| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.9 | Low | 56.3 | Low | 210 Ų | 210 | 118.3 Ų | 118.3 | 100% | 1.034 | 64% | 0.643 | S | S | * | * | 0 | -39.3 | 0 | -63.1 | -64.5 | -88 | 0 | 0 | 113.1 | L3 | M1-L3 PolarHBondContact O-N 3.42Š| |||
| 2 | A | 57 | Low | 55.9 | Low | 71 Ų | 71 | 119 Ų | 119 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.4 | -27 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V4 L5 | A2-V4 PolarHBondContact O-N 3.42Å; A2-L5 PolarHBondContact O-N 3.28Å |
| 3 | L | 55.1 | Low | 54.8 | Low | 128 Ų | 128 | 115.7 Ų | 115.7 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.5 | -27.3 | -176.9 | -117.2 | 134.5 | 0 | 0 | 0 | 113.8 | M1 | M1-L3 PolarHBondContact O-N 3.42Å |
| 4 | V | 58.4 | Low | 53.8 | Low | 101 Ų | 101 | 121.5 Ų | 121.5 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.4 | -33.4 | 178.6 | 180 | 0 | 0 | 0 | 0 | 111 | A2 Q6 L7 L8 | A2-V4 PolarHBondContact O-N 3.42Å; V4-Q6 VanDerWaalsContact C-N 3.35Å; V4-L7 PolarHBondContact O-N 3.39Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.5Å |
| 5 | L | 57.7 | Low | 52.9 | Low | 126 Ų | 126 | 122.1 Ų | 122.1 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.4 | -24.1 | 177.3 | -79.8 | 159.2 | 0 | 0 | 0 | 113.3 | A2 P9 | A2-L5 PolarHBondContact O-N 3.28Å; L5-P9 WeakPolarHBondContact O-CD 3.12Å |
| 6 | Q | 59.2 | Low | 52 | Low | 139 Ų | 139 | 124.8 Ų | 124.8 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81.4 | -19.2 | 175.4 | -71.8 | -179.2 | -11.2 | 0 | 0 | 113.4 | V4 P9 | V4-Q6 VanDerWaalsContact C-N 3.35Å; Q6-P9 WeakPolarHBondContact O-CD 3.48Å; Q6-P9 WeakPolarHBondContact O-CG 3.15Å |
| 7 | L | 57 | Low | 51.2 | Low | 92 Ų | 92 | 120.9 Ų | 120.9 | 48% | 0.482 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -90.5 | -18.1 | 176.7 | -75.4 | 161.6 | 0 | 0 | 0 | 113.4 | V4 L10 L11 | V4-L7 PolarHBondContact O-N 3.39Å; L7-L10 HydrophobicContact CD2-CD1 4.16Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-L11 PolarHBondContact O-N 2.86Å |
| 8 | L | 56 | Low | 51.4 | Low | 83 Ų | 83 | 117.6 Ų | 117.6 | 44% | 0.435 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -55.9 | -47.8 | 173.2 | -111.4 | 77.3 | 0 | 0 | 0 | 114 | V4 L10 L11 L12 | V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.5Å; L8-L10 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.13Å; L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.41Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | P | 58 | Low | 51.9 | Low | 84 Ų | 84 | 116 Ų | 116 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.9 | -24 | -179.7 | 23.3 | -32.5 | 0 | 0 | 0 | 113.4 | L5 Q6 S13 | L5-P9 WeakPolarHBondContact O-CD 3.12Å; Q6-P9 WeakPolarHBondContact O-CD 3.48Å; Q6-P9 WeakPolarHBondContact O-CG 3.15Å; P9-S13 PolarHBondContact O-N 3.5Å |
| 10 | L | 53.3 | Low | 53 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.1 | -35.9 | 174.5 | -81.8 | 154.7 | 0 | 0 | 0 | 111.7 | L7 L8 S13 | L7-L10 HydrophobicContact CD2-CD1 4.16Å; L7-L10 PolarHBondContact O-N 3.39Å; L8-L10 PolarHBondContact O-N 3.25Å; L10-S13 PolarHBondContact O-OG 2.97Å |
| 11 | L | 54.9 | Low | 54.6 | Low | 146 Ų | 146 | 113 Ų | 113 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.7 | -24.7 | 178.1 | -70.2 | 164.9 | 0 | 0 | 0 | 113.4 | L7 L8 | L7-L11 PolarHBondContact O-N 2.86Å; L8-L11 PolarHBondContact O-N 3.45Å; L8-L11 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 51.7 | Low | 56.5 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -87.4 | -5.5 | 176.7 | -83.2 | 117.4 | 0 | 0 | 0 | 114.3 | L8 K14 | L8-L12 HydrophobicContact CB-CD1 4.48Å; L8-L12 HydrophobicContact CG-CD1 4.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.41Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.12Å; L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.63Å |
| 13 | S | 41.5 | Very low | 58.1 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 53% | 0.531 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -2.8 | -175 | 64 | 0 | 0 | 0 | 0 | 115.3 | P9 L10 V15 | P9-S13 PolarHBondContact O-N 3.5Å; L10-S13 PolarHBondContact O-OG 2.97Å; S13-V15 PolarHBondContact O-N 2.97Å; S13-V15 VanDerWaalsContact O-N 3.11Å |
| 14 | K | 40.3 | Very low | 60 | Low | 197 Ų | 197 | 105.4 Ų | 105.4 | 86% | 0.857 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 25.8 | 176.8 | -147.6 | -162.9 | 178 | 85.7 | 0 | 114.2 | L12 Q16 | L12-K14 VanDerWaalsContact C-N 3.26Å; L12-K14 PolarHBondContact O-N 2.63Å; K14-Q16 VanDerWaalsContact C-N 3.26Å |
| 15 | V | 40 | Very low | 61.7 | Low | 131 Ų | 131 | 100.8 Ų | 100.8 | 79% | 0.794 | 55% | 0.549 | S | S | * | . | trans | -98.6 | 57.5 | 159 | -170.1 | 0 | 0 | 0 | 0 | 107.5 | S13 G17 | S13-V15 PolarHBondContact O-N 2.97Å; S13-V15 VanDerWaalsContact O-N 3.11Å; V15-G17 PolarHBondContact O-N 3.14Å | ||
| 16 | Q | 38.2 | Very low | 63.5 | Low | 165 Ų | 165 | 98.5 Ų | 98.5 | 77% | 0.771 | 54% | 0.538 | S | S | * | . | trans | -72 | 86.8 | 165.2 | -166.4 | 80 | 32.4 | 0 | 0 | 105.9 | K14 N18 | K14-Q16 VanDerWaalsContact C-N 3.26Å; Q16-N18 PolarHBondContact O-N 3.15Å | ||
| 17 | G | 40 | Very low | 65.3 | Low | 58 Ų | 58 | 95 Ų | 95 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | trans | -51.8 | 111.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | V15 | V15-G17 PolarHBondContact O-N 3.14Š| ||
| 18 | N | 53.4 | Low | 67 | Low | 61 Ų | 61 | 93 Ų | 93 | 33% | 0.326 | 53% | 0.529 | S | S | . | . | trans | -52.9 | 126.2 | 176.6 | -167.8 | 10.1 | 0 | 0 | 0 | 107.9 | Q16 E20 E113 | Q16-N18 PolarHBondContact O-N 3.15Å; N18-E20 PolarHBondContact O-N 3.27Å; N18-E113 PolarHBondContact ND2-O 3.21Å | ||
| 19 | P | 60.8 | Low | 68.9 | Low | 88 Ų | 88 | 92.3 Ų | 92.3 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | trans | -60.8 | 105.9 | 180 | 23.6 | -32.8 | 0 | 0 | 0 | 108.4 | V21 | P19-V21 PolarHBondContact O-N 3.29Å; P19-V21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | E | 75.3 | Confident | 70.8 | Confident | 123 Ų | 123 | 95.4 Ų | 95.4 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | trans | -68.4 | 111.1 | 175.5 | -171.5 | 172.1 | 139.7 | 0 | 0 | 107.6 | N18 S22 V117 | N18-E20 PolarHBondContact O-N 3.27Å; E20-S22 PolarHBondContact O-N 3.49Å; E20-V117 HydrophobicContact CG-CG2 3.85Å; E20-V117 WeakPolarHBondContact OE1-CG2 3.41Å | ||
| 21 | V | 86.9 | Confident | 72.8 | Confident | 46 Ų | 46 | 90.5 Ų | 90.5 | 28% | 0.279 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112.8 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | P19 L23 I36 R115 T116 V117 | P19-V21 PolarHBondContact O-N 3.29Å; P19-V21 VanDerWaalsContact O-N 3.14Å; V21-L23 HydrophobicContact CG1-CD2 4.16Å; V21-L23 HydrophobicContact CG1-CG 4.33Å; V21-I36 HydrophobicContact CG2-CD1 3.94Å; V21-R115 PolarHBondContact N-O 3.28Å; V21-T116 HydrophobicContact CB-CG2 4.3Å; V21-T116 HydrophobicContact CG1-CG2 4.35Å; V21-T116 CarbonylContact O-C 3.58Å; V21-T116 VanDerWaalsContact O-CA 3.27Å; V21-T116 WeakPolarHBondContact O-CA 3.39Å; V21-T116 WeakPolarHBondContact O-CG2 3.42Å; V21-V117 PolarHBondContact O-N 2.9Å |
| 22 | S | 90.9 | Very high | 74.7 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.7 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | E20 V117 | E20-S22 PolarHBondContact O-N 3.49Å; S22-V117 CarbonylContact C-O 3.45Å; S22-V117 WeakPolarHBondContact CA-O 3.44Å |
| 23 | L | 92.3 | Very high | 76.7 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 25% | 0.251 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.9 | 174.8 | -59.9 | 177.4 | 0 | 0 | 0 | 108.8 | V21 L33 T116 V117 I118 Q119 | V21-L23 HydrophobicContact CG1-CD2 4.16Å; V21-L23 HydrophobicContact CG1-CG 4.33Å; L23-L33 HydrophobicContact CD1-CD2 4.09Å; L23-T116 HydrophobicContact CD1-CG2 3.7Å; L23-T116 HydrophobicContact CG-CG2 4.02Å; L23-V117 PolarHBondContact N-O 3.11Å; L23-I118 CarbonylContact O-C 3.51Å; L23-I118 WeakPolarHBondContact O-CA 3.48Å; L23-Q119 PolarHBondContact O-N 3.29Å |
| 24 | E | 94.8 | Very high | 79.1 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.5 | 176.2 | -170.4 | 174.5 | 164.5 | 0 | 0 | 108.9 | Q119 L121 | E24-Q119 WeakPolarHBondContact CA-O 3.37Å; E24-L121 HydrophobicContact CG-CD2 4.39Å; E24-L121 HydrophobicContact CG-CG 4.25Å; E24-L121 VanDerWaalsContact OE1-CD2 3.24Å; E24-L121 WeakPolarHBondContact OE1-CD2 3.35Å |
| 25 | G | 94.1 | Very high | 81.6 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 170 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q119 V120 L121 | G25-Q119 PolarHBondContact N-O 3.12Å; G25-Q119 VanDerWaalsContact N-O 3.08Å; G25-V120 CarbonylContact O-C 3.58Å; G25-V120 WeakPolarHBondContact O-CA 3.33Å; G25-L121 PolarHBondContact O-N 3.42Å |
| 26 | N | 95.8 | Very high | 83.9 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | trans | -98.1 | 156.8 | 177.4 | -58.9 | -83.1 | 0 | 0 | 0 | 111.1 | G28 D29 L96 L121 | N26-G28 PolarHBondContact O-N 2.93Å; N26-D29 WeakPolarHBondContact CB-OD2 3.32Å; N26-D29 PolarHBondContact N-OD2 2.94Å; N26-D29 PolarHBondContact ND2-OD2 2.75Å; N26-D29 WeakPolarHBondContact O-CB 3.25Å; N26-D29 PolarHBondContact O-N 3.02Å; N26-L96 WeakPolarHBondContact O-CB 3.45Å; N26-L121 VanDerWaalsContact OD1-CD1 3.24Å; N26-L121 WeakPolarHBondContact OD1-CD1 3.33Å | ||
| 27 | P | 95.4 | Very high | 86.3 | Confident | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.4 | 166.2 | -23 | 33.8 | 0 | 0 | 0 | 110.9 | V120 | P27-V120 HydrophobicContact CG-CG1 3.83Š|
| 28 | G | 94.4 | Very high | 88.6 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -14.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N26 L95 L96 | N26-G28 PolarHBondContact O-N 2.93Å; G28-L95 WeakPolarHBondContact O-CD1 3.44Å; G28-L96 PolarHBondContact N-O 2.69Å |
| 29 | D | 96.3 | Very high | 90.1 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | trans | -73 | 149.9 | 175.4 | -66.4 | -16.2 | 0 | 0 | 0 | 110.9 | N26 L96 | N26-D29 WeakPolarHBondContact CB-OD2 3.32Å; N26-D29 PolarHBondContact N-OD2 2.94Å; N26-D29 PolarHBondContact ND2-OD2 2.75Å; N26-D29 WeakPolarHBondContact O-CB 3.25Å; N26-D29 PolarHBondContact O-N 3.02Å; D29-L96 HydrophobicContact CB-CD1 4.34Å; D29-L96 PolarHBondContact O-N 3.28Å | ||
| 30 | R | 96.2 | Very high | 91.4 | Very high | 149 Ų | 149 | 64.8 Ų | 64.8 | 56% | 0.562 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.4 | 171.8 | -68.1 | -178.7 | 178.7 | -84.5 | -5.6 | 109.4 | E93 L94 L95 | R30-E93 HydrophobicContact CB-CG 4.27Å; R30-E93 IonicContact CZ-OE2 2.74Å; R30-E93 IonicContact NH1-OE2 3.8Å; R30-E93 PolarHBondContact NH1-OE2 3.49Å; R30-L94 WeakPolarHBondContact CA-O 3.26Å; R30-L95 HydrophobicContact CG-CD1 3.91Å |
| 31 | V | 95.6 | Very high | 92.2 | Very high | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.2 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | E93 L94 L96 I118 | V31-E93 WeakPolarHBondContact O-CA 3.44Å; V31-L94 HydrophobicContact CG2-CB 4.15Å; V31-L94 PolarHBondContact N-O 3.24Å; V31-L94 PolarHBondContact O-N 2.88Å; V31-L96 HydrophobicContact CG1-CD1 3.65Å; V31-L96 HydrophobicContact CG1-CG 4.04Å; V31-L96 HydrophobicContact CG2-CD1 4.31Å; V31-L96 HydrophobicContact CG2-CD2 3.65Å; V31-L96 HydrophobicContact CG2-CG 3.92Å; V31-I118 HydrophobicContact CG2-CD1 4.15Å |
| 32 | N | 94.9 | Very high | 92.4 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 54% | 0.535 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.2 | -178.9 | -69.6 | -25.7 | 0 | 0 | 0 | 110.7 | L85 L92 | N32-L85 WeakPolarHBondContact OD1-CD1 3.14Å; N32-L92 CarbonylContact C-O 3.52Å; N32-L92 WeakPolarHBondContact CA-O 3.13Å |
| 33 | L | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.4 | 173.7 | -49.8 | 176.7 | 0 | 0 | 0 | 108.6 | L23 W44 R91 L92 L94 F104 T116 I118 | L23-L33 HydrophobicContact CD1-CD2 4.09Å; L33-W44 HydrophobicContact CB-CH2 3.71Å; L33-W44 HydrophobicContact CB-CZ2 4.32Å; L33-W44 HydrophobicContact CB-CZ3 4.12Å; L33-R91 CarbonylContact O-C 3.5Å; L33-R91 VanDerWaalsContact O-CA 3.3Å; L33-R91 WeakPolarHBondContact O-CA 3.44Å; L33-L92 HydrophobicContact CB-CB 4.28Å; L33-L92 PolarHBondContact N-O 3.29Å; L33-L92 PolarHBondContact O-N 2.68Å; L33-L94 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CD1 3.71Å; L33-F104 HydrophobicContact CD1-CE1 4.09Å; L33-F104 HydrophobicContact CD1-CG 4.05Å; L33-T116 HydrophobicContact CD2-CG2 3.97Å; L33-I118 HydrophobicContact CD1-CD1 4.48Å; L33-I118 HydrophobicContact CD2-CD1 3.55Å; L33-I118 HydrophobicContact CD2-CG1 4.18Å |
| 34 | S | 92.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.6 | 179.9 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | I36 | S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.41Å; S34-I36 WeakPolarHBondContact OG-CG1 3.48Å |
| 35 | C | 91.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | trans | -78.5 | 73.8 | 172.9 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | V38 W44 I89 K90 C106 S114 | C35-V38 HydrophobicContact CB-CB 4.23Å; C35-W44 HydrophobicContact CB-CZ2 4.35Å; C35-W44 WeakPolarHBondContact SG-CZ2 3.3Å; C35-I89 PolarHBondContact SG-O 3.27Å; C35-K90 HydrophobicContact CB-CG 3.91Å; C35-K90 WeakPolarHBondContact CB-O 3.24Å; C35-K90 PolarHBondContact N-O 2.86Å; C35-C106 HydrophobicContact CB-CB 3.87Å; C35-C106 WeakPolarHBondContact CB-SG 3.38Å; C35-C106 WeakPolarHBondContact SG-CB 3.07Å; C35-C106 CovalentContact SG-SG 2.03Å; C35-C106 PolarHBondContact SG-SG 2.77Å; C35-S114 WeakPolarHBondContact CA-OG 3.23Å | ||
| 36 | I | 89.6 | Confident | 92.6 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 46% | 0.456 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 132.6 | 178.9 | -52.8 | 176.9 | 0 | 0 | 0 | 109.7 | V21 S34 V38 S114 | V21-I36 HydrophobicContact CG2-CD1 3.94Å; S34-I36 VanDerWaalsContact C-N 3.28Å; S34-I36 PolarHBondContact O-N 3.41Å; S34-I36 WeakPolarHBondContact OG-CG1 3.48Å; I36-V38 PolarHBondContact O-N 3.44Å; I36-S114 WeakPolarHBondContact O-CB 3.21Å |
| 37 | G | 87.1 | Confident | 92.6 | Very high | 67 Ų | 67 | 50 Ų | 50 | 69% | 0.691 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 38 | V | 89.3 | Confident | 92.6 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | trans | -114.6 | 112.9 | 176 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | C35 I36 P41 G108 N112 | C35-V38 HydrophobicContact CB-CB 4.23Å; I36-V38 PolarHBondContact O-N 3.44Å; V38-P41 HydrophobicContact CG1-CB 4.19Å; V38-G108 VanDerWaalsContact CG1-CA 3.45Å; V38-N112 HydrophobicContact CG2-CB 4.36Å | ||
| 39 | S | 85.7 | Confident | 92.5 | Very high | 90 Ų | 90 | 48 Ų | 48 | 63% | 0.629 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72 | -53.3 | -178.2 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | P41 | S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.44Å |
| 40 | D | 88 | Confident | 92.4 | Very high | 111 Ų | 111 | 47.9 Ų | 47.9 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -116.9 | 82.9 | -176.3 | -59.8 | -67.8 | 0 | 0 | 0 | 110.8 | G108 R109 | D40-G108 VanDerWaalsContact O-CA 3.23Å; D40-G108 WeakPolarHBondContact O-CA 3.32Å; D40-R109 PolarHBondContact O-N 2.88Å |
| 41 | P | 90.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.6 | -179 | 30 | -35.6 | 0 | 0 | 0 | 110.8 | V38 S39 I89 K90 C106 | V38-P41 HydrophobicContact CG1-CB 4.19Å; S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.44Å; P41-I89 HydrophobicContact CB-CD1 4.12Å; P41-I89 HydrophobicContact CB-CG1 3.91Å; P41-I89 HydrophobicContact CG-CG1 3.87Å; P41-K90 HydrophobicContact CG-CB 4.12Å; P41-C106 VanDerWaalsContact CB-SG 3.56Å |
| 42 | T | 91.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -33.5 | -177.6 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | A66 K107 R109 | T42-A66 PolarHBondContact O-N 3.4Å; T42-K107 PolarHBondContact N-O 2.85Å; T42-K107 PolarHBondContact OG1-O 2.93Å; T42-R109 HydrophobicContact CG2-CB 4.42Å; T42-R109 HydrophobicContact CG2-CG 3.45Å; T42-R109 VanDerWaalsContact CG2-CG 3.45Å |
| 43 | R | 92.4 | Very high | 91.5 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 155.4 | -179 | 69 | -176 | -170.9 | -172.1 | 1.9 | 112.3 | L64 W65 K107 | R43-L64 CarbonylContact C-O 3.58Å; R43-L64 VanDerWaalsContact CA-O 3.26Å; R43-L64 WeakPolarHBondContact CA-O 3.34Å; R43-W65 HydrophobicContact CB-CD2 4.1Å; R43-W65 HydrophobicContact CB-CE3 3.6Å; R43-W65 HydrophobicContact CB-CZ3 3.86Å; R43-W65 VanDerWaalsContact CD-CZ3 3.43Å; R43-W65 HydrophobicContact CG-CE3 4.46Å; R43-W65 HydrophobicContact CG-CZ3 4.23Å; R43-K107 HydrophobicContact CG-CB 4.02Å; R43-K107 PolarHBondContact N-O 3.37Å; R43-K107 PolarHBondContact O-N 2.84Å |
| 44 | W | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.5 | 162.2 | -73.6 | 82.8 | 0 | 0 | 0 | 111 | L33 C35 I63 L64 I89 L92 F104 F105 C106 | L33-W44 HydrophobicContact CB-CH2 3.71Å; L33-W44 HydrophobicContact CB-CZ2 4.32Å; L33-W44 HydrophobicContact CB-CZ3 4.12Å; C35-W44 HydrophobicContact CB-CZ2 4.35Å; C35-W44 WeakPolarHBondContact SG-CZ2 3.3Å; W44-I63 HydrophobicContact CB-CD1 3.93Å; W44-I63 HydrophobicContact CB-CG1 3.59Å; W44-I63 WeakPolarHBondContact O-CG1 3.44Å; W44-I63 PolarHBondContact O-N 2.79Å; W44-L64 HydrophobicContact CB-CB 4.09Å; W44-L64 PolarHBondContact N-O 3.27Å; W44-L64 PolarHBondContact O-N 2.98Å; W44-I89 PolarHBondContact NE1-O 2.63Å; W44-L92 HydrophobicContact CB-CD1 4.46Å; W44-L92 HydrophobicContact CD2-CD1 3.72Å; W44-L92 HydrophobicContact CG-CD1 3.68Å; W44-L92 HydrophobicContact CZ2-CD1 4.13Å; W44-L92 HydrophobicContact CZ2-CG 4.16Å; W44-F104 HydrophobicContact CE3-CB 4.25Å; W44-F104 HydrophobicContact CZ3-CB 4.08Å; W44-F105 CarbonylContact C-O 3.56Å; W44-F105 VanDerWaalsContact CA-O 3.28Å; W44-F105 WeakPolarHBondContact CA-O 3.13Å; W44-C106 HydrophobicContact CD2-CB 3.87Å; W44-C106 HydrophobicContact CE3-CB 3.88Å; W44-C106 HydrophobicContact CH2-CB 3.78Å; W44-C106 HydrophobicContact CZ2-CB 3.79Å; W44-C106 HydrophobicContact CZ3-CB 3.81Å |
| 45 | A | 94.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 155.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R61 F104 F105 | A45-R61 CarbonylContact C-O 3.51Å; A45-R61 WeakPolarHBondContact CA-O 3.49Å; A45-R61 WeakPolarHBondContact CB-O 3.12Å; A45-F104 CarbonylContact O-C 3.6Å; A45-F104 WeakPolarHBondContact O-CA 3.47Å; A45-F105 HydrophobicContact CB-CB 4.35Å; A45-F105 PolarHBondContact N-O 3.26Å; A45-F105 PolarHBondContact O-N 3.36Å |
| 46 | W | 95.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.5 | 177.3 | 169.3 | 68.6 | 0 | 0 | 0 | 109.9 | P48 L56 R61 I63 H77 F78 D100 T103 F104 | W46-P48 HydrophobicContact CH2-CB 3.73Å; W46-P48 HydrophobicContact CH2-CG 4.19Å; W46-P48 HydrophobicContact CZ2-CB 3.51Å; W46-P48 HydrophobicContact CZ2-CG 4.33Å; W46-P48 HydrophobicContact CZ3-CB 4.38Å; W46-P48 HydrophobicContact CZ3-CG 4.39Å; W46-L56 HydrophobicContact CH2-CD1 4.38Å; W46-L56 HydrophobicContact CZ3-CD1 4.14Å; W46-R61 PolarHBondContact N-O 3.22Å; W46-R61 PolarHBondContact O-N 3.21Å; W46-I63 HydrophobicContact CB-CD1 4.36Å; W46-I63 HydrophobicContact CB-CG2 3.55Å; W46-H77 AromaticContact CH2-NE2 3.94Å; W46-F78 HydrophobicContact CB-CE2 4.22Å; W46-F78 HydrophobicContact CB-CZ 4.49Å; W46-F78 AromaticContact CD2-CE2 3.88Å; W46-F78 HydrophobicContact CD2-CE2 3.88Å; W46-F78 AromaticContact CD2-CZ 3.77Å; W46-F78 HydrophobicContact CD2-CZ 3.77Å; W46-F78 AromaticContact CE2-CZ 3.99Å; W46-F78 AromaticContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CZ 4.04Å; W46-F78 HydrophobicContact CG-CE2 4.11Å; W46-F78 AromaticContact CG-CZ 4Å; W46-F78 HydrophobicContact CG-CZ 4Å; W46-F78 HydrophobicContact CZ2-CZ 4.42Å; W46-F78 HydrophobicContact CZ3-CE2 4.35Å; W46-F78 HydrophobicContact CZ3-CZ 4.47Å; W46-D100 PolarHBondContact NE1-O 2.95Å; W46-D100 VanDerWaalsContact NE1-O 3.13Å; W46-T103 CarbonylContact C-O 3.58Å; W46-T103 WeakPolarHBondContact CA-O 3.25Å; W46-F104 HydrophobicContact CB-CD1 4.34Å; W46-F104 HydrophobicContact CB-CE1 4.22Å; W46-F104 AromaticContact CD1-CD2 4Å; W46-F104 AromaticContact CD1-CE1 3.84Å; W46-F104 AromaticContact CD1-CE2 3.51Å; W46-F104 AromaticContact CD1-CZ 3.43Å; W46-F104 VanDerWaalsContact CD1-CZ 3.43Å; W46-F104 HydrophobicContact CG-CE1 4.23Å; W46-F104 HydrophobicContact CG-CZ 4.18Å; W46-F104 AromaticContact NE1-CE2 3.91Å; W46-F104 AromaticContact NE1-CZ 3.88Å |
| 47 | A | 95.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 112.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R60 G102 T103 F105 | A47-R60 HydrophobicContact CB-CG 4.26Å; A47-G102 CarbonylContact O-C 3.47Å; A47-G102 WeakPolarHBondContact O-CA 3.36Å; A47-T103 PolarHBondContact N-O 2.89Å; A47-T103 PolarHBondContact O-N 2.69Å; A47-F105 HydrophobicContact CB-CE2 3.73Å; A47-F105 HydrophobicContact CB-CZ 4.48Å |
| 48 | P | 94.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.4 | 176.6 | 24 | -33.7 | 0 | 0 | 0 | 111.1 | W46 F50 P51 L56 | W46-P48 HydrophobicContact CH2-CB 3.73Å; W46-P48 HydrophobicContact CH2-CG 4.19Å; W46-P48 HydrophobicContact CZ2-CB 3.51Å; W46-P48 HydrophobicContact CZ2-CG 4.33Å; W46-P48 HydrophobicContact CZ3-CB 4.38Å; W46-P48 HydrophobicContact CZ3-CG 4.39Å; P48-F50 VanDerWaalsContact C-N 3.29Å; P48-P51 HydrophobicContact CB-CB 4.46Å; P48-P51 HydrophobicContact CG-CB 3.75Å; P48-P51 HydrophobicContact CG-CG 4.48Å; P48-L56 HydrophobicContact CG-CD1 4.48Å |
| 49 | S | 93.6 | Very high | 90.8 | Very high | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -66.7 | -35.1 | 169.4 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | P51 S101 G102 | S49-P51 VanDerWaalsContact C-CD 3.48Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-S101 PolarHBondContact N-O 2.8Å; S49-G102 WeakPolarHBondContact OG-CA 3.33Å; S49-G102 PolarHBondContact OG-N 3.17Å |
| 50 | F | 92.8 | Very high | 91.2 | Very high | 66 Ų | 66 | 59.9 Ų | 59.9 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | trans | -125.4 | 67.2 | -176.4 | -47.6 | -59.3 | 0 | 0 | 0 | 111.9 | P48 A52 C53 D123 A125 | P48-F50 VanDerWaalsContact C-N 3.29Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.09Å; F50-C53 HydrophobicContact CB-CB 4.46Å; F50-C53 PolarHBondContact O-N 3.11Å; F50-D123 HydrophobicContact CD2-CB 4.14Å; F50-D123 HydrophobicContact CE2-CB 3.94Å; F50-A125 VanDerWaalsContact CD1-CA 3.43Å; F50-A125 HydrophobicContact CD1-CB 3.78Å; F50-A125 HydrophobicContact CE1-CB 3.66Å | ||
| 51 | P | 90.7 | Very high | 91.4 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -59.6 | -37.5 | -174.6 | 19.1 | -29.1 | 0 | 0 | 0 | 113.3 | P48 S49 C53 K54 G55 L56 S57 K58 | P48-P51 HydrophobicContact CB-CB 4.46Å; P48-P51 HydrophobicContact CG-CB 3.75Å; P48-P51 HydrophobicContact CG-CG 4.48Å; S49-P51 VanDerWaalsContact C-CD 3.48Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-C53 PolarHBondContact O-N 3.07Å; P51-K54 PolarHBondContact O-N 3.17Å; P51-G55 PolarHBondContact O-N 2.95Å; P51-L56 CarbonylContact C-O 3.56Å; P51-L56 HydrophobicContact CB-CB 4.16Å; P51-L56 WeakPolarHBondContact CB-O 3.3Å; P51-L56 WeakPolarHBondContact O-CB 3.03Å; P51-L56 PolarHBondContact O-N 2.88Å; P51-S57 WeakPolarHBondContact CB-O 3.1Å; P51-K58 HydrophobicContact CG-CG 4.06Å |
| 52 | A | 89.9 | Confident | 91.4 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -60 | -34.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F50 K54 G55 | F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.09Å; A52-K54 PolarHBondContact O-N 3.38Å; A52-G55 PolarHBondContact O-N 2.78Å |
| 53 | C | 86.9 | Confident | 91.5 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -70.1 | -14.9 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | F50 P51 C127 | F50-C53 HydrophobicContact CB-CB 4.46Å; F50-C53 PolarHBondContact O-N 3.11Å; P51-C53 PolarHBondContact O-N 3.07Å; C53-C127 WeakPolarHBondContact CA-SG 3.47Å; C53-C127 HydrophobicContact CB-CB 3.69Å; C53-C127 WeakPolarHBondContact CB-SG 3.26Å; C53-C127 PolarHBondContact N-SG 3.45Å; C53-C127 WeakPolarHBondContact SG-CA 3.28Å; C53-C127 WeakPolarHBondContact SG-CB 3.41Å; C53-C127 CovalentContact SG-SG 2.04Å; C53-C127 PolarHBondContact SG-SG 3.44Å |
| 54 | K | 84.6 | Confident | 91.5 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -106.4 | 7.1 | 174.7 | -63.2 | -70.4 | -175.5 | 177.5 | 0 | 112.2 | P51 A52 L56 A98 G99 | P51-K54 PolarHBondContact O-N 3.17Å; A52-K54 PolarHBondContact O-N 3.38Å; K54-L56 HydrophobicContact CB-CD1 3.75Å; K54-L56 HydrophobicContact CB-CG 3.79Å; K54-L56 PolarHBondContact O-N 2.83Å; K54-A98 PolarHBondContact NZ-O 3.27Å; K54-G99 VanDerWaalsContact CE-CA 3.47Å; K54-G99 WeakPolarHBondContact CE-O 3.06Å |
| 55 | G | 87.9 | Confident | 91.3 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 76% | 0.763 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 24.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P51 A52 | P51-G55 PolarHBondContact O-N 2.95Å; A52-G55 PolarHBondContact O-N 2.78Å |
| 56 | L | 87.4 | Confident | 90.8 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.314 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -103.1 | 151 | -176.6 | -57.4 | 174.7 | 0 | 0 | 0 | 111.5 | W46 P48 P51 K54 | W46-L56 HydrophobicContact CH2-CD1 4.38Å; W46-L56 HydrophobicContact CZ3-CD1 4.14Å; P48-L56 HydrophobicContact CG-CD1 4.48Å; P51-L56 CarbonylContact C-O 3.56Å; P51-L56 HydrophobicContact CB-CB 4.16Å; P51-L56 WeakPolarHBondContact CB-O 3.3Å; P51-L56 WeakPolarHBondContact O-CB 3.03Å; P51-L56 PolarHBondContact O-N 2.88Å; K54-L56 HydrophobicContact CB-CD1 3.75Å; K54-L56 HydrophobicContact CB-CG 3.79Å; K54-L56 PolarHBondContact O-N 2.83Å |
| 57 | S | 89.3 | Confident | 89.9 | Confident | 86 Ų | 86 | 62 Ų | 62 | 60% | 0.601 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 163.3 | 169.1 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | P51 R61 | P51-S57 WeakPolarHBondContact CB-O 3.1Å; S57-R61 PolarHBondContact O-NH1 2.9Å; S57-R61 PolarHBondContact O-NH2 2.84Å; S57-R61 PolarHBondContact OG-NH1 2.85Å |
| 58 | K | 89.8 | Confident | 88.4 | Confident | 194 Ų | 194 | 67.4 Ų | 67.4 | 84% | 0.843 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -67.1 | 144.6 | 170.6 | -68.4 | -177.8 | -179.7 | 179.6 | 0 | 110.6 | P51 | P51-K58 HydrophobicContact CG-CG 4.06Š|
| 59 | G | 91.1 | Very high | 86.8 | Confident | 41 Ų | 41 | 72 Ų | 72 | 42% | 0.423 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 139.5 | 172.9 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 60 | R | 93.2 | Very high | 85.2 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | trans | -84.6 | 140.1 | 176.3 | -59.9 | 179.2 | -178.6 | -164 | -3.9 | 109.8 | A47 F105 E113 | A47-R60 HydrophobicContact CB-CG 4.26Å; R60-F105 HydrophobicContact CG-CD2 4.28Å; R60-F105 HydrophobicContact CG-CE2 4.01Å; R60-F105 VanDerWaalsContact NH2-CE1 3.27Å; R60-E113 IonicContact CZ-OE1 3.64Å; R60-E113 IonicContact CZ-OE2 3.7Å; R60-E113 IonicContact NH1-OE1 3.82Å; R60-E113 PolarHBondContact NH1-OE1 2.89Å; R60-E113 IonicContact NH1-OE2 3.28Å; R60-E113 PolarHBondContact NH1-OE2 2.77Å; R60-E113 IonicContact NH2-OE1 3.89Å; R60-E113 PolarHBondContact NH2-OE1 3.37Å | ||
| 61 | R | 92.2 | Very high | 83.9 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 15% | 0.151 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133 | 178.4 | -57.5 | 176.3 | -134.2 | -77 | -13.2 | 109.8 | A45 W46 S57 I63 | A45-R61 CarbonylContact C-O 3.51Å; A45-R61 WeakPolarHBondContact CA-O 3.49Å; A45-R61 WeakPolarHBondContact CB-O 3.12Å; W46-R61 PolarHBondContact N-O 3.22Å; W46-R61 PolarHBondContact O-N 3.21Å; S57-R61 PolarHBondContact O-NH1 2.9Å; S57-R61 PolarHBondContact O-NH2 2.84Å; S57-R61 PolarHBondContact OG-NH1 2.85Å; R61-I63 PolarHBondContact O-N 2.03Å |
| 62 | P | 91.9 | Very high | 82.9 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 40% | 0.403 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 133.6 | 174.2 | 28.1 | -32.6 | 0 | 0 | 0 | 109.6 | W65 | P62-W65 HydrophobicContact CB-CZ2 3.71Å; P62-W65 HydrophobicContact CG-CZ2 4.21Å |
| 63 | I | 93.6 | Very high | 82.1 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -28 | 179.2 | 62.3 | 169.6 | 0 | 0 | 0 | 112.8 | W44 W46 R61 V74 L75 F78 L82 F104 | W44-I63 HydrophobicContact CB-CD1 3.93Å; W44-I63 HydrophobicContact CB-CG1 3.59Å; W44-I63 WeakPolarHBondContact O-CG1 3.44Å; W44-I63 PolarHBondContact O-N 2.79Å; W46-I63 HydrophobicContact CB-CD1 4.36Å; W46-I63 HydrophobicContact CB-CG2 3.55Å; R61-I63 PolarHBondContact O-N 2.03Å; I63-V74 CarbonylContact O-C 3.55Å; I63-V74 WeakPolarHBondContact O-CA 3.4Å; I63-L75 HydrophobicContact CG2-CD2 4.29Å; I63-L75 PolarHBondContact O-N 2.74Å; I63-F78 HydrophobicContact CB-CD2 4.03Å; I63-F78 HydrophobicContact CB-CE2 4.32Å; I63-F78 HydrophobicContact CG2-CD2 3.7Å; I63-F78 HydrophobicContact CG2-CE2 3.56Å; I63-L82 HydrophobicContact CD1-CD2 4.22Å; I63-F104 HydrophobicContact CD1-CD1 3.75Å; I63-F104 HydrophobicContact CD1-CE1 3.83Å |
| 64 | L | 91.9 | Very high | 81.9 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.026 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 136 | -177.1 | -165.6 | 72.6 | 0 | 0 | 0 | 109.9 | R43 W44 P72 T73 V74 I89 L92 | R43-L64 CarbonylContact C-O 3.58Å; R43-L64 VanDerWaalsContact CA-O 3.26Å; R43-L64 WeakPolarHBondContact CA-O 3.34Å; W44-L64 HydrophobicContact CB-CB 4.09Å; W44-L64 PolarHBondContact N-O 3.27Å; W44-L64 PolarHBondContact O-N 2.98Å; L64-P72 HydrophobicContact CD1-CB 3.66Å; L64-P72 HydrophobicContact CD1-CG 4.01Å; L64-P72 HydrophobicContact CG-CB 4.07Å; L64-T73 WeakPolarHBondContact CA-O 3.45Å; L64-V74 HydrophobicContact CD1-CB 4.39Å; L64-V74 HydrophobicContact CD1-CG2 3.6Å; L64-I89 HydrophobicContact CD2-CB 4.01Å; L64-I89 HydrophobicContact CD2-CG2 3.56Å; L64-I89 HydrophobicContact CG-CG2 4.2Å; L64-L92 HydrophobicContact CD2-CD1 3.81Å; L64-L92 HydrophobicContact CD2-CD2 3.58Å; L64-L92 HydrophobicContact CD2-CG 4.37Å |
| 65 | W | 88.8 | Confident | 81.8 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.6 | 171.1 | -62.8 | 92.3 | 0 | 0 | 0 | 110.3 | R43 P62 S67 P72 T73 | R43-W65 HydrophobicContact CB-CD2 4.1Å; R43-W65 HydrophobicContact CB-CE3 3.6Å; R43-W65 HydrophobicContact CB-CZ3 3.86Å; R43-W65 VanDerWaalsContact CD-CZ3 3.43Å; R43-W65 HydrophobicContact CG-CE3 4.46Å; R43-W65 HydrophobicContact CG-CZ3 4.23Å; P62-W65 HydrophobicContact CB-CZ2 3.71Å; P62-W65 HydrophobicContact CG-CZ2 4.21Å; W65-S67 PolarHBondContact O-N 3.48Å; W65-P72 WeakPolarHBondContact O-CA 3.38Å; W65-P72 WeakPolarHBondContact O-CB 3.23Å; W65-T73 PolarHBondContact N-O 3.28Å |
| 66 | A | 85.1 | Confident | 81.6 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | trans | -65.7 | 119.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | T42 I89 | T42-A66 PolarHBondContact O-N 3.4Å; A66-I89 HydrophobicContact CB-CD1 3.78Å; A66-I89 HydrophobicContact CB-CG1 4.1Å | ||
| 67 | S | 77.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | trans | -95.5 | 135.2 | 172.7 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | W65 S69 T71 | W65-S67 PolarHBondContact O-N 3.48Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-OG 2.85Å; S67-T71 WeakPolarHBondContact CB-O 3.42Å; S67-T71 PolarHBondContact OG-O 2.88Å | ||
| 68 | S | 65.1 | Low | 81.8 | Confident | 133 Ų | 133 | 76.7 Ų | 76.7 | 93% | 0.93 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -78.5 | -16.8 | 172.9 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 69 | S | 60.6 | Low | 81.8 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 78% | 0.776 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -113 | 11.6 | -170.9 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | S67 | S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 2.83Å; S67-S69 PolarHBondContact OG-OG 2.85Å |
| 70 | G | 60.2 | Low | 81.8 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 66% | 0.66 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 111 | 1.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 71 | T | 64 | Low | 81.8 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | trans | -143.8 | 115.9 | 168.5 | -41.3 | 0 | 0 | 0 | 0 | 111.2 | S67 | S67-T71 WeakPolarHBondContact CB-O 3.42Å; S67-T71 PolarHBondContact OG-O 2.88Å | ||
| 72 | P | 69.4 | Low | 81.9 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 135 | -179.9 | 31 | -34.2 | 0 | 0 | 0 | 110.7 | L64 W65 V74 I89 | L64-P72 HydrophobicContact CD1-CB 3.66Å; L64-P72 HydrophobicContact CD1-CG 4.01Å; L64-P72 HydrophobicContact CG-CB 4.07Å; W65-P72 WeakPolarHBondContact O-CA 3.38Å; W65-P72 WeakPolarHBondContact O-CB 3.23Å; P72-V74 PolarHBondContact O-N 3.36Å; P72-I89 HydrophobicContact CB-CG2 4.47Å |
| 73 | T | 74.9 | Confident | 81.9 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 64% | 0.638 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 119.4 | 179.6 | -51 | 0 | 0 | 0 | 0 | 110.3 | L64 W65 | L64-T73 WeakPolarHBondContact CA-O 3.45Å; W65-T73 PolarHBondContact N-O 3.28Å |
| 74 | V | 81.3 | Confident | 81.7 | Confident | 50 Ų | 50 | 74 Ų | 74 | 30% | 0.303 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -101.5 | 137.2 | -179.5 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | I63 L64 P72 F78 L82 | I63-V74 CarbonylContact O-C 3.55Å; I63-V74 WeakPolarHBondContact O-CA 3.4Å; L64-V74 HydrophobicContact CD1-CB 4.39Å; L64-V74 HydrophobicContact CD1-CG2 3.6Å; P72-V74 PolarHBondContact O-N 3.36Å; V74-F78 HydrophobicContact CG1-CB 4.03Å; V74-L82 HydrophobicContact CG1-CB 4.47Å; V74-L82 HydrophobicContact CG1-CD2 4.28Å |
| 75 | L | 82.1 | Confident | 81.7 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -64 | 139.7 | 171.2 | -174 | 72.2 | 0 | 0 | 0 | 110.9 | I63 H77 F78 S79 | I63-L75 HydrophobicContact CG2-CD2 4.29Å; I63-L75 PolarHBondContact O-N 2.74Å; L75-H77 HydrophobicContact CD2-CB 4.41Å; L75-H77 PolarHBondContact O-N 2.83Å; L75-F78 PolarHBondContact O-N 2.75Å; L75-S79 PolarHBondContact O-N 2.68Å |
| 76 | Q | 83.9 | Confident | 81.6 | Confident | 178 Ų | 178 | 72.9 Ų | 72.9 | 83% | 0.832 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -49.4 | -36.8 | -175.6 | -170.9 | 173.5 | -1 | 0 | 0 | 114.3 | F78 S79 | Q76-F78 PolarHBondContact O-N 3.06Å; Q76-S79 WeakPolarHBondContact O-CB 3.38Å; Q76-S79 PolarHBondContact O-N 3.46Å |
| 77 | H | 89.3 | Confident | 81.4 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -58 | -31.2 | 178.3 | -177.5 | 84.1 | 0 | 0 | 0 | 114.1 | W46 L75 R81 D100 | W46-H77 AromaticContact CH2-NE2 3.94Å; L75-H77 HydrophobicContact CD2-CB 4.41Å; L75-H77 PolarHBondContact O-N 2.83Å; H77-R81 PolarHBondContact O-NH2 2.93Å; H77-D100 IonicContact CD2-OD1 3.24Å; H77-D100 IonicContact CE1-OD1 2.88Å; H77-D100 IonicContact NE2-OD1 3.5Å; H77-D100 PolarHBondContact NE2-OD1 2.82Å |
| 78 | F | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -109.1 | 3.8 | -178.1 | -65.8 | -68.9 | 0 | 0 | 0 | 113.3 | W46 I63 V74 L75 Q76 G80 R81 L82 L94 D100 F104 | W46-F78 HydrophobicContact CB-CE2 4.22Å; W46-F78 HydrophobicContact CB-CZ 4.49Å; W46-F78 AromaticContact CD2-CE2 3.88Å; W46-F78 HydrophobicContact CD2-CE2 3.88Å; W46-F78 AromaticContact CD2-CZ 3.77Å; W46-F78 HydrophobicContact CD2-CZ 3.77Å; W46-F78 AromaticContact CE2-CZ 3.99Å; W46-F78 AromaticContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CE2 3.79Å; W46-F78 HydrophobicContact CE3-CZ 4.04Å; W46-F78 HydrophobicContact CG-CE2 4.11Å; W46-F78 AromaticContact CG-CZ 4Å; W46-F78 HydrophobicContact CG-CZ 4Å; W46-F78 HydrophobicContact CZ2-CZ 4.42Å; W46-F78 HydrophobicContact CZ3-CE2 4.35Å; W46-F78 HydrophobicContact CZ3-CZ 4.47Å; I63-F78 HydrophobicContact CB-CD2 4.03Å; I63-F78 HydrophobicContact CB-CE2 4.32Å; I63-F78 HydrophobicContact CG2-CD2 3.7Å; I63-F78 HydrophobicContact CG2-CE2 3.56Å; V74-F78 HydrophobicContact CG1-CB 4.03Å; L75-F78 PolarHBondContact O-N 2.75Å; Q76-F78 PolarHBondContact O-N 3.06Å; F78-G80 PolarHBondContact O-N 2.78Å; F78-R81 PolarHBondContact O-N 2.72Å; F78-R81 VanDerWaalsContact O-N 3.09Å; F78-L82 HydrophobicContact CB-CB 4.02Å; F78-L82 HydrophobicContact CB-CD2 4.4Å; F78-L82 PolarHBondContact O-N 2.89Å; F78-L82 VanDerWaalsContact O-N 3.11Å; F78-L94 HydrophobicContact CD1-CD1 3.67Å; F78-L94 HydrophobicContact CD1-CD2 4.47Å; F78-L94 HydrophobicContact CE1-CD1 4.13Å; F78-L94 HydrophobicContact CE1-CD2 4.12Å; F78-D100 HydrophobicContact CE1-CB 4.48Å; F78-F104 HydrophobicContact CE1-CE1 4.36Å; F78-F104 HydrophobicContact CE1-CZ 4.22Å; F78-F104 HydrophobicContact CZ-CE1 4.05Å; F78-F104 HydrophobicContact CZ-CZ 4Å |
| 79 | S | 89.1 | Confident | 83 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 56% | 0.559 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 132.1 | -178.3 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | L75 Q76 R81 | L75-S79 PolarHBondContact O-N 2.68Å; Q76-S79 WeakPolarHBondContact O-CB 3.38Å; Q76-S79 PolarHBondContact O-N 3.46Å; S79-R81 PolarHBondContact O-N 3.33Å; S79-R81 VanDerWaalsContact O-N 3.17Å |
| 80 | G | 90.4 | Very high | 84.4 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 87% | 0.866 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -6.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | F78 | F78-G80 PolarHBondContact O-N 2.78Š|
| 81 | R | 94.9 | Very high | 86 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 18% | 0.181 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -22.8 | -179.3 | -60 | -170.6 | -58.6 | 120.1 | -8.8 | 113.9 | H77 F78 S79 L94 L95 S97 D100 | H77-R81 PolarHBondContact O-NH2 2.93Å; F78-R81 PolarHBondContact O-N 2.72Å; F78-R81 VanDerWaalsContact O-N 3.09Å; S79-R81 PolarHBondContact O-N 3.33Å; S79-R81 VanDerWaalsContact O-N 3.17Å; R81-L94 HydrophobicContact CB-CD1 4.39Å; R81-L95 HydrophobicContact CB-CB 4.19Å; R81-L95 PolarHBondContact NH1-O 3.13Å; R81-L95 PolarHBondContact O-N 3.31Å; R81-S97 VanDerWaalsContact CZ-OG 3.31Å; R81-S97 PolarHBondContact NH1-OG 3.11Å; R81-S97 PolarHBondContact NH2-OG 3.29Å; R81-D100 IonicContact CZ-OD1 3.7Å; R81-D100 IonicContact CZ-OD2 2.74Å; R81-D100 IonicContact NH1-OD1 2.68Å; R81-D100 IonicContact NH1-OD2 2.83Å; R81-D100 PolarHBondContact NH1-OD2 2.74Å; R81-D100 IonicContact NH2-OD1 3.29Å; R81-D100 PolarHBondContact NH2-OD1 3.04Å; R81-D100 VanDerWaalsContact NH2-OD1 3.11Å; R81-D100 IonicContact NH2-OD2 3.64Å; R81-D100 PolarHBondContact NH2-OD2 2.93Å |
| 82 | L | 93.8 | Very high | 87.4 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 124.8 | 177 | -172.3 | 72 | 0 | 0 | 0 | 109.9 | I63 V74 F78 L92 E93 L94 | I63-L82 HydrophobicContact CD1-CD2 4.22Å; V74-L82 HydrophobicContact CG1-CB 4.47Å; V74-L82 HydrophobicContact CG1-CD2 4.28Å; F78-L82 HydrophobicContact CB-CB 4.02Å; F78-L82 HydrophobicContact CB-CD2 4.4Å; F78-L82 PolarHBondContact O-N 2.89Å; F78-L82 VanDerWaalsContact O-N 3.11Å; L82-L92 HydrophobicContact CD1-CB 4.04Å; L82-L92 HydrophobicContact CD1-CD1 4.09Å; L82-L92 HydrophobicContact CD2-CD1 4.25Å; L82-L92 HydrophobicContact CG-CD1 4.41Å; L82-E93 CarbonylContact C-O 3.41Å; L82-E93 WeakPolarHBondContact CA-O 3.41Å; L82-L94 HydrophobicContact CB-CD1 4.3Å; L82-L94 HydrophobicContact CD1-CB 3.91Å; L82-L94 HydrophobicContact CD1-CD1 4.06Å; L82-L94 HydrophobicContact CD1-CG 4.47Å |
| 83 | R | 91.4 | Very high | 88.6 | Confident | 146 Ų | 146 | 68.7 Ų | 68.7 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139.6 | -178.6 | -168.8 | 176.3 | 86.9 | 116.6 | -2.1 | 110.1 | L85 L92 E93 | R83-L85 VanDerWaalsContact NH2-CD2 3.25Å; R83-L92 CarbonylContact O-C 3.59Å; R83-L92 VanDerWaalsContact O-CA 3.32Å; R83-L92 WeakPolarHBondContact O-CA 3.3Å; R83-E93 PolarHBondContact N-O 3.29Å; R83-E93 IonicContact NE-OE2 3.87Å; R83-E93 PolarHBondContact O-N 3.24Å |
| 84 | S | 90.5 | Very high | 89.6 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.9 | 167.2 | -167.2 | 0 | 0 | 0 | 0 | 110.6 | D86 G88 R91 | S84-D86 PolarHBondContact OG-O 3.13Å; S84-G88 WeakPolarHBondContact CB-O 3.41Å; S84-G88 PolarHBondContact OG-O 3.07Å; S84-R91 PolarHBondContact OG-O 3.03Å |
| 85 | L | 90.7 | Very high | 90.4 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -96.9 | -6.9 | 177.9 | -66.3 | -177.9 | 0 | 0 | 0 | 113 | N32 R83 R91 E93 | N32-L85 WeakPolarHBondContact OD1-CD1 3.14Å; R83-L85 VanDerWaalsContact NH2-CD2 3.25Å; L85-R91 HydrophobicContact CB-CB 4.12Å; L85-R91 PolarHBondContact N-O 2.9Å; L85-E93 HydrophobicContact CD1-CB 4.01Å; L85-E93 HydrophobicContact CD2-CB 3.82Å; L85-E93 HydrophobicContact CG-CB 3.86Å |
| 86 | D | 86.7 | Confident | 91 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -127.8 | 178.6 | 177.1 | 55.9 | 45.5 | 0 | 0 | 0 | 112.2 | S84 G88 I89 K90 R91 | S84-D86 PolarHBondContact OG-O 3.13Å; D86-G88 PolarHBondContact O-N 3.4Å; D86-G88 VanDerWaalsContact O-N 3.14Å; D86-G88 VanDerWaalsContact OD1-CA 3.32Å; D86-G88 WeakPolarHBondContact OD1-CA 3.42Å; D86-G88 PolarHBondContact OD1-N 2.91Å; D86-I89 PolarHBondContact OD1-N 2.9Å; D86-K90 PolarHBondContact OD1-N 2.75Å; D86-K90 VanDerWaalsContact OD1-N 3.15Å; D86-K90 WeakPolarHBondContact OD2-CA 3.49Å; D86-K90 VanDerWaalsContact OD2-CB 3.25Å; D86-K90 WeakPolarHBondContact OD2-CB 3.26Å; D86-K90 PolarHBondContact OD2-N 3.05Å; D86-R91 WeakPolarHBondContact OD2-CB 3.48Å; D86-R91 PolarHBondContact OD2-N 3.37Å; D86-R91 IonicContact OD2-NE 3.11Å |
| 87 | T | 80.4 | Confident | 91.5 | Very high | 163 Ų | 163 | 53.8 Ų | 53.8 | 100% | 1 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -66.7 | -5.9 | 177 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 88 | G | 85.8 | Confident | 91.7 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -127.7 | -133.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S84 D86 | S84-G88 WeakPolarHBondContact CB-O 3.41Å; S84-G88 PolarHBondContact OG-O 3.07Å; D86-G88 PolarHBondContact O-N 3.4Å; D86-G88 VanDerWaalsContact O-N 3.14Å; D86-G88 VanDerWaalsContact OD1-CA 3.32Å; D86-G88 WeakPolarHBondContact OD1-CA 3.42Å; D86-G88 PolarHBondContact OD1-N 2.91Å |
| 89 | I | 90.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -129.5 | 25.8 | 177.1 | 60.5 | 162.9 | 0 | 0 | 0 | 110.9 | C35 P41 W44 L64 A66 P72 D86 L92 | C35-I89 PolarHBondContact SG-O 3.27Å; P41-I89 HydrophobicContact CB-CD1 4.12Å; P41-I89 HydrophobicContact CB-CG1 3.91Å; P41-I89 HydrophobicContact CG-CG1 3.87Å; W44-I89 PolarHBondContact NE1-O 2.63Å; L64-I89 HydrophobicContact CD2-CB 4.01Å; L64-I89 HydrophobicContact CD2-CG2 3.56Å; L64-I89 HydrophobicContact CG-CG2 4.2Å; A66-I89 HydrophobicContact CB-CD1 3.78Å; A66-I89 HydrophobicContact CB-CG1 4.1Å; P72-I89 HydrophobicContact CB-CG2 4.47Å; D86-I89 PolarHBondContact OD1-N 2.9Å; I89-L92 HydrophobicContact CB-CD2 4.42Å |
| 90 | K | 91 | Very high | 91.8 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -79.6 | -31.4 | -173.9 | -168.4 | -179.7 | -175.2 | 169.6 | 0 | 111.3 | C35 P41 D86 | C35-K90 HydrophobicContact CB-CG 3.91Å; C35-K90 WeakPolarHBondContact CB-O 3.24Å; C35-K90 PolarHBondContact N-O 2.86Å; P41-K90 HydrophobicContact CG-CB 4.12Å; D86-K90 PolarHBondContact OD1-N 2.75Å; D86-K90 VanDerWaalsContact OD1-N 3.15Å; D86-K90 WeakPolarHBondContact OD2-CA 3.49Å; D86-K90 VanDerWaalsContact OD2-CB 3.25Å; D86-K90 WeakPolarHBondContact OD2-CB 3.26Å; D86-K90 PolarHBondContact OD2-N 3.05Å |
| 91 | R | 92.4 | Very high | 92 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 53% | 0.525 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.9 | 174.5 | -68.2 | 177.7 | -71.3 | 169.4 | -2.9 | 110.2 | L33 S84 L85 D86 | L33-R91 CarbonylContact O-C 3.5Å; L33-R91 VanDerWaalsContact O-CA 3.3Å; L33-R91 WeakPolarHBondContact O-CA 3.44Å; S84-R91 PolarHBondContact OG-O 3.03Å; L85-R91 HydrophobicContact CB-CB 4.12Å; L85-R91 PolarHBondContact N-O 2.9Å; D86-R91 WeakPolarHBondContact OD2-CB 3.48Å; D86-R91 PolarHBondContact OD2-N 3.37Å; D86-R91 IonicContact OD2-NE 3.11Å |
| 92 | L | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.7 | 176.8 | -52.2 | -179.1 | 0 | 0 | 0 | 110 | N32 L33 W44 L64 L82 R83 I89 | N32-L92 CarbonylContact C-O 3.52Å; N32-L92 WeakPolarHBondContact CA-O 3.13Å; L33-L92 HydrophobicContact CB-CB 4.28Å; L33-L92 PolarHBondContact N-O 3.29Å; L33-L92 PolarHBondContact O-N 2.68Å; W44-L92 HydrophobicContact CB-CD1 4.46Å; W44-L92 HydrophobicContact CD2-CD1 3.72Å; W44-L92 HydrophobicContact CG-CD1 3.68Å; W44-L92 HydrophobicContact CZ2-CD1 4.13Å; W44-L92 HydrophobicContact CZ2-CG 4.16Å; L64-L92 HydrophobicContact CD2-CD1 3.81Å; L64-L92 HydrophobicContact CD2-CD2 3.58Å; L64-L92 HydrophobicContact CD2-CG 4.37Å; L82-L92 HydrophobicContact CD1-CB 4.04Å; L82-L92 HydrophobicContact CD1-CD1 4.09Å; L82-L92 HydrophobicContact CD2-CD1 4.25Å; L82-L92 HydrophobicContact CG-CD1 4.41Å; R83-L92 CarbonylContact O-C 3.59Å; R83-L92 VanDerWaalsContact O-CA 3.32Å; R83-L92 WeakPolarHBondContact O-CA 3.3Å; I89-L92 HydrophobicContact CB-CD2 4.42Å |
| 93 | E | 95.3 | Very high | 92.2 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.2 | 166.6 | -176.4 | -176.8 | -98.3 | 0 | 0 | 108.2 | R30 V31 L82 R83 L85 | R30-E93 HydrophobicContact CB-CG 4.27Å; R30-E93 IonicContact CZ-OE2 2.74Å; R30-E93 IonicContact NH1-OE2 3.8Å; R30-E93 PolarHBondContact NH1-OE2 3.49Å; V31-E93 WeakPolarHBondContact O-CA 3.44Å; L82-E93 CarbonylContact C-O 3.41Å; L82-E93 WeakPolarHBondContact CA-O 3.41Å; R83-E93 PolarHBondContact N-O 3.29Å; R83-E93 IonicContact NE-OE2 3.87Å; R83-E93 PolarHBondContact O-N 3.24Å; L85-E93 HydrophobicContact CD1-CB 4.01Å; L85-E93 HydrophobicContact CD2-CB 3.82Å; L85-E93 HydrophobicContact CG-CB 3.86Å |
| 94 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.7 | 176.3 | 175.6 | 61.7 | 0 | 0 | 0 | 109.6 | R30 V31 L33 F78 R81 L82 L96 F104 I118 | R30-L94 WeakPolarHBondContact CA-O 3.26Å; V31-L94 HydrophobicContact CG2-CB 4.15Å; V31-L94 PolarHBondContact N-O 3.24Å; V31-L94 PolarHBondContact O-N 2.88Å; L33-L94 HydrophobicContact CD1-CB 4.48Å; F78-L94 HydrophobicContact CD1-CD1 3.67Å; F78-L94 HydrophobicContact CD1-CD2 4.47Å; F78-L94 HydrophobicContact CE1-CD1 4.13Å; F78-L94 HydrophobicContact CE1-CD2 4.12Å; R81-L94 HydrophobicContact CB-CD1 4.39Å; L82-L94 HydrophobicContact CB-CD1 4.3Å; L82-L94 HydrophobicContact CD1-CB 3.91Å; L82-L94 HydrophobicContact CD1-CD1 4.06Å; L82-L94 HydrophobicContact CD1-CG 4.47Å; L94-L96 HydrophobicContact CD2-CD2 4.05Å; L94-L96 HydrophobicContact CG-CD2 4.3Å; L94-L96 PolarHBondContact O-N 2.8Å; L94-F104 HydrophobicContact CD2-CE1 4.07Å; L94-F104 HydrophobicContact CD2-CZ 3.74Å; L94-I118 HydrophobicContact CD2-CD1 4.21Å |
| 95 | L | 97 | Very high | 92.6 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 110.9 | 164.5 | -178.6 | 69.6 | 0 | 0 | 0 | 109.3 | G28 R30 R81 | G28-L95 WeakPolarHBondContact O-CD1 3.44Å; R30-L95 HydrophobicContact CG-CD1 3.91Å; R81-L95 HydrophobicContact CB-CB 4.19Å; R81-L95 PolarHBondContact NH1-O 3.13Å; R81-L95 PolarHBondContact O-N 3.31Å |
| 96 | L | 96.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -66.5 | 141.8 | -175.4 | -67.1 | -176 | 0 | 0 | 0 | 112.4 | N26 G28 D29 V31 L94 I118 V120 | N26-L96 WeakPolarHBondContact O-CB 3.45Å; G28-L96 PolarHBondContact N-O 2.69Å; D29-L96 HydrophobicContact CB-CD1 4.34Å; D29-L96 PolarHBondContact O-N 3.28Å; V31-L96 HydrophobicContact CG1-CD1 3.65Å; V31-L96 HydrophobicContact CG1-CG 4.04Å; V31-L96 HydrophobicContact CG2-CD1 4.31Å; V31-L96 HydrophobicContact CG2-CD2 3.65Å; V31-L96 HydrophobicContact CG2-CG 3.92Å; L94-L96 HydrophobicContact CD2-CD2 4.05Å; L94-L96 HydrophobicContact CG-CD2 4.3Å; L94-L96 PolarHBondContact O-N 2.8Å; L96-I118 HydrophobicContact CD1-CG2 4.45Å; L96-I118 HydrophobicContact CD2-CD1 4.38Å; L96-I118 HydrophobicContact CD2-CG2 3.84Å; L96-V120 HydrophobicContact CD1-CG2 4.37Å; L96-V120 HydrophobicContact CD2-CG2 4.19Å | ||
| 97 | S | 94.6 | Very high | 93 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | trans | -135.1 | 162.4 | 171.1 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | R81 G99 D100 | R81-S97 VanDerWaalsContact CZ-OG 3.31Å; R81-S97 PolarHBondContact NH1-OG 3.11Å; R81-S97 PolarHBondContact NH2-OG 3.29Å; S97-G99 PolarHBondContact O-N 2.81Å; S97-D100 WeakPolarHBondContact CA-OD2 3.5Å; S97-D100 WeakPolarHBondContact CB-OD2 3.43Å; S97-D100 PolarHBondContact N-OD2 3.42Å; S97-D100 WeakPolarHBondContact O-CB 3.48Å; S97-D100 PolarHBondContact O-N 3.29Å; S97-D100 VanDerWaalsContact OG-CG 3.22Å; S97-D100 PolarHBondContact OG-OD1 2.73Å; S97-D100 PolarHBondContact OG-OD2 3.28Å | ||
| 98 | A | 92.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 46% | 0.463 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 127.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K54 | K54-A98 PolarHBondContact NZ-O 3.27Š|
| 99 | G | 90.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 13.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | K54 S97 S101 D123 | K54-G99 VanDerWaalsContact CE-CA 3.47Å; K54-G99 WeakPolarHBondContact CE-O 3.06Å; S97-G99 PolarHBondContact O-N 2.81Å; G99-S101 VanDerWaalsContact C-N 3.27Å; G99-D123 WeakPolarHBondContact CA-OD1 3.47Å; G99-D123 WeakPolarHBondContact CA-OD2 3.07Å; G99-D123 PolarHBondContact N-OD1 2.84Å; G99-D123 PolarHBondContact N-OD2 3.28Å |
| 100 | D | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -80.9 | -9.2 | 168.3 | -68.4 | -29 | 0 | 0 | 0 | 112.7 | W46 H77 F78 R81 S97 G102 V120 | W46-D100 PolarHBondContact NE1-O 2.95Å; W46-D100 VanDerWaalsContact NE1-O 3.13Å; H77-D100 IonicContact CD2-OD1 3.24Å; H77-D100 IonicContact CE1-OD1 2.88Å; H77-D100 IonicContact NE2-OD1 3.5Å; H77-D100 PolarHBondContact NE2-OD1 2.82Å; F78-D100 HydrophobicContact CE1-CB 4.48Å; R81-D100 IonicContact CZ-OD1 3.7Å; R81-D100 IonicContact CZ-OD2 2.74Å; R81-D100 IonicContact NH1-OD1 2.68Å; R81-D100 IonicContact NH1-OD2 2.83Å; R81-D100 PolarHBondContact NH1-OD2 2.74Å; R81-D100 IonicContact NH2-OD1 3.29Å; R81-D100 PolarHBondContact NH2-OD1 3.04Å; R81-D100 VanDerWaalsContact NH2-OD1 3.11Å; R81-D100 IonicContact NH2-OD2 3.64Å; R81-D100 PolarHBondContact NH2-OD2 2.93Å; S97-D100 WeakPolarHBondContact CA-OD2 3.5Å; S97-D100 WeakPolarHBondContact CB-OD2 3.43Å; S97-D100 PolarHBondContact N-OD2 3.42Å; S97-D100 WeakPolarHBondContact O-CB 3.48Å; S97-D100 PolarHBondContact O-N 3.29Å; S97-D100 VanDerWaalsContact OG-CG 3.22Å; S97-D100 PolarHBondContact OG-OD1 2.73Å; S97-D100 PolarHBondContact OG-OD2 3.28Å; D100-G102 PolarHBondContact O-N 3.18Å; D100-V120 HydrophobicContact CB-CG2 4.2Å | ||
| 101 | S | 95.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | trans | -50.8 | 128.6 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | S49 G99 I118 V120 D123 | S49-S101 PolarHBondContact N-O 2.8Å; G99-S101 VanDerWaalsContact C-N 3.27Å; S101-I118 WeakPolarHBondContact CA-O 3.13Å; S101-V120 WeakPolarHBondContact OG-CB 3.42Å; S101-V120 PolarHBondContact OG-N 3.23Å; S101-D123 WeakPolarHBondContact CB-OD2 3.36Å; S101-D123 PolarHBondContact N-OD2 3.12Å; S101-D123 VanDerWaalsContact OG-CB 3.26Å; S101-D123 WeakPolarHBondContact OG-CB 3.37Å; S101-D123 VanDerWaalsContact OG-CG 3.28Å; S101-D123 PolarHBondContact OG-OD2 3.45Å | ||
| 102 | G | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | -179.8 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | A47 S49 D100 I118 | A47-G102 CarbonylContact O-C 3.47Å; A47-G102 WeakPolarHBondContact O-CA 3.36Å; S49-G102 WeakPolarHBondContact OG-CA 3.33Å; S49-G102 PolarHBondContact OG-N 3.17Å; D100-G102 PolarHBondContact O-N 3.18Å; G102-I118 PolarHBondContact N-O 3.45Å; G102-I118 PolarHBondContact O-N 2.6Å |
| 103 | T | 96.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128 | 176 | -45.1 | 0 | 0 | 0 | 0 | 109.8 | W46 A47 F105 R115 V117 | W46-T103 CarbonylContact C-O 3.58Å; W46-T103 WeakPolarHBondContact CA-O 3.25Å; A47-T103 PolarHBondContact N-O 2.89Å; A47-T103 PolarHBondContact O-N 2.69Å; T103-F105 HydrophobicContact CG2-CD1 4.3Å; T103-F105 HydrophobicContact CG2-CD2 4.36Å; T103-F105 HydrophobicContact CG2-CE1 3.65Å; T103-F105 HydrophobicContact CG2-CE2 3.71Å; T103-F105 HydrophobicContact CG2-CZ 3.31Å; T103-F105 WeakPolarHBondContact O-CD2 3.13Å; T103-F105 VanDerWaalsContact O-CE2 3.26Å; T103-F105 WeakPolarHBondContact O-CE2 3.43Å; T103-R115 HydrophobicContact CG2-CB 4.48Å; T103-V117 HydrophobicContact CG2-CG2 3.85Å |
| 104 | F | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.8 | 172.9 | -68.5 | -102 | 0 | 0 | 0 | 109.1 | L33 W44 A45 W46 I63 F78 L94 R115 T116 I118 | L33-F104 HydrophobicContact CD1-CB 4.48Å; L33-F104 HydrophobicContact CD1-CD1 3.71Å; L33-F104 HydrophobicContact CD1-CE1 4.09Å; L33-F104 HydrophobicContact CD1-CG 4.05Å; W44-F104 HydrophobicContact CE3-CB 4.25Å; W44-F104 HydrophobicContact CZ3-CB 4.08Å; A45-F104 CarbonylContact O-C 3.6Å; A45-F104 WeakPolarHBondContact O-CA 3.47Å; W46-F104 HydrophobicContact CB-CD1 4.34Å; W46-F104 HydrophobicContact CB-CE1 4.22Å; W46-F104 AromaticContact CD1-CD2 4Å; W46-F104 AromaticContact CD1-CE1 3.84Å; W46-F104 AromaticContact CD1-CE2 3.51Å; W46-F104 AromaticContact CD1-CZ 3.43Å; W46-F104 VanDerWaalsContact CD1-CZ 3.43Å; W46-F104 HydrophobicContact CG-CE1 4.23Å; W46-F104 HydrophobicContact CG-CZ 4.18Å; W46-F104 AromaticContact NE1-CE2 3.91Å; W46-F104 AromaticContact NE1-CZ 3.88Å; I63-F104 HydrophobicContact CD1-CD1 3.75Å; I63-F104 HydrophobicContact CD1-CE1 3.83Å; F78-F104 HydrophobicContact CE1-CE1 4.36Å; F78-F104 HydrophobicContact CE1-CZ 4.22Å; F78-F104 HydrophobicContact CZ-CE1 4.05Å; F78-F104 HydrophobicContact CZ-CZ 4Å; L94-F104 HydrophobicContact CD2-CE1 4.07Å; L94-F104 HydrophobicContact CD2-CZ 3.74Å; F104-R115 WeakPolarHBondContact O-CA 3.47Å; F104-T116 PolarHBondContact N-O 3.02Å; F104-T116 PolarHBondContact O-N 2.88Å; F104-I118 HydrophobicContact CD2-CB 4.4Å; F104-I118 HydrophobicContact CD2-CD1 3.49Å; F104-I118 VanDerWaalsContact CD2-CD1 3.49Å; F104-I118 HydrophobicContact CD2-CG1 3.75Å; F104-I118 HydrophobicContact CE2-CB 4.09Å; F104-I118 HydrophobicContact CE2-CD1 3.21Å; F104-I118 HydrophobicContact CE2-CG1 3.75Å; F104-I118 HydrophobicContact CG-CD1 4.35Å; F104-I118 HydrophobicContact CZ-CD1 3.86Å |
| 105 | F | 94.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.7 | -176.1 | -57.1 | -88 | 0 | 0 | 0 | 108.8 | W44 A45 A47 R60 T103 E113 S114 R115 | W44-F105 CarbonylContact C-O 3.56Å; W44-F105 VanDerWaalsContact CA-O 3.28Å; W44-F105 WeakPolarHBondContact CA-O 3.13Å; A45-F105 HydrophobicContact CB-CB 4.35Å; A45-F105 PolarHBondContact N-O 3.26Å; A45-F105 PolarHBondContact O-N 3.36Å; A47-F105 HydrophobicContact CB-CE2 3.73Å; A47-F105 HydrophobicContact CB-CZ 4.48Å; R60-F105 HydrophobicContact CG-CD2 4.28Å; R60-F105 HydrophobicContact CG-CE2 4.01Å; R60-F105 VanDerWaalsContact NH2-CE1 3.27Å; T103-F105 HydrophobicContact CG2-CD1 4.3Å; T103-F105 HydrophobicContact CG2-CD2 4.36Å; T103-F105 HydrophobicContact CG2-CE1 3.65Å; T103-F105 HydrophobicContact CG2-CE2 3.71Å; T103-F105 HydrophobicContact CG2-CZ 3.31Å; T103-F105 WeakPolarHBondContact O-CD2 3.13Å; T103-F105 VanDerWaalsContact O-CE2 3.26Å; T103-F105 WeakPolarHBondContact O-CE2 3.43Å; F105-E113 HydrophobicContact CB-CG 4.43Å; F105-E113 HydrophobicContact CD1-CG 4.34Å; F105-E113 VanDerWaalsContact CD1-OE1 3.24Å; F105-E113 WeakPolarHBondContact CD1-OE1 3.04Å; F105-S114 WeakPolarHBondContact CA-O 3.27Å; F105-R115 HydrophobicContact CD1-CG 3.83Å; F105-R115 HydrophobicContact CE1-CG 3.99Å |
| 106 | C | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121 | 168.3 | -179.5 | 0 | 0 | 0 | 0 | 109 | C35 P41 W44 E113 S114 | C35-C106 HydrophobicContact CB-CB 3.87Å; C35-C106 WeakPolarHBondContact CB-SG 3.38Å; C35-C106 WeakPolarHBondContact SG-CB 3.07Å; C35-C106 CovalentContact SG-SG 2.03Å; C35-C106 PolarHBondContact SG-SG 2.77Å; P41-C106 VanDerWaalsContact CB-SG 3.56Å; W44-C106 HydrophobicContact CD2-CB 3.87Å; W44-C106 HydrophobicContact CE3-CB 3.88Å; W44-C106 HydrophobicContact CH2-CB 3.78Å; W44-C106 HydrophobicContact CZ2-CB 3.79Å; W44-C106 HydrophobicContact CZ3-CB 3.81Å; C106-E113 CarbonylContact O-C 3.57Å; C106-E113 VanDerWaalsContact O-CA 3.23Å; C106-E113 WeakPolarHBondContact O-CA 3Å; C106-S114 VanDerWaalsContact CB-OG 3.3Å; C106-S114 WeakPolarHBondContact CB-OG 3.43Å; C106-S114 PolarHBondContact N-O 3.37Å; C106-S114 PolarHBondContact O-N 3.23Å |
| 107 | K | 92.8 | Very high | 91.4 | Very high | 70 Ų | 70 | 48.4 Ų | 48.4 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.1 | -179.3 | -173.6 | 173.6 | -177.6 | 175.9 | 0 | 111.1 | T42 R43 | T42-K107 PolarHBondContact N-O 2.85Å; T42-K107 PolarHBondContact OG1-O 2.93Å; R43-K107 HydrophobicContact CG-CB 4.02Å; R43-K107 PolarHBondContact N-O 3.37Å; R43-K107 PolarHBondContact O-N 2.84Å |
| 108 | G | 90 | Very high | 91.5 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -176.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V38 D40 N112 | V38-G108 VanDerWaalsContact CG1-CA 3.45Å; D40-G108 VanDerWaalsContact O-CA 3.23Å; D40-G108 WeakPolarHBondContact O-CA 3.32Å; G108-N112 PolarHBondContact N-O 2.8Å |
| 109 | R | 84.2 | Confident | 91.6 | Very high | 209 Ų | 209 | 49 Ų | 49 | 79% | 0.789 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -66.8 | -38.9 | 174.6 | -70.6 | -174 | 175.3 | -167.3 | -0.6 | 113.4 | D40 T42 E111 | D40-R109 PolarHBondContact O-N 2.88Å; T42-R109 HydrophobicContact CG2-CB 4.42Å; T42-R109 HydrophobicContact CG2-CG 3.45Å; T42-R109 VanDerWaalsContact CG2-CG 3.45Å; R109-E111 PolarHBondContact O-N 3.41Å |
| 110 | Q | 78.6 | Confident | 91.9 | Very high | 160 Ų | 160 | 48.6 Ų | 48.6 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -100.4 | 51.8 | -169.7 | -66.5 | -159.6 | -17 | 0 | 0 | 114.7 | N112 | Q110-N112 PolarHBondContact O-N 2.04Å; Q110-N112 PolarHBondContact O-OD1 3.14Å; Q110-N112 VanDerWaalsContact O-OD1 3.07Å |
| 111 | E | 77.1 | Confident | 91.9 | Very high | 173 Ų | 173 | 52.3 Ų | 52.3 | 81% | 0.808 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 53.8 | -6 | -177.1 | -59.6 | -155.9 | 159.1 | 0 | 0 | 117.3 | R109 E113 | R109-E111 PolarHBondContact O-N 3.41Å; E111-E113 PolarHBondContact O-N 3.27Å |
| 112 | N | 85.1 | Confident | 91.5 | Very high | 81 Ų | 81 | 55 Ų | 55 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | trans | -64.8 | 127 | 173.8 | -59.9 | -14.6 | 0 | 0 | 0 | 108.9 | V38 G108 Q110 | V38-N112 HydrophobicContact CG2-CB 4.36Å; G108-N112 PolarHBondContact N-O 2.8Å; Q110-N112 PolarHBondContact O-N 2.04Å; Q110-N112 PolarHBondContact O-OD1 3.14Å; Q110-N112 VanDerWaalsContact O-OD1 3.07Å | ||
| 113 | E | 90.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.7 | -178.7 | -180 | 177 | 105.7 | 0 | 0 | 108.2 | N18 R60 F105 C106 E111 R115 | N18-E113 PolarHBondContact ND2-O 3.21Å; R60-E113 IonicContact CZ-OE1 3.64Å; R60-E113 IonicContact CZ-OE2 3.7Å; R60-E113 IonicContact NH1-OE1 3.82Å; R60-E113 PolarHBondContact NH1-OE1 2.89Å; R60-E113 IonicContact NH1-OE2 3.28Å; R60-E113 PolarHBondContact NH1-OE2 2.77Å; R60-E113 IonicContact NH2-OE1 3.89Å; R60-E113 PolarHBondContact NH2-OE1 3.37Å; F105-E113 HydrophobicContact CB-CG 4.43Å; F105-E113 HydrophobicContact CD1-CG 4.34Å; F105-E113 VanDerWaalsContact CD1-OE1 3.24Å; F105-E113 WeakPolarHBondContact CD1-OE1 3.04Å; C106-E113 CarbonylContact O-C 3.57Å; C106-E113 VanDerWaalsContact O-CA 3.23Å; C106-E113 WeakPolarHBondContact O-CA 3Å; E111-E113 PolarHBondContact O-N 3.27Å; E113-R115 HydrophobicContact CG-CG 4.45Å; E113-R115 IonicContact OE1-CZ 3.46Å; E113-R115 IonicContact OE1-NE 3.99Å; E113-R115 PolarHBondContact OE1-NE 2.86Å; E113-R115 IonicContact OE1-NH2 3.33Å; E113-R115 PolarHBondContact OE1-NH2 2.98Å |
| 114 | S | 92.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.6 | 165.9 | 88.6 | 0 | 0 | 0 | 0 | 109.7 | C35 I36 F105 C106 | C35-S114 WeakPolarHBondContact CA-OG 3.23Å; I36-S114 WeakPolarHBondContact O-CB 3.21Å; F105-S114 WeakPolarHBondContact CA-O 3.27Å; C106-S114 VanDerWaalsContact CB-OG 3.3Å; C106-S114 WeakPolarHBondContact CB-OG 3.43Å; C106-S114 PolarHBondContact N-O 3.37Å; C106-S114 PolarHBondContact O-N 3.23Å |
| 115 | R | 94 | Very high | 90.2 | Very high | 102 Ų | 102 | 65.8 Ų | 65.8 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.9 | -179 | -60.2 | -176 | -179.2 | 167.5 | 6.6 | 110.4 | V21 T103 F104 F105 E113 | V21-R115 PolarHBondContact N-O 3.28Å; T103-R115 HydrophobicContact CG2-CB 4.48Å; F104-R115 WeakPolarHBondContact O-CA 3.47Å; F105-R115 HydrophobicContact CD1-CG 3.83Å; F105-R115 HydrophobicContact CE1-CG 3.99Å; E113-R115 HydrophobicContact CG-CG 4.45Å; E113-R115 IonicContact OE1-CZ 3.46Å; E113-R115 IonicContact OE1-NE 3.99Å; E113-R115 PolarHBondContact OE1-NE 2.86Å; E113-R115 IonicContact OE1-NH2 3.33Å; E113-R115 PolarHBondContact OE1-NH2 2.98Å |
| 116 | T | 95.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 120.7 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 108.4 | V21 L23 L33 F104 | V21-T116 HydrophobicContact CB-CG2 4.3Å; V21-T116 HydrophobicContact CG1-CG2 4.35Å; V21-T116 CarbonylContact O-C 3.58Å; V21-T116 VanDerWaalsContact O-CA 3.27Å; V21-T116 WeakPolarHBondContact O-CA 3.39Å; V21-T116 WeakPolarHBondContact O-CG2 3.42Å; L23-T116 HydrophobicContact CD1-CG2 3.7Å; L23-T116 HydrophobicContact CG-CG2 4.02Å; L33-T116 HydrophobicContact CD2-CG2 3.97Å; F104-T116 PolarHBondContact N-O 3.02Å; F104-T116 PolarHBondContact O-N 2.88Å |
| 117 | V | 95.9 | Very high | 88.8 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.6 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | E20 V21 S22 L23 T103 Q119 | E20-V117 HydrophobicContact CG-CG2 3.85Å; E20-V117 WeakPolarHBondContact OE1-CG2 3.41Å; V21-V117 PolarHBondContact O-N 2.9Å; S22-V117 CarbonylContact C-O 3.45Å; S22-V117 WeakPolarHBondContact CA-O 3.44Å; L23-V117 PolarHBondContact N-O 3.11Å; T103-V117 HydrophobicContact CG2-CG2 3.85Å; V117-Q119 HydrophobicContact CG1-CG 4.31Å |
| 118 | I | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.4 | 173.7 | -56.5 | -179.4 | 0 | 0 | 0 | 108.3 | L23 V31 L33 L94 L96 S101 G102 F104 V120 | L23-I118 CarbonylContact O-C 3.51Å; L23-I118 WeakPolarHBondContact O-CA 3.48Å; V31-I118 HydrophobicContact CG2-CD1 4.15Å; L33-I118 HydrophobicContact CD1-CD1 4.48Å; L33-I118 HydrophobicContact CD2-CD1 3.55Å; L33-I118 HydrophobicContact CD2-CG1 4.18Å; L94-I118 HydrophobicContact CD2-CD1 4.21Å; L96-I118 HydrophobicContact CD1-CG2 4.45Å; L96-I118 HydrophobicContact CD2-CD1 4.38Å; L96-I118 HydrophobicContact CD2-CG2 3.84Å; S101-I118 WeakPolarHBondContact CA-O 3.13Å; G102-I118 PolarHBondContact N-O 3.45Å; G102-I118 PolarHBondContact O-N 2.6Å; F104-I118 HydrophobicContact CD2-CB 4.4Å; F104-I118 HydrophobicContact CD2-CD1 3.49Å; F104-I118 VanDerWaalsContact CD2-CD1 3.49Å; F104-I118 HydrophobicContact CD2-CG1 3.75Å; F104-I118 HydrophobicContact CE2-CB 4.09Å; F104-I118 HydrophobicContact CE2-CD1 3.21Å; F104-I118 HydrophobicContact CE2-CG1 3.75Å; F104-I118 HydrophobicContact CG-CD1 4.35Å; F104-I118 HydrophobicContact CZ-CD1 3.86Å; I118-V120 HydrophobicContact CG2-CG2 4.06Å |
| 119 | Q | 95.8 | Very high | 86.2 | Confident | 102 Ų | 102 | 83.6 Ų | 83.6 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 112.2 | 170.2 | -60 | -174.1 | 33.3 | 0 | 0 | 108.4 | L23 E24 G25 V117 | L23-Q119 PolarHBondContact O-N 3.29Å; E24-Q119 WeakPolarHBondContact CA-O 3.37Å; G25-Q119 PolarHBondContact N-O 3.12Å; G25-Q119 VanDerWaalsContact N-O 3.08Å; V117-Q119 HydrophobicContact CG1-CG 4.31Å |
| 120 | V | 96.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.03 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 120.3 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | G25 P27 L96 D100 S101 I118 G122 D123 | G25-V120 CarbonylContact O-C 3.58Å; G25-V120 WeakPolarHBondContact O-CA 3.33Å; P27-V120 HydrophobicContact CG-CG1 3.83Å; L96-V120 HydrophobicContact CD1-CG2 4.37Å; L96-V120 HydrophobicContact CD2-CG2 4.19Å; D100-V120 HydrophobicContact CB-CG2 4.2Å; S101-V120 WeakPolarHBondContact OG-CB 3.42Å; S101-V120 PolarHBondContact OG-N 3.23Å; I118-V120 HydrophobicContact CG2-CG2 4.06Å; V120-G122 PolarHBondContact O-N 3.29Å; V120-D123 WeakPolarHBondContact O-CB 3.42Å; V120-D123 PolarHBondContact O-N 3.41Å; V120-D123 VanDerWaalsContact O-N 3.08Å |
| 121 | L | 93.8 | Very high | 83.3 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 125.5 | 178.7 | -73.9 | 173.6 | 0 | 0 | 0 | 110.5 | E24 G25 N26 | E24-L121 HydrophobicContact CG-CD2 4.39Å; E24-L121 HydrophobicContact CG-CG 4.25Å; E24-L121 VanDerWaalsContact OE1-CD2 3.24Å; E24-L121 WeakPolarHBondContact OE1-CD2 3.35Å; G25-L121 PolarHBondContact O-N 3.42Å; N26-L121 VanDerWaalsContact OD1-CD1 3.24Å; N26-L121 WeakPolarHBondContact OD1-CD1 3.33Å |
| 122 | G | 88.4 | Confident | 81.6 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.2 | -15.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | V120 | V120-G122 PolarHBondContact O-N 3.29Š|
| 123 | D | 89.7 | Confident | 79.9 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 17% | 0.171 | 44% | 0.443 | C | S | . | . | trans | -71.2 | 131.5 | 172.7 | -75.6 | -6.2 | 0 | 0 | 0 | 110.9 | F50 G99 S101 V120 | F50-D123 HydrophobicContact CD2-CB 4.14Å; F50-D123 HydrophobicContact CE2-CB 3.94Å; G99-D123 WeakPolarHBondContact CA-OD1 3.47Å; G99-D123 WeakPolarHBondContact CA-OD2 3.07Å; G99-D123 PolarHBondContact N-OD1 2.84Å; G99-D123 PolarHBondContact N-OD2 3.28Å; S101-D123 WeakPolarHBondContact CB-OD2 3.36Å; S101-D123 PolarHBondContact N-OD2 3.12Å; S101-D123 VanDerWaalsContact OG-CB 3.26Å; S101-D123 WeakPolarHBondContact OG-CB 3.37Å; S101-D123 VanDerWaalsContact OG-CG 3.28Å; S101-D123 PolarHBondContact OG-OD2 3.45Å; V120-D123 WeakPolarHBondContact O-CB 3.42Å; V120-D123 PolarHBondContact O-N 3.41Å; V120-D123 VanDerWaalsContact O-N 3.08Å | ||
| 124 | K | 87.1 | Confident | 78 | Confident | 156 Ų | 156 | 79.9 Ų | 79.9 | 68% | 0.678 | 47% | 0.472 | S | S | * | . | trans | -137.5 | 153.4 | -176.2 | -64 | -179.6 | -176.5 | -177.7 | 0 | 110.6 | G126 | K124-G126 PolarHBondContact O-N 3.47Š| ||
| 125 | A | 83.2 | Confident | 75.9 | Confident | 74 Ų | 74 | 83 Ų | 83 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -64.8 | -25.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F50 C127 | F50-A125 VanDerWaalsContact CD1-CA 3.43Å; F50-A125 HydrophobicContact CD1-CB 3.78Å; F50-A125 HydrophobicContact CE1-CB 3.66Å; A125-C127 PolarHBondContact O-N 3.49Å |
| 126 | G | 81.5 | Confident | 74.2 | Confident | 58 Ų | 58 | 82 Ų | 82 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -79.1 | 105 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | K124 R128 | K124-G126 PolarHBondContact O-N 3.47Å; G126-R128 PolarHBondContact O-N 2.78Å |
| 127 | C | 75.8 | Confident | 72.3 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | trans | -72.8 | 65.8 | 176 | -42 | 0 | 0 | 0 | 0 | 110 | C53 A125 P129 | C53-C127 WeakPolarHBondContact CA-SG 3.47Å; C53-C127 HydrophobicContact CB-CB 3.69Å; C53-C127 WeakPolarHBondContact CB-SG 3.26Å; C53-C127 PolarHBondContact N-SG 3.45Å; C53-C127 WeakPolarHBondContact SG-CA 3.28Å; C53-C127 WeakPolarHBondContact SG-CB 3.41Å; C53-C127 CovalentContact SG-SG 2.04Å; C53-C127 PolarHBondContact SG-SG 3.44Å; A125-C127 PolarHBondContact O-N 3.49Å; C127-P129 WeakPolarHBondContact O-CD 3.24Å | ||
| 128 | R | 69.4 | Low | 70.3 | Confident | 227 Ų | 227 | 97.6 Ų | 97.6 | 86% | 0.857 | 58% | 0.578 | S | S | * | * | trans | -77.5 | 121.3 | 167.8 | -158.5 | 165.1 | -171.2 | 161.3 | 0.9 | 105.2 | G126 S130 | G126-R128 PolarHBondContact O-N 2.78Å; R128-S130 PolarHBondContact O-N 3.26Å; R128-S130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | P | 58.8 | Low | 68.6 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 71% | 0.708 | 59% | 0.592 | S | S | * | * | trans | -50.6 | 128.3 | 168.6 | 19.8 | -27.8 | 0 | 0 | 0 | 106.2 | C127 G131 | C127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.83Å | ||
| 130 | S | 56.1 | Low | 67 | Low | 117 Ų | 117 | 102.3 Ų | 102.3 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -47.9 | 107.3 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 105.2 | R128 S132 | R128-S130 PolarHBondContact O-N 3.26Å; R128-S130 VanDerWaalsContact O-N 3.1Å; S130-S132 PolarHBondContact O-N 2.76Å | ||
| 131 | G | 47.5 | Very low | 65.6 | Low | 62 Ų | 62 | 106.2 Ų | 106.2 | 64% | 0.639 | 63% | 0.626 | S | S | * | * | trans | -55.8 | 112.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | P129 T133 | P129-G131 VanDerWaalsContact C-N 3.31Å; P129-G131 PolarHBondContact O-N 2.83Å; G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 PolarHBondContact O-OG1 2.85Å | ||
| 132 | S | 40.9 | Very low | 64.7 | Low | 96 Ų | 96 | 106.1 Ų | 106.1 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | trans | -52.8 | 109 | 168.7 | 53 | 0 | 0 | 0 | 0 | 104.2 | S130 H134 | S130-S132 PolarHBondContact O-N 2.76Å; S132-H134 PolarHBondContact O-N 3.26Å; S132-H134 PolarHBondContact OG-O 3.08Å | ||
| 133 | T | 48.2 | Very low | 63.9 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 85% | 0.853 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -74.1 | 59.5 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 106.3 | G131 | G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 3.1Å; G131-T133 PolarHBondContact O-OG1 2.85Å |
| 134 | H | 52.1 | Low | 63.2 | Low | 173 Ų | 173 | 110.3 Ų | 110.3 | 80% | 0.801 | 64% | 0.636 | S | S | * | * | trans | -159.3 | 96.2 | 178.8 | -95.4 | -80.8 | 0 | 0 | 0 | 103.8 | S132 | S132-H134 PolarHBondContact O-N 3.26Å; S132-H134 PolarHBondContact OG-O 3.08Å | ||
| 135 | G | 48.8 | Very low | 62.8 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | 152.9 | 11.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 136 | S | 56.7 | Low | 62.8 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | trans | -111.5 | 42.1 | 168.2 | -163.2 | 0 | 0 | 0 | 0 | 110.5 | S139 | S136-S139 PolarHBondContact OG-OG 2.85Š| ||
| 137 | E | 56.1 | Low | 62.9 | Low | 160 Ų | 160 | 109.5 Ų | 109.5 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -104.6 | -32.1 | 164.3 | -70 | -155.3 | 140.4 | 0 | 0 | 111.1 | S139 K140 V141 | E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-V141 PolarHBondContact O-N 3.31Å |
| 138 | Y | 54.9 | Low | 63.4 | Low | 184 Ų | 184 | 113.4 Ų | 113.4 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.9 | -37.1 | 175.1 | -146.9 | -108.9 | 0 | 0 | 0 | 111.8 | K140 V141 L142 | Y138-K140 PolarHBondContact O-N 2.77Å; Y138-V141 PolarHBondContact O-N 3.33Å; Y138-L142 HydrophobicContact CD1-CD1 3.43Å; Y138-L142 VanDerWaalsContact CD1-CD1 3.43Å; Y138-L142 HydrophobicContact CE1-CD1 3.03Å; Y138-L142 HydrophobicContact CG-CD1 4.39Å; Y138-L142 WeakPolarHBondContact O-CB 3.24Å; Y138-L142 PolarHBondContact O-N 3.49Å |
| 139 | S | 60.1 | Low | 64.2 | Low | 42 Ų | 42 | 104.8 Ų | 104.8 | 29% | 0.294 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.1 | -36.8 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | S136 E137 V141 I143 | S136-S139 PolarHBondContact OG-OG 2.85Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.88Å; S139-V141 VanDerWaalsContact C-N 3.26Å; S139-V141 PolarHBondContact O-N 3.41Å; S139-I143 WeakPolarHBondContact O-CB 3.07Å; S139-I143 WeakPolarHBondContact O-CD1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3Å; S139-I143 PolarHBondContact O-N 3.08Å |
| 140 | K | 61.9 | Low | 65.7 | Low | 160 Ų | 160 | 105.1 Ų | 105.1 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.8 | -24.4 | 178.4 | -94.2 | 175 | 179.4 | 161.2 | 0 | 113.3 | E137 Y138 P144 | E137-K140 PolarHBondContact O-N 3.4Å; Y138-K140 PolarHBondContact O-N 2.77Å; K140-P144 WeakPolarHBondContact O-CD 3.5Å; K140-P144 WeakPolarHBondContact O-CG 3.4Å |
| 141 | V | 67.3 | Low | 67.5 | Low | 87 Ų | 87 | 104.4 Ų | 104.4 | 53% | 0.527 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -98.3 | -41.5 | -179.9 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | E137 Y138 S139 I143 P144 L145 | E137-V141 PolarHBondContact O-N 3.31Å; Y138-V141 PolarHBondContact O-N 3.33Å; S139-V141 VanDerWaalsContact C-N 3.26Å; S139-V141 PolarHBondContact O-N 3.41Å; V141-I143 PolarHBondContact O-N 3.36Å; V141-P144 VanDerWaalsContact O-CD 3.28Å; V141-P144 WeakPolarHBondContact O-CD 3.33Å; V141-P144 WeakPolarHBondContact O-CG 3.42Å; V141-L145 HydrophobicContact CG1-CD1 3.42Å; V141-L145 VanDerWaalsContact CG1-CD1 3.42Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 PolarHBondContact O-N 2.75Å; V141-L145 VanDerWaalsContact O-N 3.15Å |
| 142 | L | 73.4 | Confident | 69.6 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 40% | 0.398 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69 | -38.5 | -175.4 | -130.4 | 125.6 | 0 | 0 | 0 | 113.2 | Y138 L145 L146 | Y138-L142 HydrophobicContact CD1-CD1 3.43Å; Y138-L142 VanDerWaalsContact CD1-CD1 3.43Å; Y138-L142 HydrophobicContact CE1-CD1 3.03Å; Y138-L142 HydrophobicContact CG-CD1 4.39Å; Y138-L142 WeakPolarHBondContact O-CB 3.24Å; Y138-L142 PolarHBondContact O-N 3.49Å; L142-L145 PolarHBondContact O-N 2.81Å; L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CD2-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.92Å |
| 143 | I | 72.5 | Confident | 71.9 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 61% | 0.605 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -49.9 | -179.3 | -62.6 | 171.2 | 0 | 0 | 0 | 111.7 | S139 V141 L145 L146 G147 | S139-I143 WeakPolarHBondContact O-CB 3.07Å; S139-I143 WeakPolarHBondContact O-CD1 3.32Å; S139-I143 WeakPolarHBondContact O-CG1 3Å; S139-I143 PolarHBondContact O-N 3.08Å; V141-I143 PolarHBondContact O-N 3.36Å; I143-L145 PolarHBondContact O-N 3.15Å; I143-L146 PolarHBondContact O-N 2.96Å; I143-G147 PolarHBondContact O-N 3.36Å |
| 144 | P | 75.3 | Confident | 74.1 | Confident | 64 Ų | 64 | 103.2 Ų | 103.2 | 42% | 0.416 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -32.6 | 175.4 | 24.3 | -32.2 | 0 | 0 | 0 | 113 | K140 V141 G147 F148 | K140-P144 WeakPolarHBondContact O-CD 3.5Å; K140-P144 WeakPolarHBondContact O-CG 3.4Å; V141-P144 VanDerWaalsContact O-CD 3.28Å; V141-P144 WeakPolarHBondContact O-CD 3.33Å; V141-P144 WeakPolarHBondContact O-CG 3.42Å; P144-G147 PolarHBondContact O-N 3.4Å; P144-F148 WeakPolarHBondContact O-CD2 3.5Å; P144-F148 PolarHBondContact O-N 3.42Å |
| 145 | L | 78.9 | Confident | 76 | Confident | 117 Ų | 117 | 96.8 Ų | 96.8 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 174.8 | -102.7 | 128.7 | 0 | 0 | 0 | 112.6 | V141 L142 I143 G147 F148 G149 | V141-L145 HydrophobicContact CG1-CD1 3.42Å; V141-L145 VanDerWaalsContact CG1-CD1 3.42Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 PolarHBondContact O-N 2.75Å; V141-L145 VanDerWaalsContact O-N 3.15Å; L142-L145 PolarHBondContact O-N 2.81Å; I143-L145 PolarHBondContact O-N 3.15Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-F148 PolarHBondContact O-N 3.49Å; L145-G149 PolarHBondContact O-N 2.92Å |
| 146 | L | 82.9 | Confident | 78 | Confident | 118 Ų | 118 | 96 Ų | 96 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 172.6 | -84.2 | 161.9 | 0 | 0 | 0 | 111.3 | L142 I143 G149 L150 | L142-L146 HydrophobicContact CD2-CD1 3.8Å; L142-L146 HydrophobicContact CD2-CG 4.49Å; L142-L146 WeakPolarHBondContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.42Å; L142-L146 PolarHBondContact O-N 2.92Å; I143-L146 PolarHBondContact O-N 2.96Å; L146-G149 PolarHBondContact O-N 3.23Å; L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.37Å |
| 147 | G | 84.2 | Confident | 79.6 | Confident | 36 Ų | 36 | 97.9 Ų | 97.9 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I143 P144 L145 L150 V151 | I143-G147 PolarHBondContact O-N 3.36Å; P144-G147 PolarHBondContact O-N 3.4Å; L145-G147 VanDerWaalsContact C-N 3.32Å; G147-L150 PolarHBondContact O-N 3.5Å; G147-V151 WeakPolarHBondContact O-CG2 3.39Å; G147-V151 PolarHBondContact O-N 3.28Å; G147-V151 VanDerWaalsContact O-N 3.07Å |
| 148 | F | 84.9 | Confident | 81.2 | Confident | 149 Ų | 149 | 92 Ų | 92 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 176.6 | -98.4 | -84.2 | 0 | 0 | 0 | 112.1 | P144 L145 L150 V151 L152 | P144-F148 WeakPolarHBondContact O-CD2 3.5Å; P144-F148 PolarHBondContact O-N 3.42Å; L145-F148 PolarHBondContact O-N 3.49Å; F148-L150 VanDerWaalsContact C-N 3.32Å; F148-L150 PolarHBondContact O-N 3.34Å; F148-V151 PolarHBondContact O-N 3.45Å; F148-L152 WeakPolarHBondContact O-CB 3.45Å; F148-L152 VanDerWaalsContact O-CG 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.37Å; F148-L152 PolarHBondContact O-N 3.45Å |
| 149 | G | 86.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L145 L146 G153 | L145-G149 PolarHBondContact O-N 2.92Å; L146-G149 PolarHBondContact O-N 3.23Å; G149-G153 PolarHBondContact O-N 3.05Å |
| 150 | L | 91.2 | Very high | 84.3 | Confident | 116 Ų | 116 | 89.7 Ų | 89.7 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -45.6 | 178.3 | -162 | 95.1 | 0 | 0 | 0 | 112 | L146 G147 F148 G153 L154 | L146-L150 WeakPolarHBondContact O-CB 3.36Å; L146-L150 PolarHBondContact O-N 3.37Å; G147-L150 PolarHBondContact O-N 3.5Å; F148-L150 VanDerWaalsContact C-N 3.32Å; F148-L150 PolarHBondContact O-N 3.34Å; L150-G153 PolarHBondContact O-N 3.04Å; L150-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 WeakPolarHBondContact O-CG 3.3Å; L150-L154 PolarHBondContact O-N 3.49Å |
| 151 | V | 92.8 | Very high | 85.5 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | G147 F148 G155 | G147-V151 WeakPolarHBondContact O-CG2 3.39Å; G147-V151 PolarHBondContact O-N 3.28Å; G147-V151 VanDerWaalsContact O-N 3.07Å; F148-V151 PolarHBondContact O-N 3.45Å; V151-G155 PolarHBondContact O-N 2.9Å |
| 152 | L | 92.4 | Very high | 86.4 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 177.3 | -69.9 | 172.6 | 0 | 0 | 0 | 111.8 | F148 G155 A156 | F148-L152 WeakPolarHBondContact O-CB 3.45Å; F148-L152 VanDerWaalsContact O-CG 3.3Å; F148-L152 WeakPolarHBondContact O-CG 3.37Å; F148-L152 PolarHBondContact O-N 3.45Å; L152-G155 PolarHBondContact O-N 3.44Å; L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.27Å |
| 153 | G | 89.6 | Confident | 86.9 | Confident | 43 Ų | 43 | 96.3 Ų | 96.3 | 44% | 0.443 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | G149 L150 A156 L157 | G149-G153 PolarHBondContact O-N 3.05Å; L150-G153 PolarHBondContact O-N 3.04Å; G153-A156 PolarHBondContact O-N 2.98Å; G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 3.45Å |
| 154 | L | 93.9 | Very high | 87.3 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 177.6 | -69.1 | 174.7 | 0 | 0 | 0 | 112 | L150 L157 G158 | L150-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 WeakPolarHBondContact O-CG 3.3Å; L150-L154 PolarHBondContact O-N 3.49Å; L154-L157 PolarHBondContact O-N 3.45Å; L154-G158 PolarHBondContact O-N 3.17Å |
| 155 | G | 91.4 | Very high | 87.5 | Confident | 38 Ų | 38 | 105.3 Ų | 105.3 | 39% | 0.392 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.8 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V151 L152 G158 L159 | V151-G155 PolarHBondContact O-N 2.9Å; L152-G155 PolarHBondContact O-N 3.44Å; G155-G158 PolarHBondContact O-N 2.85Å; G155-L159 PolarHBondContact O-N 2.95Å |
| 156 | A | 91.5 | Very high | 87.4 | Confident | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L152 G153 G158 L159 V160 | L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-A156 PolarHBondContact O-N 3.27Å; G153-A156 PolarHBondContact O-N 2.98Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.46Å; A156-L159 PolarHBondContact O-N 2.95Å; A156-V160 WeakPolarHBondContact O-CG2 3.46Å; A156-V160 PolarHBondContact O-N 3.37Å |
| 157 | L | 89.8 | Confident | 86.7 | Confident | 119 Ų | 119 | 105.9 Ų | 105.9 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 177.2 | -172.5 | 63.2 | 0 | 0 | 0 | 111.7 | G153 L154 V160 W161 | G153-L157 WeakPolarHBondContact O-CB 3.43Å; G153-L157 PolarHBondContact O-N 3.45Å; L154-L157 PolarHBondContact O-N 3.45Å; L157-V160 PolarHBondContact O-N 3.41Å; L157-W161 WeakPolarHBondContact O-CB 3.36Å; L157-W161 PolarHBondContact O-N 3.03Å |
| 158 | G | 90.3 | Very high | 85.9 | Confident | 37 Ų | 37 | 109.4 Ų | 109.4 | 38% | 0.381 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.4 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L154 G155 A156 W161 W162 | L154-G158 PolarHBondContact O-N 3.17Å; G155-G158 PolarHBondContact O-N 2.85Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.46Å; G158-W161 PolarHBondContact O-N 2.94Å; G158-W162 VanDerWaalsContact O-CB 3.26Å; G158-W162 WeakPolarHBondContact O-CB 3.46Å; G158-W162 PolarHBondContact O-N 3.35Å |
| 159 | L | 88.8 | Confident | 85.1 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -43.5 | 176 | -84 | 163.4 | 0 | 0 | 0 | 112.5 | G155 A156 W162 R163 | G155-L159 PolarHBondContact O-N 2.95Å; A156-L159 PolarHBondContact O-N 2.95Å; L159-W162 HydrophobicContact CD2-CE3 4.43Å; L159-W162 PolarHBondContact O-N 3Å; L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 WeakPolarHBondContact O-CG 3.38Å; L159-R163 PolarHBondContact O-N 2.92Å |
| 160 | V | 90.1 | Very high | 84.2 | Confident | 77 Ų | 77 | 111 Ų | 111 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63 | -45.6 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | A156 L157 R163 R164 | A156-V160 WeakPolarHBondContact O-CG2 3.46Å; A156-V160 PolarHBondContact O-N 3.37Å; L157-V160 PolarHBondContact O-N 3.41Å; V160-R163 PolarHBondContact O-N 3.07Å; V160-R164 PolarHBondContact O-N 3.36Å |
| 161 | W | 87.7 | Confident | 83.3 | Confident | 154 Ų | 154 | 111 Ų | 111 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.6 | -40 | 179.3 | -169.5 | 77.2 | 0 | 0 | 0 | 112.4 | L157 G158 R164 R165 | L157-W161 WeakPolarHBondContact O-CB 3.36Å; L157-W161 PolarHBondContact O-N 3.03Å; G158-W161 PolarHBondContact O-N 2.94Å; W161-R164 PolarHBondContact O-N 2.94Å; W161-R165 PolarHBondContact O-N 3.35Å |
| 162 | W | 87.2 | Confident | 82.3 | Confident | 122 Ų | 122 | 111.6 Ų | 111.6 | 46% | 0.462 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.6 | -42.1 | 174.5 | -176.7 | 68.6 | 0 | 0 | 0 | 112.5 | G158 L159 R165 R166 | G158-W162 VanDerWaalsContact O-CB 3.26Å; G158-W162 WeakPolarHBondContact O-CB 3.46Å; G158-W162 PolarHBondContact O-N 3.35Å; L159-W162 HydrophobicContact CD2-CE3 4.43Å; L159-W162 PolarHBondContact O-N 3Å; W162-R165 PolarHBondContact O-N 3.48Å; W162-R166 VanDerWaalsContact CE2-NE 3.29Å; W162-R166 VanDerWaalsContact CH2-NH1 3.32Å; W162-R166 PolarHBondContact O-N 2.99Å |
| 163 | R | 83.8 | Confident | 81.6 | Confident | 185 Ų | 185 | 111.5 Ų | 111.5 | 70% | 0.698 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.6 | -43.7 | 173.2 | -79.5 | -173.4 | 174.2 | -173.8 | -0.6 | 111.8 | L159 V160 R165 R166 S167 | L159-R163 WeakPolarHBondContact O-CB 3.49Å; L159-R163 WeakPolarHBondContact O-CG 3.38Å; L159-R163 PolarHBondContact O-N 2.92Å; V160-R163 PolarHBondContact O-N 3.07Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.39Å; R163-R166 PolarHBondContact O-N 3.38Å; R163-R166 VanDerWaalsContact O-N 3.11Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.37Å |
| 164 | R | 80.6 | Confident | 80.9 | Confident | 192 Ų | 192 | 114.9 Ų | 114.9 | 73% | 0.725 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.8 | -37.9 | 176.3 | -76.1 | -172.1 | -170.4 | -152.5 | 3.5 | 112.8 | V160 W161 R166 | V160-R164 PolarHBondContact O-N 3.36Å; W161-R164 PolarHBondContact O-N 2.94Å; R164-R166 VanDerWaalsContact C-N 3.32Å |
| 165 | R | 78.4 | Confident | 79.9 | Confident | 180 Ų | 180 | 115.4 Ų | 115.4 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.5 | -24.2 | 176.7 | -74.1 | -148.1 | -166.6 | -140 | 8.9 | 114 | W161 W162 R163 | W161-R165 PolarHBondContact O-N 3.35Å; W162-R165 PolarHBondContact O-N 3.48Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.39Å |
| 166 | R | 76.9 | Confident | 78.9 | Confident | 166 Ų | 166 | 119.1 Ų | 119.1 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -92.6 | -4.9 | 179.8 | -73 | -172.2 | 172.7 | -164.2 | -2.5 | 113.6 | W162 R163 R164 | W162-R166 VanDerWaalsContact CE2-NE 3.29Å; W162-R166 VanDerWaalsContact CH2-NH1 3.32Å; W162-R166 PolarHBondContact O-N 2.99Å; R163-R166 PolarHBondContact O-N 3.38Å; R163-R166 VanDerWaalsContact O-N 3.11Å; R164-R166 VanDerWaalsContact C-N 3.32Å |
| 167 | S | 69.6 | Low | 77.8 | Confident | 80 Ų | 80 | 122.2 Ų | 122.2 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -63.8 | 126.5 | 171.5 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | R163 | R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.37Å |
| 168 | P | 66.4 | Low | 76.1 | Confident | 111 Ų | 111 | 123 Ų | 123 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.4 | 174.1 | 22.1 | -28.9 | 0 | 0 | 0 | 110 | ||
| 169 | P | 68.4 | Low | 74.3 | Confident | 113 Ų | 113 | 124.4 Ų | 124.4 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147 | 174.9 | 24.5 | -32.4 | 0 | 0 | 0 | 109.9 | ||
| 170 | P | 68.3 | Low | 72.2 | Confident | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.9 | 175.9 | 23.3 | -31.7 | 0 | 0 | 0 | 109.8 | ||
| 171 | P | 72.2 | Confident | 69.8 | Low | 114 Ų | 114 | 130.3 Ų | 130.3 | 74% | 0.74 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 145.3 | 179.2 | 23.9 | -32.4 | 0 | 0 | 0 | 110.2 | ||
| 172 | P | 72 | Confident | 67.9 | Low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143.8 | 177.1 | 24.5 | -32.3 | 0 | 0 | 0 | 110.1 | ||
| 173 | P | 76.1 | Confident | 65.4 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 146 | 177.3 | 23.8 | -31.9 | 0 | 0 | 0 | 110.7 | ||
| 174 | P | 75.4 | Confident | 63.3 | Low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 147.6 | 178.2 | 25.6 | -33 | 0 | 0 | 0 | 110.8 | ||
| 175 | P | 72.3 | Confident | 61 | Low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.6 | 179.8 | 24.8 | -32.7 | 0 | 0 | 0 | 110.5 | ||
| 176 | P | 70.8 | Confident | 59.3 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.5 | 174.6 | 26 | -32.4 | 0 | 0 | 0 | 110.2 | ||
| 177 | P | 69.7 | Low | 57.6 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149.2 | 177.6 | 24 | -31.6 | 0 | 0 | 0 | 111.1 | G179 | P177-G179 PolarHBondContact O-N 2.98Š|
| 178 | P | 53.2 | Low | 56.1 | Low | 137 Ų | 137 | 121 Ų | 121 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 105.4 | 178.1 | -9.2 | 21.8 | 0 | 0 | 0 | 109.8 | ||||
| 179 | G | 51.6 | Low | 54.4 | Low | 65 Ų | 65 | 122.5 Ų | 122.5 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 141.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P177 | P177-G179 PolarHBondContact O-N 2.98Š|
| 180 | P | 45.5 | Very low | 52.8 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141.8 | -178.9 | 26 | -31.3 | 0 | 0 | 0 | 112.5 | ||
| 181 | L | 39.9 | Very low | 51.1 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 161.7 | 172.3 | -156.5 | 80.4 | 0 | 0 | 0 | 108.7 | ||
| 182 | P | 47.8 | Very low | 49.4 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 59% | 0.591 | 78% | 0.777 | S | S | * | * | cis | -121.6 | 171.4 | -30.1 | 16.7 | 6.1 | 0 | 0 | 0 | 111.8 | ||||
| 183 | T | 34.9 | Very low | 47.5 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 130.1 | 140.3 | -66.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 184 | I | 38.6 | Very low | 45.3 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -90.7 | 139.8 | -168.1 | -70.9 | 167.3 | 0 | 0 | 0 | 110.7 | ||||
| 185 | A | 33.1 | Very low | 43.7 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 80.4 | 156.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 186 | P | 42.4 | Very low | 42 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -123.8 | 159.1 | 3.6 | 26.1 | -4 | 0 | 0 | 0 | 116.9 | ||||
| 187 | V | 41.3 | Very low | 40.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -50.2 | 131.6 | 170 | 172 | 0 | 0 | 0 | 0 | 112.9 | N189 | V187-N189 WeakPolarHBondContact CG1-OD1 3.26Š| ||
| 188 | I | 37.9 | Very low | 38.5 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -130.8 | 120.4 | 153.1 | -49.1 | 176.6 | 0 | 0 | 0 | 107.2 | ||||
| 189 | N | 32 | Very low | 37.4 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -64.4 | 134.1 | -172.4 | -61.3 | -40.1 | 0 | 0 | 0 | 112.4 | V187 | V187-N189 WeakPolarHBondContact CG1-OD1 3.26Š| ||
| 190 | A | 33.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -145.9 | 114.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 191 | E | 32.6 | Very low | 36 | Very low | 184 Ų | 184 | 144.5 Ų | 144.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -64.3 | 150.7 | -173.3 | -171.4 | 68.7 | 178.4 | 0 | 0 | 112.7 | ||||
| 192 | P | 37.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -99.7 | 150.1 | -167.1 | 19.2 | -1.4 | 0 | 0 | 0 | 113.8 | ||||
| 193 | Q | 30.4 | Very low | 35.2 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -139 | 126.3 | 156 | -74.2 | -158.7 | -15 | 0 | 0 | 114 | ||||
| 194 | R | 30.6 | Very low | 35 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -148.3 | 170.9 | 157.8 | -95.1 | -156.5 | -178.1 | 176.4 | 3.2 | 105.2 | ||||
| 195 | P | 41.8 | Very low | 34.4 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | cis | -143.3 | -176.6 | -45.2 | 41.7 | -24.6 | 0 | 0 | 0 | 112.5 | ||||
| 196 | L | 36.4 | Very low | 34.7 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | 68.2 | 146 | 162.5 | -88.1 | 109.8 | 0 | 0 | 0 | 115.8 | ||||
| 197 | E | 33.3 | Very low | 34.4 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | cis | -154.3 | 139.3 | 40 | -76.2 | -171.5 | 108.2 | 0 | 0 | 109.2 | ||||
| 198 | Q | 34.5 | Very low | 34 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 63.2 | 114.9 | 100 | -160.6 | 162.8 | -15.9 | 0 | 0 | 115.2 | |||||
| 199 | D | 28.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | -171.8 | 152 | 108.7 | -116.9 | -25.7 | 0 | 0 | 0 | 115.8 | |||||
| 200 | S | 40 | Very low | 34.3 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -81.8 | 142.6 | -179 | -59.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 201 | K | 29.5 | Very low | 34.4 | Very low | 205 Ų | 205 | 151.6 Ų | 151.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -153.6 | 116.8 | 150 | -153.3 | 157.9 | -173 | 170 | 0 | 113.2 | ||||
| 202 | I | 37 | Very low | 34.9 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 130.7 | 163.8 | -67.2 | 161.4 | 0 | 0 | 0 | 108.1 | ||||
| 203 | S | 32.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -164.7 | 117.6 | 144.5 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 204 | G | 31.1 | Very low | 35.6 | Very low | 71 Ų | 71 | 154.4 Ų | 154.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -81.8 | 163.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 205 | H | 26.1 | Very low | 36.3 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -165.1 | 142.9 | 139.2 | -162.4 | 49.6 | 0 | 0 | 0 | 109.4 | ||||
| 206 | L | 38.5 | Very low | 36.5 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 158.4 | -177.8 | -58.7 | 142.1 | 0 | 0 | 0 | 110.3 | ||||
| 207 | D | 35.8 | Very low | 37.1 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | cis | -157.4 | 135.5 | 39.1 | -73.5 | -68.1 | 0 | 0 | 0 | 109.3 | ||||
| 208 | Q | 34.2 | Very low | 37.6 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -138.4 | 104.3 | 163.7 | -165.1 | 94.5 | 41.3 | 0 | 0 | 108.8 | ||||
| 209 | E | 34.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 135.4 | 178.4 | -169.7 | -179.1 | 120.8 | 0 | 0 | 112.3 | N211 | E209-N211 PolarHBondContact O-N 2.94Š| ||
| 210 | P | 40 | Very low | 39 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -81.8 | 117.9 | 177.3 | 30.2 | -29.2 | 0 | 0 | 0 | 110.9 | L212 | P210-L212 PolarHBondContact O-N 3.46Å; P210-L212 VanDerWaalsContact O-N 3.17Å | ||
| 211 | N | 37.4 | Very low | 39.2 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -51.3 | 112.7 | 173.5 | -146.4 | -2.7 | 0 | 0 | 0 | 110.9 | E209 H213 | E209-N211 PolarHBondContact O-N 2.94Å; N211-H213 PolarHBondContact O-N 3.28Å | ||
| 212 | L | 42.3 | Very low | 40.2 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -73.9 | 106.1 | 177.8 | -74.6 | 165.1 | 0 | 0 | 0 | 109.9 | P210 Y214 | P210-L212 PolarHBondContact O-N 3.46Å; P210-L212 VanDerWaalsContact O-N 3.17Å; L212-Y214 PolarHBondContact O-N 3.47Å | ||
| 213 | H | 44.2 | Very low | 40.5 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 99 | 163.3 | -78.3 | -69.1 | 0 | 0 | 0 | 109.4 | N211 | N211-H213 PolarHBondContact O-N 3.28Š| ||
| 214 | Y | 39.3 | Very low | 41.1 | Very low | 213 Ų | 213 | 152.4 Ų | 152.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -67.9 | 128.1 | 164.9 | -100.3 | -91.7 | 0 | 0 | 0 | 109.4 | L212 D216 | L212-Y214 PolarHBondContact O-N 3.47Å; Y214-D216 PolarHBondContact O-N 2.91Å | ||
| 215 | A | 44.7 | Very low | 41.3 | Very low | 84 Ų | 84 | 158.5 Ų | 158.5 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 123.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L217 | A215-L217 PolarHBondContact O-N 3.42Š| ||
| 216 | D | 46.2 | Very low | 42.1 | Very low | 162 Ų | 162 | 160 Ų | 160 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -64.1 | 114.6 | 168.2 | -170.9 | 18.9 | 0 | 0 | 0 | 108.9 | Y214 | Y214-D216 PolarHBondContact O-N 2.91Š| ||
| 217 | L | 49.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 164.7 Ų | 164.7 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -96.7 | 113.9 | 177.6 | -86.6 | 161.9 | 0 | 0 | 0 | 109 | A215 H219 | A215-L217 PolarHBondContact O-N 3.42Å; L217-H219 PolarHBondContact O-CD2 3.4Å; L217-H219 PolarHBondContact O-N 3.3Å; L217-H219 VanDerWaalsContact O-N 3.12Å | ||
| 218 | D | 42.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 164.9 Ų | 164.9 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -54.4 | 108.6 | 175 | -167.6 | -11.1 | 0 | 0 | 0 | 111.6 | S220 | D218-S220 VanDerWaalsContact CG-OG 3.26Å; D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact OD1-CB 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.17Å; D218-S220 PolarHBondContact OD1-OG 3.36Å; D218-S220 PolarHBondContact OD2-OG 3.17Å | ||
| 219 | H | 48.3 | Very low | 42.2 | Very low | 159 Ų | 159 | 160.7 Ų | 160.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -80.9 | 11.2 | -177.8 | -77.7 | -61.5 | 0 | 0 | 0 | 114.2 | L217 V221 | L217-H219 PolarHBondContact O-CD2 3.4Å; L217-H219 PolarHBondContact O-N 3.3Å; L217-H219 VanDerWaalsContact O-N 3.12Å; H219-V221 VanDerWaalsContact C-N 3.29Å; H219-V221 PolarHBondContact O-N 3.3Å |
| 220 | S | 45.7 | Very low | 42.5 | Very low | 83 Ų | 83 | 156.7 Ų | 156.7 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -74.8 | -6.8 | -176.2 | 59.8 | 0 | 0 | 0 | 0 | 115.5 | D218 | D218-S220 VanDerWaalsContact CG-OG 3.26Å; D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact OD1-CB 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.4Å; D218-S220 PolarHBondContact OD1-N 3.17Å; D218-S220 PolarHBondContact OD1-OG 3.36Å; D218-S220 PolarHBondContact OD2-OG 3.17Å |
| 221 | V | 44.6 | Very low | 42.4 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -96 | -11.9 | -175.2 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | H219 | H219-V221 VanDerWaalsContact C-N 3.29Å; H219-V221 PolarHBondContact O-N 3.3Å |
| 222 | L | 48.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -94.5 | 6.9 | -175.7 | -71.8 | 174.4 | 0 | 0 | 0 | 115.5 | ||
| 223 | R | 43.4 | Very low | 43 | Very low | 235 Ų | 235 | 157.1 Ų | 157.1 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 51.3 | -175.3 | -145.9 | 179.2 | -164.3 | 166.9 | 4.1 | 113.8 | ||||
| 224 | R | 46.6 | Very low | 42.7 | Very low | 229 Ų | 229 | 151.5 Ų | 151.5 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -150.5 | 86.1 | 161.9 | -116.4 | -178.5 | -136.9 | -176.8 | 6 | 111.2 | ||||
| 225 | H | 35.6 | Very low | 43.1 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | -149.1 | 114.3 | 125.2 | -102.6 | -58.4 | 0 | 0 | 0 | 111.1 | R227 | H225-R227 PolarHBondContact O-N 2.86Š| |||
| 226 | R | 41.3 | Very low | 42.9 | Very low | 207 Ų | 207 | 149.8 Ų | 149.8 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -37.9 | 126.6 | 168.9 | -91.1 | 168.3 | 163.6 | 165.8 | -5.8 | 112.8 | M228 | R226-M228 PolarHBondContact O-N 3.06Š| ||
| 227 | R | 42.5 | Very low | 42.8 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -56.7 | 116.9 | 139.6 | -174.8 | -172.6 | -93.6 | -153.5 | -4.7 | 108.1 | H225 | H225-R227 PolarHBondContact O-N 2.86Š| ||
| 228 | M | 34.8 | Very low | 42.6 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | -137.8 | 117.5 | 157.7 | -88.6 | -178.6 | 166.1 | 0 | 0 | 108.3 | R226 | R226-M228 PolarHBondContact O-N 3.06Š| ||
| 229 | S | 35 | Very low | 42.6 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 155.1 | 172.4 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 230 | A | 40.1 | Very low | 42.3 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 38.3 | 111.6 | 147 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 231 | L | 36.8 | Very low | 42.4 | Very low | 162 Ų | 162 | 149 Ų | 149 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -157.4 | 114.9 | 134.4 | -140.3 | 86.3 | 0 | 0 | 0 | 109.9 | ||||
| 232 | V | 47.5 | Very low | 42.5 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -74 | 132.3 | 154.9 | 170.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 233 | P | 44.8 | Very low | 42.5 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -139 | 138.6 | 123.2 | 30.1 | -14 | 0 | 0 | 0 | 109.2 | |||||
| 234 | G | 39 | Very low | 43 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | 125.5 | 128.1 | 51.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 235 | D | 48.1 | Very low | 42.8 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | trans | -45.5 | 136.6 | -178.1 | -73.2 | -50.9 | 0 | 0 | 0 | 113.6 | ||||
| 236 | A | 39.2 | Very low | 43.2 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -140.6 | 85.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T238 | A236-T238 PolarHBondContact O-N 2.97Š| ||
| 237 | S | 45.7 | Very low | 43.3 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -61.5 | 124.8 | 160.8 | 78.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 238 | T | 43.6 | Very low | 43.3 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -122.6 | 123.7 | 164.5 | -48.1 | 0 | 0 | 0 | 0 | 109 | A236 | A236-T238 PolarHBondContact O-N 2.97Š| ||
| 239 | V | 42.7 | Very low | 43.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | trans | -112.4 | 130.7 | -166.5 | 163.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 240 | Y | 41.5 | Very low | 44.5 | Very low | 212 Ų | 212 | 129.6 Ų | 129.6 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | 35.5 | 142 | 166.6 | -47.5 | -63.4 | 0 | 0 | 0 | 123.8 | ||||
| 241 | A | 48.6 | Very low | 44.8 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | -145.9 | 121.8 | 117.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 242 | V | 46.5 | Very low | 45.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -94 | 127 | 163.2 | 173.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 243 | V | 48.8 | Very low | 45.2 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -98.5 | 120.4 | 168 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 244 | V | 54.2 | Low | 45.3 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 100% | 1.194 | 81% | 0.813 | S | S | * | * | trans | -81.3 | 0 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 244 of 244 residues in 139.9 ms
(Link to these results)