very low | 27.3 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | 65.9 | 122.2 | 146.4 | -72.2 | -169.6 | 141.9 | 0 | 0 | 122.9 | ||||
| 473 | M | 25.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | 168.7 | 120.6 | 95 | -170 | 77.7 | 76.5 | 0 | 0 | 113.3 | |||||
| 474 | K | 28.2 | Very low | 27.5 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 1.3 | 137.6 | 157.2 | -71 | 168.4 | 173.8 | 169.3 | 0 | 121.8 | ||||
| 475 | R | 26 | Very low | 27.6 | Very low | 249 Ų | 249 | 150 Ų | 150 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | -170 | 143.6 | 106.2 | -102 | -177.7 | -174.8 | -142.9 | 2.4 | 113.5 | |||||
| 476 | L | 26.9 | Very low | 27.8 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 149.8 | -177.9 | -82.3 | 87.2 | 0 | 0 | 0 | 114.8 | ||||
| 477 | A | 27.3 | Very low | 28 | Very low | 102 Ų | 102 | 150 Ų | 150 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | 173.7 | 137.9 | 107.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 478 | E | 28.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -74.5 | 150.4 | -179 | -65 | 159.8 | 128.5 | 0 | 0 | 114.7 | ||||
| 479 | L | 24.9 | Very low | 28.7 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -171.4 | 161.4 | 150 | -106.5 | 137.3 | 0 | 0 | 0 | 109.4 | ||||
| 480 | P | 30.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -119.4 | 176.6 | -116.1 | 24.2 | -0.9 | 0 | 0 | 0 | 115.2 | |||||
| 481 | E | 29.9 | Very low | 29.5 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -45 | 126.9 | 172.2 | -70.8 | 172.9 | 137.1 | 0 | 0 | 114.1 | ||||
| 482 | S | 24.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -105.9 | 119 | 164.2 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | A484 | S482-A484 PolarHBondContact O-N 2.96Š| ||
| 483 | V | 28.4 | Very low | 30.6 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 123.5 | 174.7 | 179 | 0 | 0 | 0 | 0 | 110.7 | Q485 | V483-Q485 PolarHBondContact O-N 2.66Š|
| 484 | A | 28.6 | Very low | 31.5 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S482 | S482-A484 PolarHBondContact O-N 2.96Š|
| 485 | Q | 31.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 127.9 | 167.9 | -86.9 | 160.5 | -40.3 | 0 | 0 | 109.8 | V483 | V483-Q485 PolarHBondContact O-N 2.66Š|
| 486 | L | 30.5 | Very low | 33.5 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 143.9 | 170.6 | -83.8 | 99 | 0 | 0 | 0 | 110.8 | ||
| 487 | P | 33.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 143.9 | 172.8 | 27.9 | -31.5 | 0 | 0 | 0 | 111.5 | ||
| 488 | A | 35.9 | Very low | 35.4 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 140.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 489 | A | 33.8 | Very low | 36.4 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 490 | P | 32.2 | Very low | 37.5 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 135.6 | 178.3 | 27.6 | -33 | 0 | 0 | 0 | 111.2 | Y492 | P490-Y492 PolarHBondContact O-N 3.22Š|
| 491 | V | 34 | Very low | 38.5 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 119.7 | 173 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 492 | Y | 38.8 | Very low | 39 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -108.4 | 141.9 | 173.1 | 61.1 | -89 | 0 | 0 | 0 | 110.4 | P490 V494 | P490-Y492 PolarHBondContact O-N 3.22Å; Y492-V494 HydrophobicContact CD2-CG2 3.73Å; Y492-V494 HydrophobicContact CE2-CG2 3.56Å | ||
| 493 | T | 44.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 126.6 | 168.1 | 39.8 | 0 | 0 | 0 | 0 | 109 | ||
| 494 | V | 45.2 | Very low | 40.7 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 62% | 0.624 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 128.1 | 175.9 | -178 | 0 | 0 | 0 | 0 | 108.6 | Y492 | Y492-V494 HydrophobicContact CD2-CG2 3.73Å; Y492-V494 HydrophobicContact CE2-CG2 3.56Å |
| 495 | V | 45.7 | Very low | 41.2 | Very low | 77 Ų | 77 | 119.6 Ų | 119.6 | 47% | 0.467 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.4 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 108 | L504 L506 | V495-L504 HydrophobicContact CG1-CD2 4.01Å; V495-L506 HydrophobicContact CG2-CD2 3.96Å |
| 496 | E | 49.3 | Very low | 41.8 | Very low | 168 Ų | 168 | 115.4 Ų | 115.4 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | -21.2 | -175.3 | -162.9 | 165.1 | 175.4 | 0 | 0 | 112.6 | ||
| 497 | G | 49.7 | Very low | 42.1 | Very low | 34 Ų | 34 | 111.9 Ų | 111.9 | 35% | 0.351 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 168.4 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L505 | G497-L505 PolarHBondContact O-N 3.42Å |
| 498 | V | 44.8 | Very low | 42.3 | Very low | 88 Ų | 88 | 111.7 Ų | 111.7 | 53% | 0.533 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.7 | 174.7 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | S503 L504 | V498-S503 WeakPolarHBondContact CA-O 3.5Å; V498-L504 HydrophobicContact CG2-CD2 3.76Å |
| 499 | D | 48.7 | Very low | 42.3 | Very low | 55 Ų | 55 | 113.2 Ų | 113.2 | 29% | 0.294 | 64% | 0.641 | S | S | . | * | trans | -73.1 | 170.3 | 175.5 | 76.9 | 11.5 | 0 | 0 | 0 | 112.2 | Q501 N502 S503 | D499-Q501 PolarHBondContact O-N 3.16Å; D499-Q501 VanDerWaalsContact OD1-C 3.24Å; D499-Q501 VanDerWaalsContact OD1-CA 3.27Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.44Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D499-Q501 PolarHBondContact OD1-N 2.78Å; D499-N502 PolarHBondContact O-N 2.96Å; D499-N502 PolarHBondContact OD1-N 2.98Å; D499-N502 VanDerWaalsContact OD1-N 3.14Å; D499-S503 PolarHBondContact N-O 3.11Å; D499-S503 WeakPolarHBondContact OD1-CB 3.25Å; D499-S503 PolarHBondContact OD1-N 3.22Å; D499-S503 PolarHBondContact OD1-OG 3.26Å; D499-S503 WeakPolarHBondContact OD2-CB 3.39Å; D499-S503 PolarHBondContact OD2-OG 3.46Å | ||
| 500 | M | 48.9 | Very low | 42.5 | Very low | 185 Ų | 185 | 114.7 Ų | 114.7 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -2.1 | -179.6 | -66.5 | -124.1 | -58.1 | 0 | 0 | 114 | ||
| 501 | Q | 50.2 | Low | 42.7 | Very low | 149 Ų | 149 | 113.2 Ų | 113.2 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 14.8 | 173.6 | -67.5 | 87.6 | 16.3 | 0 | 0 | 112.8 | D499 S503 | D499-Q501 PolarHBondContact O-N 3.16Å; D499-Q501 VanDerWaalsContact OD1-C 3.24Å; D499-Q501 VanDerWaalsContact OD1-CA 3.27Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.44Å; D499-Q501 WeakPolarHBondContact OD1-CB 3.34Å; D499-Q501 PolarHBondContact OD1-N 2.78Å; Q501-S503 VanDerWaalsContact C-N 3.32Å; Q501-S503 PolarHBondContact O-N 3.42Å |
| 502 | N | 41.8 | Very low | 42.6 | Very low | 144 Ų | 144 | 112.1 Ų | 112.1 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 66.3 | 25.8 | -179.6 | -89.6 | 47.6 | 0 | 0 | 0 | 114.8 | D499 | D499-N502 PolarHBondContact O-N 2.96Å; D499-N502 PolarHBondContact OD1-N 2.98Å; D499-N502 VanDerWaalsContact OD1-N 3.14Å |
| 503 | S | 43.6 | Very low | 42.3 | Very low | 58 Ų | 58 | 110.3 Ų | 110.3 | 41% | 0.406 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 138.6 | 176.6 | -31.1 | 0 | 0 | 0 | 0 | 111.2 | V498 D499 Q501 | V498-S503 WeakPolarHBondContact CA-O 3.5Å; D499-S503 PolarHBondContact N-O 3.11Å; D499-S503 WeakPolarHBondContact OD1-CB 3.25Å; D499-S503 PolarHBondContact OD1-N 3.22Å; D499-S503 PolarHBondContact OD1-OG 3.26Å; D499-S503 WeakPolarHBondContact OD2-CB 3.39Å; D499-S503 PolarHBondContact OD2-OG 3.46Å; Q501-S503 VanDerWaalsContact C-N 3.32Å; Q501-S503 PolarHBondContact O-N 3.42Å |
| 504 | L | 44 | Very low | 41.8 | Very low | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.5 | 177.3 | -64.1 | -179.7 | 0 | 0 | 0 | 111 | V495 V498 | V495-L504 HydrophobicContact CG1-CD2 4.01Å; V498-L504 HydrophobicContact CG2-CD2 3.76Å |
| 505 | L | 38.8 | Very low | 41 | Very low | 110 Ų | 110 | 112.7 Ų | 112.7 | 58% | 0.576 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.4 | 178.2 | -125.7 | 143.5 | 0 | 0 | 0 | 109.8 | G497 | G497-L505 PolarHBondContact O-N 3.42Å |
| 506 | L | 43.8 | Very low | 40.4 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121 | 131.5 | -177.6 | -62.5 | 173.2 | 0 | 0 | 0 | 110.3 | V495 | V495-L506 HydrophobicContact CG2-CD2 3.96Å |
| 507 | T | 37.5 | Very low | 39.6 | Very low | 89 Ų | 89 | 110.4 Ų | 110.4 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | trans | -107.9 | 121.9 | 176.3 | -44.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 508 | P | 38.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.6 | 176.7 | 29.7 | -31.2 | 0 | 0 | 0 | 110.9 | ||
| 509 | T | 34.9 | Very low | 37.9 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 137.4 | 173 | -31.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 510 | P | 38.1 | Very low | 37 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135.9 | -179.3 | 26.4 | -32.6 | 0 | 0 | 0 | 112.1 | ||
| 511 | A | 35.7 | Very low | 35.9 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65 | 147 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N513 | A511-N513 PolarHBondContact O-N 3.3Š|
| 512 | P | 32.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 118 Ų | 118 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121.4 | 175.5 | 28.8 | -30.5 | 0 | 0 | 0 | 110.9 | ||
| 513 | N | 32.2 | Very low | 34.8 | Very low | 152 Ų | 152 | 115.9 Ų | 115.9 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.8 | 169.1 | -94.6 | -16.5 | 0 | 0 | 0 | 110.8 | A511 T515 | A511-N513 PolarHBondContact O-N 3.3Å; N513-T515 PolarHBondContact O-N 3.42Å |
| 514 | P | 34.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -80.4 | 104.5 | 165.7 | 29.4 | -28.4 | 0 | 0 | 0 | 110.1 | G516 | P514-G516 PolarHBondContact O-N 3.24Š| ||
| 515 | T | 28.7 | Very low | 33.5 | Very low | 139 Ų | 139 | 119 Ų | 119 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -74.7 | 100.4 | 170 | -42.6 | 0 | 0 | 0 | 0 | 109.4 | N513 | N513-T515 PolarHBondContact O-N 3.42Š| ||
| 516 | G | 32.9 | Very low | 33 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86 | 151.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P514 | P514-G516 PolarHBondContact O-N 3.24Š|
| 517 | P | 31.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.8 | -175.2 | 28.6 | -32.1 | 0 | 0 | 0 | 113.8 | ||
| 518 | K | 26.9 | Very low | 32.3 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 124.1 | -170.4 | -104.4 | -175.2 | 179.8 | 175.2 | 0 | 114.7 | ||
| 519 | I | 32.1 | Very low | 32.3 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 52.1 | 149.4 | 138.7 | -5.4 | 178.7 | 0 | 0 | 0 | 121.4 | ||||
| 520 | P | 29.6 | Very low | 32.4 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -134.1 | 176.6 | 66.3 | 21.8 | 3 | 0 | 0 | 0 | 116.1 | |||||
| 521 | A | 27.3 | Very low | 32.8 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | trans | -103.9 | 153.1 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 522 | T | 29.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | 64.6 | 161.7 | 146.3 | 52.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 523 | P | 38.8 | Very low | 33.2 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | cis | -139.2 | 178.3 | 9.9 | 41.5 | -22 | 0 | 0 | 0 | 117.9 | ||||
| 524 | D | 29.6 | Very low | 33.3 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 82.2 | 126.2 | 148.5 | -59.6 | -30.7 | 0 | 0 | 0 | 123.2 | ||||
| 525 | G | 30.5 | Very low | 33.3 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 149.5 | 81.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 526 | Y | 28.4 | Very low | 33.6 | Very low | 224 Ų | 224 | 132.3 Ų | 132.3 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 150.7 | 170.1 | -79.1 | -98.9 | 0 | 0 | 0 | 113.1 | ||||
| 527 | L | 32.1 | Very low | 34.1 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | 169 | 121.8 | 109.4 | -83.5 | 172.6 | 0 | 0 | 0 | 111.5 | |||||
| 528 | T | 34.5 | Very low | 34.2 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 72% | 0.718 | 82% | 0.821 | S | S | * | * | trans | -84.9 | 146.4 | 170.9 | 39.1 | 0 | 0 | 0 | 0 | 111.2 | D530 | T528-D530 PolarHBondContact O-N 3.17Å; T528-D530 VanDerWaalsContact O-N 3.17Å | ||
| 529 | P | 38.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -87.6 | 81.8 | -178.2 | 33.7 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 530 | D | 37 | Very low | 34.8 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | -106.3 | 23.9 | 165.4 | -80.3 | -34 | 0 | 0 | 0 | 112.8 | T528 | T528-D530 PolarHBondContact O-N 3.17Å; T528-D530 VanDerWaalsContact O-N 3.17Å | ||
| 531 | L | 47.5 | Very low | 35.1 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -138.8 | 76.6 | 177.5 | -83.7 | 165.6 | 0 | 0 | 0 | 111 | ||||
| 532 | L | 41.3 | Very low | 35.6 | Very low | 181 Ų | 181 | 140 Ų | 140 | 95% | 0.948 | 84% | 0.838 | S | S | * | * | trans | -159.8 | 59 | 155.2 | -102.1 | 142.2 | 0 | 0 | 0 | 109.8 | ||||
| 533 | G | 33.8 | Very low | 36 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | trans | -99.6 | 103.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 534 | S | 35.7 | Very low | 35.8 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | 170.4 | 143.7 | 139.7 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 535 | V | 34.2 | Very low | 36.3 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 82% | 0.824 | 85% | 0.851 | S | S | * | * | trans | 98.9 | 90.1 | 166.9 | -162.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 536 | T | 34.8 | Very low | 36.7 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | -65.8 | 159.7 | 141.4 | 38.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 537 | P | 43.3 | Very low | 37.5 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 100% | 1.266 | 85% | 0.854 | S | S | * | * | cis | -106.3 | 0 | 19.8 | 38.1 | -31 | 0 | 0 | 0 | 116.2 |
Retrieved 537 of 537 residues in 486.5 ms
(Link to these results)