| 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 | 33.5 | Very low | 38 | Very low | 235 Ų | 235 | 149 Ų | 149 | 100% | 1.158 | 72% | 0.722 | S | S | * | * | 0 | 75.8 | 0 | -87.8 | -95.6 | 178.1 | 0 | 0 | 108.9 | |||||
| 2 | N | 34.9 | Very low | 38.1 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 171.9 | -10.1 | 153.7 | -86.4 | -2.2 | 0 | 0 | 0 | 115.6 | ||||
| 3 | N | 39.2 | Very low | 37.7 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -103.1 | 2.9 | 176.2 | -71.7 | -15.7 | 0 | 0 | 0 | 115 | ||
| 4 | L | 38.8 | Very low | 38.1 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -87.4 | -27.3 | -176.6 | -148.3 | 84.3 | 0 | 0 | 0 | 113 | N8 | L4-N8 VanDerWaalsContact O-CG 3.3Å; L4-N8 PolarHBondContact O-ND2 2.95Å |
| 5 | E | 38 | Very low | 38.2 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -83.4 | -28.8 | -173.1 | -73.9 | -174.1 | 160.8 | 0 | 0 | 114 | ||
| 6 | Q | 38.7 | Very low | 38 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.9 | -37.8 | 176.3 | -99.3 | 172.6 | -26.4 | 0 | 0 | 112.4 | N8 | Q6-N8 VanDerWaalsContact C-N 3.28Å; Q6-N8 PolarHBondContact O-N 2.92Å |
| 7 | N | 40.8 | Very low | 38 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -73.1 | -17.6 | 178.2 | -73.2 | -12.8 | 0 | 0 | 0 | 113.2 | Y11 | N7-Y11 WeakPolarHBondContact O-CD2 3.3Å |
| 8 | N | 36.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -82.3 | -21.1 | -178.6 | -76.4 | -14.3 | 0 | 0 | 0 | 113.9 | L4 Q6 L12 | L4-N8 VanDerWaalsContact O-CG 3.3Å; L4-N8 PolarHBondContact O-ND2 2.95Å; Q6-N8 VanDerWaalsContact C-N 3.28Å; Q6-N8 PolarHBondContact O-N 2.92Å; N8-L12 WeakPolarHBondContact O-CD1 3.47Å |
| 9 | K | 37 | Very low | 38.1 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -76.4 | -32.2 | -179.8 | -80.2 | -170.8 | 176.1 | -178 | 0 | 113.3 | ||
| 10 | E | 41.4 | Very low | 38.3 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 64% | 0.64 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -81.1 | -26.5 | -180 | -159.9 | 173.3 | -170.1 | 0 | 0 | 112.5 | ||
| 11 | Y | 39.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81 | -16.3 | -179 | -85 | -101.4 | 0 | 0 | 0 | 114.5 | N7 | N7-Y11 WeakPolarHBondContact O-CD2 3.3Å |
| 12 | L | 38.7 | Very low | 38.6 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -6.2 | -174.3 | -82.1 | 168.3 | 0 | 0 | 0 | 114.5 | N8 P14 | N8-L12 WeakPolarHBondContact O-CD1 3.47Å; L12-P14 WeakPolarHBondContact O-CD 3.45Å |
| 13 | D | 33.5 | Very low | 39.3 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 46% | 0.46 | 65% | 0.645 | S | S | . | * | trans | -118.5 | 95.8 | 176.2 | -152.5 | -15.6 | 0 | 0 | 0 | 111.5 | F15 N16 | D13-F15 PolarHBondContact O-N 3.32Å; D13-F15 PolarHBondContact OD1-N 3.38Å; D13-N16 HydrophobicContact CB-CB 4.15Å; D13-N16 PolarHBondContact O-N 2.86Å | ||
| 14 | P | 43.4 | Very low | 39.4 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -7.2 | 178 | 26 | -32.5 | 0 | 0 | 0 | 113.2 | L12 | L12-P14 WeakPolarHBondContact O-CD 3.45Š|
| 15 | F | 38.9 | Very low | 39.6 | Very low | 170 Ų | 170 | 123 Ų | 123 | 75% | 0.746 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 2.6 | -179.7 | -59.2 | -72.2 | 0 | 0 | 0 | 114.4 | D13 C17 | D13-F15 PolarHBondContact O-N 3.32Å; D13-F15 PolarHBondContact OD1-N 3.38Å; F15-C17 PolarHBondContact O-N 2.78Å |
| 16 | N | 34.9 | Very low | 39.9 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | trans | -80.2 | 66.8 | 174.9 | -157 | 18.6 | 0 | 0 | 0 | 110.8 | D13 | D13-N16 HydrophobicContact CB-CB 4.15Å; D13-N16 PolarHBondContact O-N 2.86Å | ||
| 17 | C | 38.1 | Very low | 40.3 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 51% | 0.514 | 62% | 0.62 | S | S | . | * | trans | -83.2 | 109.6 | 169.4 | -63.1 | 0 | 0 | 0 | 0 | 108.2 | F15 T19 | F15-C17 PolarHBondContact O-N 2.78Å; C17-T19 PolarHBondContact O-N 3.16Å; C17-T19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | N | 37.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 63% | 0.626 | 61% | 0.61 | S | S | * | * | trans | -45.4 | 124.1 | 170 | -75.3 | -22.8 | 0 | 0 | 0 | 110.1 | D20 | N18-D20 PolarHBondContact O-N 3.48Š| ||
| 19 | T | 41 | Very low | 41.7 | Very low | 136 Ų | 136 | 116 Ų | 116 | 83% | 0.834 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -67.3 | 4.3 | -172.3 | 14.1 | 0 | 0 | 0 | 0 | 115.4 | C17 S21 | C17-T19 PolarHBondContact O-N 3.16Å; C17-T19 VanDerWaalsContact O-N 3.16Å; T19-S21 PolarHBondContact O-N 3Å |
| 20 | D | 41.7 | Very low | 42.2 | Very low | 158 Ų | 158 | 112.7 Ų | 112.7 | 85% | 0.845 | 61% | 0.613 | S | S | * | * | trans | -99.6 | 24.1 | -170.7 | -60.3 | -27.9 | 0 | 0 | 0 | 113.9 | N18 | N18-D20 PolarHBondContact O-N 3.48Š| ||
| 21 | S | 39.2 | Very low | 42.5 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -124.7 | 136.5 | 171.8 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | T19 | T19-S21 PolarHBondContact O-N 3Š|
| 22 | S | 39.1 | Very low | 43.2 | Very low | 63 Ų | 63 | 106.1 Ų | 106.1 | 44% | 0.441 | 59% | 0.592 | S | S | . | * | trans | -35.7 | 139.4 | -178.1 | 164.9 | 0 | 0 | 0 | 0 | 113.8 | F24 S25 | S22-F24 PolarHBondContact O-N 3.43Å; S22-S25 PolarHBondContact O-N 3.02Å | ||
| 23 | P | 48.9 | Very low | 43.9 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -17.4 | -175.2 | 21.7 | -32.4 | 0 | 0 | 0 | 114.5 | ||
| 24 | F | 41.1 | Very low | 44.9 | Very low | 196 Ų | 196 | 104.8 Ų | 104.8 | 86% | 0.86 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 6.3 | 179.4 | -66.2 | -76.9 | 0 | 0 | 0 | 114.5 | S22 | S22-F24 PolarHBondContact O-N 3.43Š|
| 25 | S | 43.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 106.8 Ų | 106.8 | 53% | 0.531 | 58% | 0.58 | S | S | . | * | trans | -110 | 9.8 | 178.5 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | S22 P27 | S22-S25 PolarHBondContact O-N 3.02Å; S25-P27 VanDerWaalsContact O-CD 3.3Å; S25-P27 WeakPolarHBondContact O-CD 3.3Å | ||
| 26 | K | 44.5 | Very low | 46.6 | Very low | 156 Ų | 156 | 101.6 Ų | 101.6 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 116.8 | 172.9 | -70.4 | -177.9 | -178.6 | 178.8 | 0 | 107.8 | S28 | K26-S28 PolarHBondContact O-N 3.1Š|
| 27 | P | 47.2 | Very low | 47.3 | Very low | 55 Ų | 55 | 98.8 Ų | 98.8 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 143.1 | 171.9 | -9 | 21.1 | 0 | 0 | 0 | 107.6 | S25 E31 | S25-P27 VanDerWaalsContact O-CD 3.3Å; S25-P27 WeakPolarHBondContact O-CD 3.3Å; P27-E31 WeakPolarHBondContact CA-OE2 3.5Å; P27-E31 HydrophobicContact CB-CB 3.57Å; P27-E31 WeakPolarHBondContact CB-OE2 3.34Å |
| 28 | S | 58.3 | Low | 48 | Very low | 49 Ų | 49 | 98.9 Ų | 98.9 | 34% | 0.343 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 149.6 | 171.9 | 65 | 0 | 0 | 0 | 0 | 108.9 | K26 L30 E31 C32 | K26-S28 PolarHBondContact O-N 3.1Å; S28-L30 CarbonylContact O-C 3.58Å; S28-L30 PolarHBondContact O-N 3.26Å; S28-E31 PolarHBondContact N-OE2 3.39Å; S28-E31 WeakPolarHBondContact O-CA 3.47Å; S28-E31 WeakPolarHBondContact O-CB 3.45Å; S28-E31 PolarHBondContact O-N 3.06Å; S28-E31 WeakPolarHBondContact OG-CG 3.26Å; S28-E31 PolarHBondContact OG-N 3.48Å; S28-E31 VanDerWaalsContact OG-N 3.16Å; S28-C32 PolarHBondContact O-N 3.42Å |
| 29 | P | 49.9 | Very low | 48.9 | Very low | 111 Ų | 111 | 96.5 Ų | 96.5 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -50 | -29.2 | 174.7 | -27.9 | 34.4 | 0 | 0 | 0 | 112.6 | L33 | P29-L33 WeakPolarHBondContact O-CB 3.35Å; P29-L33 PolarHBondContact O-N 3.05Å |
| 30 | L | 46.6 | Very low | 49.5 | Very low | 113 Ų | 113 | 94.2 Ų | 94.2 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.1 | -44.8 | 173 | -167.3 | 73.3 | 0 | 0 | 0 | 113 | S28 L33 Q34 | S28-L30 CarbonylContact O-C 3.58Å; S28-L30 PolarHBondContact O-N 3.26Å; L30-L33 PolarHBondContact O-N 2.96Å; L30-Q34 VanDerWaalsContact O-CB 3.26Å; L30-Q34 WeakPolarHBondContact O-CB 3.13Å; L30-Q34 PolarHBondContact O-N 3.35Å |
| 31 | E | 48.2 | Very low | 49.9 | Very low | 106 Ų | 106 | 92 Ų | 92 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.5 | -76.7 | 174.9 | 149.9 | 0 | 0 | 111.7 | P27 S28 L33 Q34 K35 | P27-E31 WeakPolarHBondContact CA-OE2 3.5Å; P27-E31 HydrophobicContact CB-CB 3.57Å; P27-E31 WeakPolarHBondContact CB-OE2 3.34Å; S28-E31 PolarHBondContact N-OE2 3.39Å; S28-E31 WeakPolarHBondContact O-CA 3.47Å; S28-E31 WeakPolarHBondContact O-CB 3.45Å; S28-E31 PolarHBondContact O-N 3.06Å; S28-E31 WeakPolarHBondContact OG-CG 3.26Å; S28-E31 PolarHBondContact OG-N 3.48Å; S28-E31 VanDerWaalsContact OG-N 3.16Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 3.44Å; E31-Q34 PolarHBondContact O-N 3.18Å; E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.34Å |
| 32 | C | 53.2 | Low | 50.4 | Low | 42 Ų | 42 | 96.2 Ų | 96.2 | 28% | 0.284 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 172.8 | -76.3 | 0 | 0 | 0 | 0 | 111.2 | S28 K35 S36 | S28-C32 PolarHBondContact O-N 3.42Å; C32-K35 PolarHBondContact O-N 3.48Å; C32-S36 VanDerWaalsContact O-CB 3.26Å; C32-S36 WeakPolarHBondContact O-CB 3.32Å; C32-S36 PolarHBondContact O-N 2.97Å |
| 33 | L | 54.3 | Low | 50.7 | Low | 89 Ų | 89 | 98.2 Ų | 98.2 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 178.7 | -163.4 | 138.2 | 0 | 0 | 0 | 111.8 | P29 L30 E31 S36 C37 | P29-L33 WeakPolarHBondContact O-CB 3.35Å; P29-L33 PolarHBondContact O-N 3.05Å; L30-L33 PolarHBondContact O-N 2.96Å; E31-L33 VanDerWaalsContact C-N 3.33Å; E31-L33 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-N 2.82Å; L33-C37 WeakPolarHBondContact O-CB 3.44Å; L33-C37 PolarHBondContact O-N 3.48Å; L33-C37 PolarHBondContact O-SG 3.32Å |
| 34 | Q | 53.7 | Low | 50.5 | Low | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.8 | -172.8 | 177.5 | 2.4 | 0 | 0 | 111.5 | L30 E31 C37 N38 | L30-Q34 VanDerWaalsContact O-CB 3.26Å; L30-Q34 WeakPolarHBondContact O-CB 3.13Å; L30-Q34 PolarHBondContact O-N 3.35Å; E31-Q34 PolarHBondContact O-N 3.18Å; Q34-C37 PolarHBondContact O-N 2.97Å; Q34-N38 VanDerWaalsContact O-CB 3.25Å; Q34-N38 WeakPolarHBondContact O-CB 3.39Å; Q34-N38 PolarHBondContact O-N 3.16Å; Q34-N38 PolarHBondContact O-ND2 2.99Å |
| 35 | K | 57.6 | Low | 50.7 | Low | 138 Ų | 138 | 94.2 Ų | 94.2 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 175.4 | -168.8 | 176.2 | -177.7 | -178.6 | 0 | 111.2 | E31 C32 N38 N39 | E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.34Å; C32-K35 PolarHBondContact O-N 3.48Å; K35-N38 PolarHBondContact O-N 3.26Å; K35-N39 WeakPolarHBondContact O-CB 3.47Å; K35-N39 VanDerWaalsContact O-CG 3.28Å; K35-N39 PolarHBondContact O-N 2.87Å |
| 36 | S | 60.7 | Low | 50.9 | Low | 61 Ų | 61 | 96.1 Ų | 96.1 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | C32 L33 N38 N39 I40 | C32-S36 VanDerWaalsContact O-CB 3.26Å; C32-S36 WeakPolarHBondContact O-CB 3.32Å; C32-S36 PolarHBondContact O-N 2.97Å; L33-S36 PolarHBondContact O-N 2.82Å; S36-N38 PolarHBondContact O-N 2.94Å; S36-N39 PolarHBondContact O-N 2.93Å; S36-I40 VanDerWaalsContact O-CG1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.14Å; S36-I40 PolarHBondContact O-N 3.02Å |
| 37 | C | 49 | Very low | 51 | Low | 47 Ų | 47 | 94.4 Ų | 94.4 | 32% | 0.318 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 175.2 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | L33 Q34 N39 I40 L41 | L33-C37 WeakPolarHBondContact O-CB 3.44Å; L33-C37 PolarHBondContact O-N 3.48Å; L33-C37 PolarHBondContact O-SG 3.32Å; Q34-C37 PolarHBondContact O-N 2.97Å; C37-N39 VanDerWaalsContact C-N 3.34Å; C37-I40 PolarHBondContact O-N 2.81Å; C37-L41 WeakPolarHBondContact O-CB 3.41Å; C37-L41 VanDerWaalsContact O-CG 3.28Å; C37-L41 WeakPolarHBondContact O-CG 3.32Å; C37-L41 PolarHBondContact O-N 3.31Å |
| 38 | N | 53.2 | Low | 50.9 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.6 | -78.6 | -20.5 | 0 | 0 | 0 | 112.1 | Q34 K35 S36 L41 K42 | Q34-N38 VanDerWaalsContact O-CB 3.25Å; Q34-N38 WeakPolarHBondContact O-CB 3.39Å; Q34-N38 PolarHBondContact O-N 3.16Å; Q34-N38 PolarHBondContact O-ND2 2.99Å; K35-N38 PolarHBondContact O-N 3.26Å; S36-N38 PolarHBondContact O-N 2.94Å; N38-L41 PolarHBondContact O-N 3.02Å; N38-K42 WeakPolarHBondContact O-CB 3.33Å; N38-K42 VanDerWaalsContact O-CG 3.29Å; N38-K42 WeakPolarHBondContact O-CG 3.44Å; N38-K42 PolarHBondContact O-N 3.41Å |
| 39 | N | 56.4 | Low | 50 | Low | 68 Ų | 68 | 99 Ų | 99 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 174.4 | -78 | -7.2 | 0 | 0 | 0 | 111.4 | K35 S36 C37 L41 K42 N43 | K35-N39 WeakPolarHBondContact O-CB 3.47Å; K35-N39 VanDerWaalsContact O-CG 3.28Å; K35-N39 PolarHBondContact O-N 2.87Å; S36-N39 PolarHBondContact O-N 2.93Å; C37-N39 VanDerWaalsContact C-N 3.34Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 PolarHBondContact O-N 3.5Å; N39-K42 PolarHBondContact O-N 3.34Å; N39-N43 WeakPolarHBondContact O-CB 3.46Å; N39-N43 VanDerWaalsContact O-CG 3.29Å; N39-N43 PolarHBondContact O-N 3.44Å |
| 40 | I | 53.9 | Low | 49.6 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 172.7 | -66.9 | 166.6 | 0 | 0 | 0 | 109.6 | S36 C37 K42 N43 I44 | S36-I40 VanDerWaalsContact O-CG1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.14Å; S36-I40 PolarHBondContact O-N 3.02Å; C37-I40 PolarHBondContact O-N 2.81Å; I40-K42 VanDerWaalsContact C-N 3.34Å; I40-K42 PolarHBondContact O-N 3.42Å; I40-N43 PolarHBondContact O-N 3.1Å; I40-I44 HydrophobicContact CG2-CD1 3.8Å; I40-I44 HydrophobicContact CG2-CG1 4.37Å; I40-I44 WeakPolarHBondContact O-CB 3.47Å; I40-I44 WeakPolarHBondContact O-CD1 3.36Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3Å |
| 41 | L | 49 | Very low | 49.8 | Very low | 112 Ų | 112 | 103.8 Ų | 103.8 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -29.7 | 177.9 | -76.6 | 167 | 0 | 0 | 0 | 113.7 | C37 N38 N39 | C37-L41 WeakPolarHBondContact O-CB 3.41Å; C37-L41 VanDerWaalsContact O-CG 3.28Å; C37-L41 WeakPolarHBondContact O-CG 3.32Å; C37-L41 PolarHBondContact O-N 3.31Å; N38-L41 PolarHBondContact O-N 3.02Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 PolarHBondContact O-N 3.5Å |
| 42 | K | 50.2 | Low | 50 | Low | 161 Ų | 161 | 102.8 Ų | 102.8 | 70% | 0.7 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.7 | -38.3 | 172.3 | -77.8 | 177.8 | 179.7 | -176.8 | 0 | 112.2 | N38 N39 I40 | N38-K42 WeakPolarHBondContact O-CB 3.33Å; N38-K42 VanDerWaalsContact O-CG 3.29Å; N38-K42 WeakPolarHBondContact O-CG 3.44Å; N38-K42 PolarHBondContact O-N 3.41Å; N39-K42 PolarHBondContact O-N 3.34Å; I40-K42 VanDerWaalsContact C-N 3.34Å; I40-K42 PolarHBondContact O-N 3.42Å |
| 43 | N | 45.3 | Very low | 49.8 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80 | -24.1 | -179.8 | -72.5 | -11.4 | 0 | 0 | 0 | 112.8 | N39 I40 N45 | N39-N43 WeakPolarHBondContact O-CB 3.46Å; N39-N43 VanDerWaalsContact O-CG 3.29Å; N39-N43 PolarHBondContact O-N 3.44Å; I40-N43 PolarHBondContact O-N 3.1Å; N43-N45 PolarHBondContact O-N 3.47Å |
| 44 | I | 45.2 | Very low | 49.7 | Very low | 74 Ų | 74 | 104.9 Ų | 104.9 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -65.6 | 91.2 | 154.7 | -63.5 | 161.8 | 0 | 0 | 0 | 103.6 | I40 L47 | I40-I44 HydrophobicContact CG2-CD1 3.8Å; I40-I44 HydrophobicContact CG2-CG1 4.37Å; I40-I44 WeakPolarHBondContact O-CB 3.47Å; I40-I44 WeakPolarHBondContact O-CD1 3.36Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3Å; I44-L47 HydrophobicContact CG2-CD1 3.87Å; I44-L47 HydrophobicContact CG2-CG 4.32Å |
| 45 | N | 45 | Very low | 49.6 | Very low | 137 Ų | 137 | 104.6 Ų | 104.6 | 73% | 0.733 | 53% | 0.528 | S | S | * | . | trans | -32 | 121.5 | 155.8 | -91.8 | -21.3 | 0 | 0 | 0 | 105 | N43 L47 | N43-N45 PolarHBondContact O-N 3.47Å; N45-L47 WeakPolarHBondContact O-CA 3.35Å; N45-L47 PolarHBondContact O-N 3.49Å | ||
| 46 | P | 46.8 | Very low | 49.3 | Very low | 116 Ų | 116 | 101.3 Ų | 101.3 | 75% | 0.753 | 52% | 0.519 | S | S | * | . | trans | -50.8 | 100.7 | -176.8 | 19.1 | -30.9 | 0 | 0 | 0 | 104.8 | P48 | P46-P48 WeakPolarHBondContact O-CA 3.46Š| ||
| 47 | L | 47.2 | Very low | 48.9 | Very low | 119 Ų | 119 | 101.3 Ų | 101.3 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | trans | -47.5 | 123.4 | 176.7 | -95 | 147 | 0 | 0 | 0 | 100.5 | I44 N45 Y49 | I44-L47 HydrophobicContact CG2-CD1 3.87Å; I44-L47 HydrophobicContact CG2-CG 4.32Å; N45-L47 WeakPolarHBondContact O-CA 3.35Å; N45-L47 PolarHBondContact O-N 3.49Å; L47-Y49 WeakPolarHBondContact O-CA 3.49Å; L47-Y49 VanDerWaalsContact O-CB 3.25Å; L47-Y49 WeakPolarHBondContact O-CB 3.46Å; L47-Y49 PolarHBondContact O-N 3.43Å | ||
| 48 | P | 45 | Very low | 48.9 | Very low | 56 Ų | 56 | 105.4 Ų | 105.4 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | trans | -73 | 73.6 | -158.8 | 30.6 | -37.8 | 0 | 0 | 0 | 106.3 | P46 Y50 Q51 I52 | P46-P48 WeakPolarHBondContact O-CA 3.46Å; P48-Y50 VanDerWaalsContact C-N 3.26Å; P48-Y50 PolarHBondContact O-N 3.32Å; P48-Q51 HydrophobicContact CB-CB 3.81Å; P48-Q51 HydrophobicContact CB-CG 3.8Å; P48-Q51 VanDerWaalsContact CB-OE1 3.24Å; P48-Q51 HydrophobicContact CG-CB 4.47Å; P48-Q51 CarbonylContact O-C 3.59Å; P48-Q51 WeakPolarHBondContact O-CA 3.32Å; P48-Q51 WeakPolarHBondContact O-CB 3.05Å; P48-Q51 PolarHBondContact O-N 2.78Å; P48-I52 HydrophobicContact CG-CD1 4.45Å; P48-I52 WeakPolarHBondContact O-CG1 3.44Å; P48-I52 PolarHBondContact O-N 2.79Å | ||
| 49 | Y | 40.8 | Very low | 49 | Very low | 145 Ų | 145 | 107.2 Ų | 107.2 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.1 | -33.8 | -164.4 | 172.8 | -103.8 | 0 | 0 | 0 | 105.6 | L47 L53 | L47-Y49 WeakPolarHBondContact O-CA 3.49Å; L47-Y49 VanDerWaalsContact O-CB 3.25Å; L47-Y49 WeakPolarHBondContact O-CB 3.46Å; L47-Y49 PolarHBondContact O-N 3.43Å; Y49-L53 HydrophobicContact CD1-CD1 3.57Å; Y49-L53 HydrophobicContact CD1-CG 4.21Å; Y49-L53 HydrophobicContact CD2-CD1 4.47Å; Y49-L53 HydrophobicContact CD2-CG 4.32Å; Y49-L53 HydrophobicContact CE1-CD1 3.09Å; Y49-L53 HydrophobicContact CE1-CG 3.93Å; Y49-L53 HydrophobicContact CE2-CD1 4.07Å; Y49-L53 HydrophobicContact CE2-CD2 4.41Å; Y49-L53 HydrophobicContact CE2-CG 4.01Å; Y49-L53 HydrophobicContact CG-CD1 4.24Å; Y49-L53 HydrophobicContact CG-CG 4.41Å; Y49-L53 WeakPolarHBondContact O-CA 3.28Å; Y49-L53 WeakPolarHBondContact O-CB 3.34Å; Y49-L53 WeakPolarHBondContact O-CG 3.28Å; Y49-L53 PolarHBondContact O-N 3.5Å |
| 50 | Y | 40.4 | Very low | 48.8 | Very low | 187 Ų | 187 | 108.6 Ų | 108.6 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 162.3 | -74.5 | -73.6 | 0 | 0 | 0 | 113.4 | P48 N54 | P48-Y50 VanDerWaalsContact C-N 3.26Å; P48-Y50 PolarHBondContact O-N 3.32Å; Y50-N54 WeakPolarHBondContact O-CA 3.32Å; Y50-N54 WeakPolarHBondContact O-CB 3.25Å; Y50-N54 PolarHBondContact O-N 2.85Å |
| 51 | Q | 51.2 | Low | 48.6 | Very low | 137 Ų | 137 | 106.9 Ų | 106.9 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.8 | -42.1 | 176.3 | -58.8 | 177.3 | -16.9 | 0 | 0 | 111.6 | P48 N54 E55 | P48-Q51 HydrophobicContact CB-CB 3.81Å; P48-Q51 HydrophobicContact CB-CG 3.8Å; P48-Q51 VanDerWaalsContact CB-OE1 3.24Å; P48-Q51 HydrophobicContact CG-CB 4.47Å; P48-Q51 CarbonylContact O-C 3.59Å; P48-Q51 WeakPolarHBondContact O-CA 3.32Å; P48-Q51 WeakPolarHBondContact O-CB 3.05Å; P48-Q51 PolarHBondContact O-N 2.78Å; Q51-N54 PolarHBondContact O-N 3.45Å; Q51-E55 WeakPolarHBondContact O-CB 3.17Å; Q51-E55 PolarHBondContact O-N 3.5Å |
| 52 | I | 51.6 | Low | 48.6 | Very low | 85 Ų | 85 | 104.8 Ų | 104.8 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.5 | -64.3 | 167.7 | 0 | 0 | 0 | 109.3 | P48 E55 V56 | P48-I52 HydrophobicContact CG-CD1 4.45Å; P48-I52 WeakPolarHBondContact O-CG1 3.44Å; P48-I52 PolarHBondContact O-N 2.79Å; I52-E55 PolarHBondContact O-N 3.31Å; I52-V56 HydrophobicContact CG2-CG2 3.99Å; I52-V56 WeakPolarHBondContact O-CA 3.35Å; I52-V56 WeakPolarHBondContact O-CB 3.26Å; I52-V56 WeakPolarHBondContact O-CG2 3.49Å; I52-V56 PolarHBondContact O-N 3.31Å |
| 53 | L | 49.7 | Very low | 48.6 | Very low | 71 Ų | 71 | 99.7 Ų | 99.7 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -40 | 172.9 | -80.1 | 176.9 | 0 | 0 | 0 | 111.4 | Y49 S57 | Y49-L53 HydrophobicContact CD1-CD1 3.57Å; Y49-L53 HydrophobicContact CD1-CG 4.21Å; Y49-L53 HydrophobicContact CD2-CD1 4.47Å; Y49-L53 HydrophobicContact CD2-CG 4.32Å; Y49-L53 HydrophobicContact CE1-CD1 3.09Å; Y49-L53 HydrophobicContact CE1-CG 3.93Å; Y49-L53 HydrophobicContact CE2-CD1 4.07Å; Y49-L53 HydrophobicContact CE2-CD2 4.41Å; Y49-L53 HydrophobicContact CE2-CG 4.01Å; Y49-L53 HydrophobicContact CG-CD1 4.24Å; Y49-L53 HydrophobicContact CG-CG 4.41Å; Y49-L53 WeakPolarHBondContact O-CA 3.28Å; Y49-L53 WeakPolarHBondContact O-CB 3.34Å; Y49-L53 WeakPolarHBondContact O-CG 3.28Å; Y49-L53 PolarHBondContact O-N 3.5Å; L53-S57 WeakPolarHBondContact O-CA 3.41Å; L53-S57 WeakPolarHBondContact O-CB 3.5Å; L53-S57 PolarHBondContact O-N 3.43Å; L53-S57 PolarHBondContact O-OG 3.25Å |
| 54 | N | 51.9 | Low | 48.8 | Very low | 105 Ų | 105 | 99.9 Ų | 99.9 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 175.8 | -81.9 | -4.4 | 0 | 0 | 0 | 110.8 | Y50 Q51 S57 H58 | Y50-N54 WeakPolarHBondContact O-CA 3.32Å; Y50-N54 WeakPolarHBondContact O-CB 3.25Å; Y50-N54 PolarHBondContact O-N 2.85Å; Q51-N54 PolarHBondContact O-N 3.45Å; N54-S57 WeakPolarHBondContact CA-OG 3.4Å; N54-S57 PolarHBondContact O-OG 2.83Å; N54-S57 VanDerWaalsContact O-OG 3.12Å; N54-H58 WeakPolarHBondContact O-CA 3.32Å; N54-H58 WeakPolarHBondContact O-CB 3.45Å; N54-H58 PolarHBondContact O-N 3.33Å |
| 55 | E | 52.3 | Low | 48.8 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.5 | -39.5 | -179.6 | -156.9 | -170.7 | 172.6 | 0 | 0 | 111.3 | Q51 I52 K59 | Q51-E55 WeakPolarHBondContact O-CB 3.17Å; Q51-E55 PolarHBondContact O-N 3.5Å; I52-E55 PolarHBondContact O-N 3.31Å; E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 WeakPolarHBondContact O-CB 3.49Å; E55-K59 WeakPolarHBondContact O-CG 3.42Å; E55-K59 PolarHBondContact O-N 2.8Å; E55-K59 WeakPolarHBondContact OE1-CE 3.29Å; E55-K59 IonicContact OE1-NZ 2.76Å; E55-K59 PolarHBondContact OE1-NZ 3.27Å |
| 56 | V | 51.2 | Low | 49 | Very low | 70 Ų | 70 | 100.9 Ų | 100.9 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 173.5 | 171 | 0 | 0 | 0 | 0 | 110.2 | I52 K59 L60 | I52-V56 HydrophobicContact CG2-CG2 3.99Å; I52-V56 WeakPolarHBondContact O-CA 3.35Å; I52-V56 WeakPolarHBondContact O-CB 3.26Å; I52-V56 WeakPolarHBondContact O-CG2 3.49Å; I52-V56 PolarHBondContact O-N 3.31Å; V56-K59 PolarHBondContact O-N 3.49Å; V56-L60 HydrophobicContact CG1-CD1 3.57Å; V56-L60 HydrophobicContact CG1-CG 4.16Å; V56-L60 WeakPolarHBondContact O-CA 3.42Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 2.85Å |
| 57 | S | 50.8 | Low | 48.7 | Very low | 60 Ų | 60 | 101.9 Ų | 101.9 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.3 | -36.5 | 176 | 69 | 0 | 0 | 0 | 0 | 111.8 | L53 N54 S61 | L53-S57 WeakPolarHBondContact O-CA 3.41Å; L53-S57 WeakPolarHBondContact O-CB 3.5Å; L53-S57 PolarHBondContact O-N 3.43Å; L53-S57 PolarHBondContact O-OG 3.25Å; N54-S57 WeakPolarHBondContact CA-OG 3.4Å; N54-S57 PolarHBondContact O-OG 2.83Å; N54-S57 VanDerWaalsContact O-OG 3.12Å; S57-S61 WeakPolarHBondContact O-CA 3.37Å; S57-S61 WeakPolarHBondContact O-CB 3.42Å; S57-S61 PolarHBondContact O-N 2.86Å; S57-S61 PolarHBondContact O-OG 3.34Å |
| 58 | H | 49.9 | Very low | 48.6 | Very low | 133 Ų | 133 | 98.4 Ų | 98.4 | 62% | 0.616 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.7 | -40.4 | 174.7 | -172.5 | -86.6 | 0 | 0 | 0 | 111.4 | N54 S61 S62 | N54-H58 WeakPolarHBondContact O-CA 3.32Å; N54-H58 WeakPolarHBondContact O-CB 3.45Å; N54-H58 PolarHBondContact O-N 3.33Å; H58-S61 WeakPolarHBondContact CA-OG 3.08Å; H58-S61 PolarHBondContact O-OG 2.81Å; H58-S62 WeakPolarHBondContact O-CB 3.26Å; H58-S62 PolarHBondContact O-N 3.41Å |
| 59 | K | 55 | Low | 48.6 | Very low | 117 Ų | 117 | 100.7 Ų | 100.7 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 173 | -76.1 | 175.1 | -175 | 166.1 | 0 | 111.5 | E55 V56 S63 | E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 WeakPolarHBondContact O-CB 3.49Å; E55-K59 WeakPolarHBondContact O-CG 3.42Å; E55-K59 PolarHBondContact O-N 2.8Å; E55-K59 WeakPolarHBondContact OE1-CE 3.29Å; E55-K59 IonicContact OE1-NZ 2.76Å; E55-K59 PolarHBondContact OE1-NZ 3.27Å; V56-K59 PolarHBondContact O-N 3.49Å; K59-S63 VanDerWaalsContact O-CB 3.23Å; K59-S63 WeakPolarHBondContact O-CB 3.41Å; K59-S63 PolarHBondContact O-N 3.19Å; K59-S63 PolarHBondContact O-OG 3.39Å |
| 60 | L | 52.6 | Low | 48.8 | Very low | 96 Ų | 96 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 174.6 | -79.2 | 168.3 | 0 | 0 | 0 | 111.2 | V56 S63 L64 | V56-L60 HydrophobicContact CG1-CD1 3.57Å; V56-L60 HydrophobicContact CG1-CG 4.16Å; V56-L60 WeakPolarHBondContact O-CA 3.42Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 2.85Å; L60-S63 CarbonylContact O-C 3.58Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-L64 WeakPolarHBondContact O-CA 3.39Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.42Å; L60-L64 PolarHBondContact O-N 3.32Å |
| 61 | S | 49.7 | Very low | 48.9 | Very low | 52 Ų | 52 | 92.5 Ų | 92.5 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 177 | 72.1 | 0 | 0 | 0 | 0 | 111 | S57 H58 L64 N65 | S57-S61 WeakPolarHBondContact O-CA 3.37Å; S57-S61 WeakPolarHBondContact O-CB 3.42Å; S57-S61 PolarHBondContact O-N 2.86Å; S57-S61 PolarHBondContact O-OG 3.34Å; H58-S61 WeakPolarHBondContact CA-OG 3.08Å; H58-S61 PolarHBondContact O-OG 2.81Å; S61-L64 PolarHBondContact O-N 3.2Å; S61-N65 WeakPolarHBondContact O-CB 3.42Å; S61-N65 VanDerWaalsContact O-CG 3.31Å; S61-N65 PolarHBondContact O-N 2.83Å |
| 62 | S | 49.7 | Very low | 48.8 | Very low | 68 Ų | 68 | 89.3 Ų | 89.3 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 168.9 | 160.6 | 0 | 0 | 0 | 0 | 111.2 | H58 N65 Y66 | H58-S62 WeakPolarHBondContact O-CB 3.26Å; H58-S62 PolarHBondContact O-N 3.41Å; S62-N65 PolarHBondContact O-N 3.42Å; S62-Y66 WeakPolarHBondContact O-CB 3.44Å; S62-Y66 PolarHBondContact O-N 3.38Å |
| 63 | S | 49.8 | Very low | 48.6 | Very low | 53 Ų | 53 | 91.1 Ų | 91.1 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 179 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | K59 L60 Y66 F67 | K59-S63 VanDerWaalsContact O-CB 3.23Å; K59-S63 WeakPolarHBondContact O-CB 3.41Å; K59-S63 PolarHBondContact O-N 3.19Å; K59-S63 PolarHBondContact O-OG 3.39Å; L60-S63 CarbonylContact O-C 3.58Å; L60-S63 PolarHBondContact O-N 3.46Å; S63-Y66 CarbonylContact O-C 3.56Å; S63-Y66 WeakPolarHBondContact O-CB 3.38Å; S63-Y66 PolarHBondContact O-N 3.02Å; S63-F67 WeakPolarHBondContact O-CB 3.29Å; S63-F67 WeakPolarHBondContact O-CD2 3.36Å; S63-F67 PolarHBondContact O-N 3.33Å |
| 64 | L | 48.3 | Very low | 48.3 | Very low | 110 Ų | 110 | 92.4 Ų | 92.4 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.6 | -33.5 | 177.3 | -76.3 | 169 | 0 | 0 | 0 | 111.3 | L60 S61 F67 A68 | L60-L64 WeakPolarHBondContact O-CA 3.39Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.42Å; L60-L64 PolarHBondContact O-N 3.32Å; S61-L64 PolarHBondContact O-N 3.2Å; L64-F67 CarbonylContact O-C 3.58Å; L64-F67 PolarHBondContact O-N 3.36Å; L64-A68 WeakPolarHBondContact O-CA 3.37Å; L64-A68 WeakPolarHBondContact O-CB 3.48Å; L64-A68 PolarHBondContact O-N 3.42Å |
| 65 | N | 45.7 | Very low | 48.1 | Very low | 102 Ų | 102 | 91.1 Ų | 91.1 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 170.3 | -82.7 | -20 | 0 | 0 | 0 | 110.8 | S61 S62 A68 N69 | S61-N65 WeakPolarHBondContact O-CB 3.42Å; S61-N65 VanDerWaalsContact O-CG 3.31Å; S61-N65 PolarHBondContact O-N 2.83Å; S62-N65 PolarHBondContact O-N 3.42Å; N65-A68 PolarHBondContact O-N 2.8Å; N65-N69 VanDerWaalsContact O-CB 3.23Å; N65-N69 WeakPolarHBondContact O-CB 3.29Å; N65-N69 VanDerWaalsContact O-CG 3.31Å; N65-N69 PolarHBondContact O-N 3.5Å; N65-N69 PolarHBondContact O-ND2 3.19Å |
| 66 | Y | 49.4 | Very low | 47.8 | Very low | 130 Ų | 130 | 91.8 Ų | 91.8 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 171.1 | -175.3 | -94.4 | 0 | 0 | 0 | 110.5 | S62 S63 N69 Y70 | S62-Y66 WeakPolarHBondContact O-CB 3.44Å; S62-Y66 PolarHBondContact O-N 3.38Å; S63-Y66 CarbonylContact O-C 3.56Å; S63-Y66 WeakPolarHBondContact O-CB 3.38Å; S63-Y66 PolarHBondContact O-N 3.02Å; Y66-N69 PolarHBondContact O-N 2.86Å; Y66-Y70 AromaticContact CD1-CD2 3.84Å; Y66-Y70 HydrophobicContact CD1-CD2 3.84Å; Y66-Y70 HydrophobicContact CD1-CE2 4.29Å; Y66-Y70 HydrophobicContact CD2-CD2 4.28Å; Y66-Y70 HydrophobicContact CD2-CE2 4.37Å; Y66-Y70 AromaticContact CE1-CD2 3.44Å; Y66-Y70 HydrophobicContact CE1-CD2 3.44Å; Y66-Y70 VanDerWaalsContact CE1-CD2 3.44Å; Y66-Y70 AromaticContact CE1-CE2 3.48Å; Y66-Y70 HydrophobicContact CE1-CE2 3.48Å; Y66-Y70 VanDerWaalsContact CE1-CE2 3.48Å; Y66-Y70 HydrophobicContact CE1-CG 4.22Å; Y66-Y70 AromaticContact CE2-CD2 3.94Å; Y66-Y70 HydrophobicContact CE2-CD2 3.94Å; Y66-Y70 AromaticContact CE2-CE2 3.6Å; Y66-Y70 HydrophobicContact CE2-CE2 3.6Å; Y66-Y70 HydrophobicContact CG-CD2 4.26Å; Y66-Y70 AromaticContact CZ-CD2 3.53Å; Y66-Y70 AromaticContact CZ-CE2 3.09Å; Y66-Y70 AromaticContact CZ-CZ 3.89Å; Y66-Y70 VanDerWaalsContact O-CB 3.25Å; Y66-Y70 WeakPolarHBondContact O-CB 3.1Å; Y66-Y70 PolarHBondContact O-N 2.85Å; Y66-Y70 WeakPolarHBondContact OH-CE2 3.43Å; Y66-Y70 PolarHBondContact OH-OH 2.81Å |
| 67 | F | 41.3 | Very low | 47.7 | Very low | 138 Ų | 138 | 92.8 Ų | 92.8 | 61% | 0.605 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.5 | -32.8 | 176.1 | -84.4 | -67.6 | 0 | 0 | 0 | 113.2 | S63 L64 Y70 S71 | S63-F67 WeakPolarHBondContact O-CB 3.29Å; S63-F67 WeakPolarHBondContact O-CD2 3.36Å; S63-F67 PolarHBondContact O-N 3.33Å; L64-F67 CarbonylContact O-C 3.58Å; L64-F67 PolarHBondContact O-N 3.36Å; F67-Y70 CarbonylContact O-C 3.59Å; F67-Y70 PolarHBondContact O-N 3.45Å; F67-S71 WeakPolarHBondContact O-CA 3.07Å; F67-S71 WeakPolarHBondContact O-CB 3.43Å; F67-S71 PolarHBondContact O-N 3.4Å; F67-S71 PolarHBondContact O-OG 2.85Å |
| 68 | A | 43.7 | Very low | 47.5 | Very low | 45 Ų | 45 | 97.3 Ų | 97.3 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L64 N65 Y70 S71 S72 | L64-A68 WeakPolarHBondContact O-CA 3.37Å; L64-A68 WeakPolarHBondContact O-CB 3.48Å; L64-A68 PolarHBondContact O-N 3.42Å; N65-A68 PolarHBondContact O-N 2.8Å; A68-Y70 VanDerWaalsContact C-N 3.35Å; A68-S71 PolarHBondContact O-N 2.85Å; A68-S71 PolarHBondContact O-OG 3.32Å; A68-S72 PolarHBondContact O-N 3.27Å; A68-S72 PolarHBondContact O-OG 3.43Å |
| 69 | N | 46.1 | Very low | 47.5 | Very low | 105 Ų | 105 | 96.7 Ų | 96.7 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.7 | -32 | 172.6 | -73.1 | -16.8 | 0 | 0 | 0 | 112.5 | N65 Y66 S72 N73 | N65-N69 VanDerWaalsContact O-CB 3.23Å; N65-N69 WeakPolarHBondContact O-CB 3.29Å; N65-N69 VanDerWaalsContact O-CG 3.31Å; N65-N69 PolarHBondContact O-N 3.5Å; N65-N69 PolarHBondContact O-ND2 3.19Å; Y66-N69 PolarHBondContact O-N 2.86Å; N69-S72 WeakPolarHBondContact CA-OG 3.36Å; N69-S72 PolarHBondContact O-OG 2.76Å; N69-N73 WeakPolarHBondContact O-CB 3.36Å; N69-N73 PolarHBondContact O-N 3.27Å; N69-N73 VanDerWaalsContact O-N 3.12Å; N69-N73 PolarHBondContact O-ND2 2.88Å |
| 70 | Y | 44.6 | Very low | 47.2 | Very low | 89 Ų | 89 | 97.3 Ų | 97.3 | 35% | 0.349 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.1 | -35.2 | 171.8 | -106.6 | -95.9 | 0 | 0 | 0 | 111.9 | Y66 F67 A68 N73 Y74 | Y66-Y70 AromaticContact CD1-CD2 3.84Å; Y66-Y70 HydrophobicContact CD1-CD2 3.84Å; Y66-Y70 HydrophobicContact CD1-CE2 4.29Å; Y66-Y70 HydrophobicContact CD2-CD2 4.28Å; Y66-Y70 HydrophobicContact CD2-CE2 4.37Å; Y66-Y70 AromaticContact CE1-CD2 3.44Å; Y66-Y70 HydrophobicContact CE1-CD2 3.44Å; Y66-Y70 VanDerWaalsContact CE1-CD2 3.44Å; Y66-Y70 AromaticContact CE1-CE2 3.48Å; Y66-Y70 HydrophobicContact CE1-CE2 3.48Å; Y66-Y70 VanDerWaalsContact CE1-CE2 3.48Å; Y66-Y70 HydrophobicContact CE1-CG 4.22Å; Y66-Y70 AromaticContact CE2-CD2 3.94Å; Y66-Y70 HydrophobicContact CE2-CD2 3.94Å; Y66-Y70 AromaticContact CE2-CE2 3.6Å; Y66-Y70 HydrophobicContact CE2-CE2 3.6Å; Y66-Y70 HydrophobicContact CG-CD2 4.26Å; Y66-Y70 AromaticContact CZ-CD2 3.53Å; Y66-Y70 AromaticContact CZ-CE2 3.09Å; Y66-Y70 AromaticContact CZ-CZ 3.89Å; Y66-Y70 VanDerWaalsContact O-CB 3.25Å; Y66-Y70 WeakPolarHBondContact O-CB 3.1Å; Y66-Y70 PolarHBondContact O-N 2.85Å; Y66-Y70 WeakPolarHBondContact OH-CE2 3.43Å; Y66-Y70 PolarHBondContact OH-OH 2.81Å; F67-Y70 CarbonylContact O-C 3.59Å; F67-Y70 PolarHBondContact O-N 3.45Å; A68-Y70 VanDerWaalsContact C-N 3.35Å; Y70-N73 CarbonylContact O-C 3.58Å; Y70-N73 PolarHBondContact O-N 3.28Å; Y70-Y74 HydrophobicContact CD1-CD2 4.11Å; Y70-Y74 AromaticContact CD1-CE2 3.42Å; Y70-Y74 HydrophobicContact CD1-CE2 3.42Å; Y70-Y74 VanDerWaalsContact CD1-CE2 3.42Å; Y70-Y74 AromaticContact CD1-CZ 3.84Å; Y70-Y74 HydrophobicContact CE1-CE2 4.04Å; Y70-Y74 HydrophobicContact CG-CE2 4.49Å; Y70-Y74 WeakPolarHBondContact O-CB 3.04Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.46Å; Y70-Y74 PolarHBondContact O-N 3.47Å |
| 71 | S | 43.3 | Very low | 46.9 | Very low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.1 | -27.5 | 177.9 | 78 | 0 | 0 | 0 | 0 | 112.4 | F67 A68 | F67-S71 WeakPolarHBondContact O-CA 3.07Å; F67-S71 WeakPolarHBondContact O-CB 3.43Å; F67-S71 PolarHBondContact O-N 3.4Å; F67-S71 PolarHBondContact O-OG 2.85Å; A68-S71 PolarHBondContact O-N 2.85Å; A68-S71 PolarHBondContact O-OG 3.32Å |
| 72 | S | 47.8 | Very low | 46.6 | Very low | 71 Ų | 71 | 105.4 Ų | 105.4 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.6 | -37.6 | 168 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | A68 N69 Y74 | A68-S72 PolarHBondContact O-N 3.27Å; A68-S72 PolarHBondContact O-OG 3.43Å; N69-S72 WeakPolarHBondContact CA-OG 3.36Å; N69-S72 PolarHBondContact O-OG 2.76Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 2.77Å |
| 73 | N | 47.7 | Very low | 46.3 | Very low | 123 Ų | 123 | 104.5 Ų | 104.5 | 66% | 0.658 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.8 | -25.5 | 173.3 | -76 | -15.6 | 0 | 0 | 0 | 113.5 | N69 Y70 S75 | N69-N73 WeakPolarHBondContact O-CB 3.36Å; N69-N73 PolarHBondContact O-N 3.27Å; N69-N73 VanDerWaalsContact O-N 3.12Å; N69-N73 PolarHBondContact O-ND2 2.88Å; Y70-N73 CarbonylContact O-C 3.58Å; Y70-N73 PolarHBondContact O-N 3.28Å; N73-S75 VanDerWaalsContact C-N 3.28Å; N73-S75 PolarHBondContact O-N 3.29Å |
| 74 | Y | 44.6 | Very low | 46.1 | Very low | 98 Ų | 98 | 109.9 Ų | 109.9 | 38% | 0.384 | 53% | 0.534 | S | S | . | . | trans | -91.6 | 57.7 | 173.2 | -66.5 | -44.9 | 0 | 0 | 0 | 112.6 | Y70 S72 W76 L77 | Y70-Y74 HydrophobicContact CD1-CD2 4.11Å; Y70-Y74 AromaticContact CD1-CE2 3.42Å; Y70-Y74 HydrophobicContact CD1-CE2 3.42Å; Y70-Y74 VanDerWaalsContact CD1-CE2 3.42Å; Y70-Y74 AromaticContact CD1-CZ 3.84Å; Y70-Y74 HydrophobicContact CE1-CE2 4.04Å; Y70-Y74 HydrophobicContact CG-CE2 4.49Å; Y70-Y74 WeakPolarHBondContact O-CB 3.04Å; Y70-Y74 WeakPolarHBondContact O-CD2 3.46Å; Y70-Y74 PolarHBondContact O-N 3.47Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 2.77Å; Y74-W76 AromaticContact CD1-CD1 3.38Å; Y74-W76 AromaticContact CD1-NE1 2.84Å; Y74-W76 AromaticContact CE1-NE1 3.48Å; Y74-W76 AromaticContact CG-CD1 3.93Å; Y74-W76 AromaticContact CG-NE1 3.35Å; Y74-W76 VanDerWaalsContact CG-NE1 3.35Å; Y74-W76 PolarHBondContact O-N 3.44Å; Y74-L77 HydrophobicContact CD2-CD1 4.29Å; Y74-L77 HydrophobicContact CG-CD1 4.38Å; Y74-L77 WeakPolarHBondContact O-CB 3.16Å; Y74-L77 PolarHBondContact O-N 3.35Å | ||
| 75 | S | 46.4 | Very low | 45.8 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -48.5 | -30.9 | 166.2 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | N73 L77 K78 Q79 | N73-S75 VanDerWaalsContact C-N 3.28Å; N73-S75 PolarHBondContact O-N 3.29Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 2.82Å; S75-K78 CarbonylContact O-C 3.59Å; S75-K78 WeakPolarHBondContact O-CB 2.99Å; S75-K78 PolarHBondContact O-N 3.27Å; S75-Q79 WeakPolarHBondContact O-CB 3.36Å; S75-Q79 PolarHBondContact O-N 3.48Å |
| 76 | W | 47.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 45% | 0.451 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -31.9 | 175.2 | 76.8 | -93.3 | 0 | 0 | 0 | 114.1 | Y74 Q79 K80 | Y74-W76 AromaticContact CD1-CD1 3.38Å; Y74-W76 AromaticContact CD1-NE1 2.84Å; Y74-W76 AromaticContact CE1-NE1 3.48Å; Y74-W76 AromaticContact CG-CD1 3.93Å; Y74-W76 AromaticContact CG-NE1 3.35Å; Y74-W76 VanDerWaalsContact CG-NE1 3.35Å; Y74-W76 PolarHBondContact O-N 3.44Å; W76-Q79 PolarHBondContact O-N 3.21Å; W76-K80 HydrophobicContact CE3-CD 4.42Å; W76-K80 HydrophobicContact CZ3-CD 4.23Å; W76-K80 PolarHBondContact O-N 2.88Å |
| 77 | L | 47.9 | Very low | 44.9 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72 | -40.6 | 175.1 | -89.6 | 163.4 | 0 | 0 | 0 | 111.1 | Y74 S75 Q79 R81 | Y74-L77 HydrophobicContact CD2-CD1 4.29Å; Y74-L77 HydrophobicContact CG-CD1 4.38Å; Y74-L77 WeakPolarHBondContact O-CB 3.16Å; Y74-L77 PolarHBondContact O-N 3.35Å; S75-L77 VanDerWaalsContact C-N 3.34Å; S75-L77 PolarHBondContact O-N 2.82Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-R81 PolarHBondContact O-N 2.87Å |
| 78 | K | 47.6 | Very low | 44.6 | Very low | 156 Ų | 156 | 119.4 Ų | 119.4 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -41.1 | 168.6 | -93.9 | -177.5 | 176.9 | 176.6 | 0 | 110.8 | S75 R81 N82 | S75-K78 CarbonylContact O-C 3.59Å; S75-K78 WeakPolarHBondContact O-CB 2.99Å; S75-K78 PolarHBondContact O-N 3.27Å; K78-R81 PolarHBondContact O-N 3.43Å; K78-N82 PolarHBondContact O-N 3.21Å; K78-N82 VanDerWaalsContact O-N 3.17Å |
| 79 | Q | 50 | Low | 44 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 56% | 0.556 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -42.1 | -179.5 | -163.6 | 174.2 | 9.9 | 0 | 0 | 111.7 | S75 W76 L77 R81 N82 T83 | S75-Q79 WeakPolarHBondContact O-CB 3.36Å; S75-Q79 PolarHBondContact O-N 3.48Å; W76-Q79 PolarHBondContact O-N 3.21Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 2.71Å; Q79-N82 CarbonylContact O-C 3.57Å; Q79-N82 PolarHBondContact O-N 2.96Å; Q79-T83 HydrophobicContact CG-CG2 4.03Å; Q79-T83 WeakPolarHBondContact O-CG2 3.17Å; Q79-T83 PolarHBondContact O-N 3.3Å; Q79-T83 PolarHBondContact O-OG1 3.18Å; Q79-T83 VanDerWaalsContact O-OG1 3.05Å |
| 80 | K | 49 | Very low | 43.2 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.7 | -31.4 | 176.3 | -114.7 | -175 | -179 | 176.5 | 0 | 113.2 | W76 T83 K84 | W76-K80 HydrophobicContact CE3-CD 4.42Å; W76-K80 HydrophobicContact CZ3-CD 4.23Å; W76-K80 PolarHBondContact O-N 2.88Å; K80-T83 WeakPolarHBondContact CA-OG1 3.45Å; K80-K84 PolarHBondContact O-N 3.32Å |
| 81 | R | 46.1 | Very low | 43.2 | Very low | 206 Ų | 206 | 128.7 Ų | 128.7 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.5 | -38.5 | 171.4 | -94.9 | -174.8 | 173.1 | 152 | -0.7 | 111.9 | L77 K78 Q79 | L77-R81 PolarHBondContact O-N 2.87Å; K78-R81 PolarHBondContact O-N 3.43Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 2.71Å |
| 82 | N | 42.1 | Very low | 42.5 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.8 | -29.6 | -179 | -69.3 | -12.2 | 0 | 0 | 0 | 113.7 | K78 Q79 L85 | K78-N82 PolarHBondContact O-N 3.21Å; K78-N82 VanDerWaalsContact O-N 3.17Å; Q79-N82 CarbonylContact O-C 3.57Å; Q79-N82 PolarHBondContact O-N 2.96Å; N82-L85 PolarHBondContact O-N 2.84Å |
| 83 | T | 44.3 | Very low | 41.6 | Very low | 49 Ų | 49 | 131.6 Ų | 131.6 | 30% | 0.301 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -76.3 | -32.8 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | Q79 K80 L85 R86 H87 | Q79-T83 HydrophobicContact CG-CG2 4.03Å; Q79-T83 WeakPolarHBondContact O-CG2 3.17Å; Q79-T83 PolarHBondContact O-N 3.3Å; Q79-T83 PolarHBondContact O-OG1 3.18Å; Q79-T83 VanDerWaalsContact O-OG1 3.05Å; K80-T83 WeakPolarHBondContact CA-OG1 3.45Å; T83-L85 PolarHBondContact O-N 3.47Å; T83-L85 VanDerWaalsContact O-N 3.15Å; T83-R86 PolarHBondContact O-N 3.2Å; T83-R86 VanDerWaalsContact O-N 3.1Å; T83-H87 PolarHBondContact O-CD2 2.89Å; T83-H87 PolarHBondContact O-N 3.02Å |
| 84 | K | 44.8 | Very low | 40.7 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -59.9 | -24.5 | 171.3 | -80.5 | -170.8 | 176.7 | -173.5 | 0 | 113.3 | K80 | K80-K84 PolarHBondContact O-N 3.32Å |
| 85 | L | 42.1 | Very low | 40 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.6 | -23.4 | 176.7 | -101.1 | 137.3 | 0 | 0 | 0 | 113.8 | N82 T83 | N82-L85 PolarHBondContact O-N 2.84Å; T83-L85 PolarHBondContact O-N 3.47Å; T83-L85 VanDerWaalsContact O-N 3.15Å |
| 86 | R | 37.5 | Very low | 39.2 | Very low | 219 Ų | 219 | 143.7 Ų | 143.7 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -93.3 | -13.6 | -177.9 | -92.2 | -171.7 | -179 | -178.6 | 1.9 | 115.5 | T83 Y88 | T83-R86 PolarHBondContact O-N 3.2Å; T83-R86 VanDerWaalsContact O-N 3.1Å; R86-Y88 PolarHBondContact O-N 3.3Å |
| 87 | H | 39.9 | Very low | 39.3 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | trans | -78.9 | 29.7 | -178.1 | -67.7 | -54.9 | 0 | 0 | 0 | 115.4 | T83 | T83-H87 PolarHBondContact O-CD2 2.89Å; T83-H87 PolarHBondContact O-N 3.02Å | ||
| 88 | Y | 34.1 | Very low | 38.4 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | -111.7 | 39.2 | 170.4 | -79.1 | -81.4 | 0 | 0 | 0 | 112.8 | R86 K113 | R86-Y88 PolarHBondContact O-N 3.3Å; Y88-K113 VanDerWaalsContact CD1-NZ 3.34Å; Y88-K113 VanDerWaalsContact CD2-NZ 3.34Å; Y88-K113 VanDerWaalsContact CE2-CE 3.49Å; Y88-K113 WeakPolarHBondContact OH-CE 3.29Å | ||
| 89 | K | 31.1 | Very low | 37.7 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -121.3 | 106.9 | 156.7 | -81.5 | -168.4 | 175.7 | -173 | 0 | 108.8 | ||
| 90 | S | 30 | Very low | 36.7 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | trans | 28.4 | 156.8 | 154.2 | -102.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 91 | P | 43.7 | Very low | 35.7 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | trans | -110.7 | 140.3 | -145.5 | 39 | -28.6 | 0 | 0 | 0 | 113.9 | ||||
| 92 | S | 28.9 | Very low | 34.8 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -177 | 112.8 | 144 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 93 | S | 28.6 | Very low | 34.8 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | trans | 59.6 | 142.1 | 143 | 60.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 94 | Y | 29.2 | Very low | 34.4 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | 88.9 | 94.4 | 167.4 | -57.5 | -83.2 | 0 | 0 | 0 | 115.5 | ||||
| 95 | L | 28.8 | Very low | 34 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | 77.9 | 102.1 | 79 | -82.8 | 159.9 | 0 | 0 | 0 | 113.6 | |||||
| 96 | F | 31.6 | Very low | 33.8 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | trans | -149.8 | 163.6 | 132.3 | -108.9 | -82.8 | 0 | 0 | 0 | 107.1 | ||||
| 97 | P | 47.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 57% | 0.565 | 76% | 0.759 | S | S | * | * | -130.5 | 106.6 | -118.5 | 27.4 | -2.2 | 0 | 0 | 0 | 110.2 | |||||
| 98 | F | 29.5 | Very low | 33.4 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 77% | 0.768 | 76% | 0.764 | S | S | * | * | trans | -139.6 | 121 | 156.9 | -88.2 | -77.8 | 0 | 0 | 0 | 107.5 | I100 | F98-I100 HydrophobicContact CB-CD1 3.91Å; F98-I100 HydrophobicContact CB-CG1 4.04Å; F98-I100 HydrophobicContact CD1-CD1 4.03Å; F98-I100 HydrophobicContact CG-CD1 4.14Å; F98-I100 PolarHBondContact O-N 3.48Å | ||
| 99 | P | 33.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 79.2 | 164.3 | 30.9 | -30 | 0 | 0 | 0 | 107.5 | ||||
| 100 | I | 28.1 | Very low | 33.7 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | trans | -134.2 | 112.2 | 168 | -54.8 | 167.7 | 0 | 0 | 0 | 103 | F98 | F98-I100 HydrophobicContact CB-CD1 3.91Å; F98-I100 HydrophobicContact CB-CG1 4.04Å; F98-I100 HydrophobicContact CD1-CD1 4.03Å; F98-I100 HydrophobicContact CG-CD1 4.14Å; F98-I100 PolarHBondContact O-N 3.48Å | ||
| 101 | A | 27.7 | Very low | 34.1 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | S | Bend | cis | -159.8 | 170.6 | 12.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 102 | C | 29.2 | Very low | 33.9 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 114.9 | 162.7 | -73.8 | 0 | 0 | 0 | 0 | 116 | S104 | C102-S104 PolarHBondContact O-N 3.32Š| ||
| 103 | S | 41.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -30.8 | 103 | 145.3 | 50.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 104 | S | 36.1 | Very low | 34.7 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 103.2 | 173.4 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | C102 K106 | C102-S104 PolarHBondContact O-N 3.32Å; S104-K106 PolarHBondContact O-N 2.85Å | ||
| 105 | S | 35.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | -33.9 | 116.4 | 129.6 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | R107 | S105-R107 PolarHBondContact O-N 2.64Š| |||
| 106 | K | 38.9 | Very low | 35.4 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -63.8 | 99.4 | -178 | -65.9 | 174.8 | -179.4 | 174.8 | 0 | 109.3 | S104 | S104-K106 PolarHBondContact O-N 2.85Š| ||
| 107 | R | 34.3 | Very low | 35.6 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -104 | 116.2 | 155.6 | -74.9 | -169.7 | -150.7 | 152.3 | 7.6 | 108.7 | S105 L109 | S105-R107 PolarHBondContact O-N 2.64Å; R107-L109 PolarHBondContact O-N 2.88Å | ||
| 108 | N | 32.7 | Very low | 35 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -65.4 | 123.8 | 175 | -64.4 | -40.9 | 0 | 0 | 0 | 109.8 | ||||
| 109 | L | 38 | Very low | 35.4 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -117.7 | 97.4 | 167.7 | -110.8 | 152 | 0 | 0 | 0 | 108.9 | R107 | R107-L109 PolarHBondContact O-N 2.88Š| ||
| 110 | V | 34.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 150 Ų | 150 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 128.4 | 170.7 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 111 | R | 39.1 | Very low | 35.8 | Very low | 239 Ų | 239 | 151.9 Ų | 151.9 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | 167.8 | 147.8 | 151.6 | -101.9 | 168.2 | 174.1 | -174.9 | -1.7 | 110.4 | ||||
| 112 | S | 38 | Very low | 36.2 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -161.5 | 127.4 | -27.4 | 45.8 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 113 | K | 40 | Very low | 36.6 | Very low | 137 Ų | 137 | 158.1 Ų | 158.1 | 60% | 0.596 | 80% | 0.799 | S | S | * | * | trans | -82.9 | 116.7 | -179.6 | -67.2 | 173.7 | 176.3 | 176.2 | 0 | 110.4 | Y88 | Y88-K113 VanDerWaalsContact CD1-NZ 3.34Å; Y88-K113 VanDerWaalsContact CD2-NZ 3.34Å; Y88-K113 VanDerWaalsContact CE2-CE 3.49Å; Y88-K113 WeakPolarHBondContact OH-CE 3.29Å | ||
| 114 | H | 35.5 | Very low | 36.6 | Very low | 180 Ų | 180 | 161.1 Ų | 161.1 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | 164.5 | 124.1 | 156.6 | -105.6 | -58.4 | 0 | 0 | 0 | 105.1 | ||||
| 115 | T | 36.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 163.7 Ų | 163.7 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | -168.6 | 119.2 | 52.4 | 31.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 116 | F | 35.8 | Very low | 36.4 | Very low | 226 Ų | 226 | 166.7 Ų | 166.7 | 99% | 0.991 | 81% | 0.809 | S | S | * | * | trans | -139.6 | 82 | 156.6 | -77.9 | -75.1 | 0 | 0 | 0 | 107.4 | ||||
| 117 | R | 35.6 | Very low | 36.1 | Very low | 223 Ų | 223 | 162.4 Ų | 162.4 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -119.3 | 118.4 | 171.2 | -135.9 | -171.9 | 174.1 | 176.1 | -2.2 | 107.6 | ||||
| 118 | N | 35.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 158.5 Ų | 158.5 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | 73.4 | 91.7 | 150.1 | -54.8 | -12.6 | 0 | 0 | 0 | 119.8 | ||||
| 119 | V | 37.5 | Very low | 35.9 | Very low | 137 Ų | 137 | 159.2 Ų | 159.2 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -134.4 | 59.2 | 147.5 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 120 | L | 34.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -138.8 | 50.9 | 174.6 | -95.9 | 166.2 | 0 | 0 | 0 | 110.3 | ||||
| 121 | H | 36 | Very low | 35.3 | Very low | 177 Ų | 177 | 158.9 Ų | 158.9 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -144 | 3 | 169.4 | -83.7 | -58 | 0 | 0 | 0 | 117 | ||
| 122 | S | 35.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -2.4 | -176.7 | 58.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 123 | K | 37.1 | Very low | 34.3 | Very low | 209 Ų | 209 | 160.3 Ų | 160.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 10.1 | -175.8 | -89.1 | -170.4 | 176.8 | -175.5 | 0 | 116.8 | ||
| 124 | K | 41.3 | Very low | 34.1 | Very low | 191 Ų | 191 | 161.2 Ų | 161.2 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -127.2 | 18.4 | -179 | -131.8 | -178.4 | -175.6 | -176.6 | 0 | 117 | ||
| 125 | L | 36.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 163.1 Ų | 163.1 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -120.4 | 2.3 | -180 | -98.5 | 162 | 0 | 0 | 0 | 116.8 | ||
| 126 | N | 31.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 163.5 Ų | 163.5 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -105.5 | 23.7 | 179.4 | -76.9 | 2.2 | 0 | 0 | 0 | 115.4 | ||
| 127 | S | 31.4 | Very low | 32.9 | Very low | 105 Ų | 105 | 160 Ų | 160 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -126.5 | 14.7 | 172.9 | 82.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 128 | I | 33.9 | Very low | 32.7 | Very low | 143 Ų | 143 | 161.4 Ų | 161.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -114.3 | 68.1 | 171.7 | -50.6 | 176.5 | 0 | 0 | 0 | 107.9 | ||
| 129 | L | 29.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -162.9 | 48.7 | 166.9 | -105.9 | 159.5 | 0 | 0 | 0 | 110.8 | ||||
| 130 | T | 32.6 | Very low | 31.8 | Very low | 138 Ų | 138 | 161.1 Ų | 161.1 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -122.6 | 92.2 | 152.1 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | R132 | T130-R132 PolarHBondContact O-N 3.39Š| ||
| 131 | N | 26.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 162 Ų | 162 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -35.4 | 111.7 | 158.4 | -114.3 | -38.5 | 0 | 0 | 0 | 111.7 | ||||
| 132 | R | 28.9 | Very low | 30.7 | Very low | 232 Ų | 232 | 158.4 Ų | 158.4 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | -164.4 | 116.4 | 127.3 | -112.8 | 175 | -171.2 | 175.8 | 3.1 | 111 | T130 I134 | T130-R132 PolarHBondContact O-N 3.39Å; R132-I134 PolarHBondContact O-N 2.91Å | |||
| 133 | N | 26.8 | Very low | 30.3 | Very low | 145 Ų | 145 | 161.9 Ų | 161.9 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -33.8 | 103.5 | 153.6 | -76.8 | -43 | 0 | 0 | 0 | 112 | ||||
| 134 | I | 35.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 157.6 Ų | 157.6 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 86.1 | 143.5 | -58.5 | 179.8 | 0 | 0 | 0 | 105.4 | R132 T136 | R132-I134 PolarHBondContact O-N 2.91Å; I134-T136 PolarHBondContact O-N 3.44Å | ||
| 135 | R | 26.8 | Very low | 29 | Very low | 219 Ų | 219 | 156.1 Ų | 156.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -50.3 | 126 | 155.9 | -86.3 | 173.1 | 163.8 | 167.2 | -5.9 | 107.5 | ||||
| 136 | T | 29.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | 175.1 | 128 | 115.2 | 31.8 | 0 | 0 | 0 | 0 | 111.4 | I134 | I134-T136 PolarHBondContact O-N 3.44Š| |||
| 137 | N | 27.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 63.5 | 90.7 | 145.3 | -56.5 | -17.2 | 0 | 0 | 0 | 119.9 | ||||
| 138 | R | 30.1 | Very low | 28.2 | Very low | 253 Ų | 253 | 157.1 Ų | 157.1 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | -169.5 | 124.8 | 109.8 | -111.1 | 174.1 | 175.4 | 162.8 | -1.9 | 110.7 | |||||
| 139 | S | 25.7 | Very low | 27.8 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -82.9 | -175.3 | 169 | 82.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 140 | I | 30.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 95.2 | 86.2 | -178.4 | -48.6 | 158.4 | 0 | 0 | 0 | 109.6 | ||||
| 141 | H | 21.2 | Very low | 27.4 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | 66 | 133.3 | 50.2 | -137.7 | 38.7 | 0 | 0 | 0 | 113.8 | |||||
| 142 | S | 26.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 155 Ų | 155 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 80.5 | 140.9 | 175.4 | 86.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 143 | K | 26.3 | Very low | 27.6 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | cis | -167.9 | 143 | 4.3 | -122.8 | 165.7 | -169.8 | -179.1 | 0 | 107.3 | ||||
| 144 | N | 23.3 | Very low | 27.6 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | trans | 49.8 | 131 | 131.5 | -73.8 | 21.3 | 0 | 0 | 0 | 122.6 | ||||
| 145 | E | 27.6 | Very low | 27.2 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 73.7 | 101 | 127.4 | -67.6 | 170.4 | 137.9 | 0 | 0 | 118.4 | |||||
| 146 | T | 25.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -88.3 | 96.5 | 144.2 | 28.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 147 | L | 28.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -79.4 | 117.2 | 157.5 | -163.6 | 96.3 | 0 | 0 | 0 | 106.7 | ||||
| 148 | I | 30.1 | Very low | 27.9 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 82% | 0.821 | 75% | 0.75 | S | S | * | * | trans | -117.6 | 93.2 | 157.6 | -62.2 | 179.6 | 0 | 0 | 0 | 105.9 | ||||
| 149 | D | 25 | Very low | 27.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | trans | -77.7 | 166.8 | 151.1 | -97.6 | -42 | 0 | 0 | 0 | 110.4 | ||||
| 150 | D | 27.9 | Very low | 28 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 92.4 | 101.8 | 167.8 | -62.9 | -28.9 | 0 | 0 | 0 | 117.6 | ||||
| 151 | K | 26.3 | Very low | 27.9 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | 71.5 | 117.5 | 62.3 | -79.3 | -176.4 | 173.6 | 174.1 | 0 | 113.9 | |||||
| 152 | I | 27.4 | Very low | 28.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 81.6 | 112.1 | 135.2 | -58.5 | 163.2 | 0 | 0 | 0 | 117.2 | P154 | I152-P154 HydrophobicContact CG2-CG 3.99Š| ||
| 153 | A | 31.3 | Very low | 28.1 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -83.6 | 138.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 154 | P | 28.7 | Very low | 28.1 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | trans | -132.3 | 130.1 | 144.1 | 21.7 | -0.4 | 0 | 0 | 0 | 110.7 | I152 | I152-P154 HydrophobicContact CG2-CG 3.99Š| ||
| 155 | N | 26.4 | Very low | 28.2 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 72.5 | 113.4 | 98.3 | -57.9 | -24.2 | 0 | 0 | 0 | 112.8 | |||||
| 156 | D | 27.7 | Very low | 28 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | 63 | 136.5 | 91.5 | -119.7 | -10.4 | 0 | 0 | 0 | 112 | |||||
| 157 | P | 37.4 | Very low | 28.2 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | -161.6 | -178.7 | 59 | 37 | -11.7 | 0 | 0 | 0 | 119.4 | |||||
| 158 | T | 34.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 116.1 | 146.7 | 22.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 159 | K | 27 | Very low | 28.1 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | 60.2 | 98.4 | 38.6 | -80 | -173.6 | 177.8 | 176.5 | 0 | 116.3 | ||||
| 160 | S | 30.7 | Very low | 28.2 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -172.7 | 141.1 | 135.8 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 161 | G | 27.7 | Very low | 28.1 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 113.7 | 97.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 162 | K | 25.1 | Very low | 28.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | 83.2 | 111 | 69.6 | -81.5 | -170.8 | 176.8 | 178.1 | 0 | 115.6 | |||||
| 163 | F | 25.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | 64.5 | 115.4 | 140.1 | -77.2 | -76.4 | 0 | 0 | 0 | 121.8 | ||||
| 164 | L | 27.6 | Very low | 28.1 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 160.7 | 137.7 | 105 | -94.4 | 151.3 | 0 | 0 | 0 | 116.1 | |||||
| 165 | S | 24.7 | Very low | 28.1 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 72.9 | 127.4 | 148.5 | 89.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 166 | S | 24.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -64 | 142.6 | 169.4 | 49.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 167 | S | 28.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -149.2 | 129.1 | 137.6 | 78.1 | 0 | 0 | 0 | 0 | 110.8 | K169 | S167-K169 PolarHBondContact O-N 3.47Š| ||
| 168 | N | 24.7 | Very low | 27.9 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 109 | 173.4 | -73.5 | -31 | 0 | 0 | 0 | 109.2 | ||||
| 169 | K | 31.6 | Very low | 27.6 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -133.9 | 115.6 | 157.8 | -92 | -176.8 | 177.4 | 178.1 | 0 | 110.1 | S167 | S167-K169 PolarHBondContact O-N 3.47Š| ||
| 170 | S | 25.8 | Very low | 27.8 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 19.8 | 111.8 | 158.8 | 56.2 | 0 | 0 | 0 | 0 | 118.7 | T172 | S170-T172 PolarHBondContact O-N 3.45Š| ||
| 171 | I | 26.7 | Very low | 27.7 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -34.1 | 118.8 | 145.9 | -60.8 | 158.9 | 0 | 0 | 0 | 110.4 | ||||
| 172 | T | 26 | Very low | 27.8 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | 165.1 | 92.4 | 127.1 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | S170 | S170-T172 PolarHBondContact O-N 3.45Š| |||
| 173 | Q | 28.8 | Very low | 28 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | -174.8 | 110.9 | 129.7 | -125.4 | 164 | -22.2 | 0 | 0 | 109 | T175 | Q173-T175 VanDerWaalsContact C-N 3.27Å; Q173-T175 PolarHBondContact O-N 2.71Å | |||
| 174 | L | 29.9 | Very low | 28.2 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -63.3 | 93.8 | 157.3 | -90.4 | 128.7 | 0 | 0 | 0 | 107.4 | ||||
| 175 | T | 29.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | trans | -126.5 | 106.7 | 154.7 | 30.2 | 0 | 0 | 0 | 0 | 107.4 | Q173 E177 | Q173-T175 VanDerWaalsContact C-N 3.27Å; Q173-T175 PolarHBondContact O-N 2.71Å; T175-E177 PolarHBondContact O-N 3.29Å | ||
| 176 | T | 27.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -58.2 | 83.5 | 167.5 | -34.9 | 0 | 0 | 0 | 0 | 107.7 | S178 | T176-S178 PolarHBondContact O-N 2.93Å; T176-S178 VanDerWaalsContact O-N 3.11Å | ||
| 177 | E | 27.4 | Very low | 29.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -67.2 | 110.2 | 160.7 | -72.7 | -171.4 | 174.3 | 0 | 0 | 107.2 | T175 | T175-E177 PolarHBondContact O-N 3.29Š| ||
| 178 | S | 32.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | 6.7 | 131.8 | 144.4 | -173.4 | 0 | 0 | 0 | 0 | 115.8 | T176 Q180 | T176-S178 PolarHBondContact O-N 2.93Å; T176-S178 VanDerWaalsContact O-N 3.11Å; S178-Q180 PolarHBondContact O-N 3.24Å | ||
| 179 | P | 28.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -58 | 112.8 | 165.6 | 24 | -29.2 | 0 | 0 | 0 | 109.6 | I181 | P179-I181 PolarHBondContact O-N 3.44Š| ||
| 180 | Q | 29.6 | Very low | 29.6 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -68.2 | 115.9 | 155.9 | -90.4 | -177.2 | -37.1 | 0 | 0 | 107.8 | S178 | S178-Q180 PolarHBondContact O-N 3.24Š| ||
| 181 | I | 29.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -123.6 | 101.5 | 142.2 | -59 | 178.9 | 0 | 0 | 0 | 105.4 | P179 | P179-I181 PolarHBondContact O-N 3.44Š| ||
| 182 | N | 28.6 | Very low | 30.1 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 57% | 0.567 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 143.5 | 159.6 | -97.7 | 28 | 0 | 0 | 0 | 109.7 | ||||
| 183 | D | 29 | Very low | 30.2 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 61.2 | 139.1 | 138.8 | -50.8 | -27.4 | 0 | 0 | 0 | 118.4 | ||||
| 184 | S | 30.3 | Very low | 30 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | cis | 178 | 146.8 | -6.8 | 49.9 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 185 | S | 31.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | -168.8 | 139.9 | 76.8 | 53.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 186 | T | 34.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 62.7 | 83 | 156.8 | 35.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 187 | Q | 29.2 | Very low | 30.4 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | S | Bend | -151.6 | 115.6 | 128.4 | -109.4 | 169.7 | 39.9 | 0 | 0 | 110.8 | |||
| 188 | K | 34 | Very low | 30.6 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | 23.1 | 99.7 | 169.6 | -70.8 | -178.4 | 177.3 | -179.9 | 0 | 115.8 | C190 | K188-C190 VanDerWaalsContact C-N 3.28Å; K188-C190 PolarHBondContact O-N 2.85Å | ||
| 189 | L | 26.9 | Very low | 30.4 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -47.6 | 95.6 | 153 | -120.9 | 88 | 0 | 0 | 0 | 108.3 | S191 | L189-S191 PolarHBondContact O-N 2.82Å; L189-S191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | C | 35 | Very low | 30.5 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -77.2 | 89.8 | 154.6 | -77.7 | 0 | 0 | 0 | 0 | 104.6 | K188 T192 | K188-C190 VanDerWaalsContact C-N 3.28Å; K188-C190 PolarHBondContact O-N 2.85Å; C190-T192 VanDerWaalsContact C-N 3.34Å; C190-T192 PolarHBondContact O-N 3.4Å | ||
| 191 | S | 28.5 | Very low | 30.3 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -47.7 | 102 | 169.2 | -56.1 | 0 | 0 | 0 | 0 | 107.8 | L189 Q193 | L189-S191 PolarHBondContact O-N 2.82Å; L189-S191 VanDerWaalsContact O-N 3.12Å; S191-Q193 VanDerWaalsContact C-N 3.32Å; S191-Q193 PolarHBondContact O-N 3.21Å | ||
| 192 | T | 34.4 | Very low | 30.4 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | -71.7 | 102.2 | 172.3 | -14.9 | 0 | 0 | 0 | 0 | 104.2 | C190 S194 | C190-T192 VanDerWaalsContact C-N 3.34Å; C190-T192 PolarHBondContact O-N 3.4Å; T192-S194 PolarHBondContact O-N 3.27Å; T192-S194 VanDerWaalsContact O-N 3.09Å | ||
| 193 | Q | 29 | Very low | 30.7 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -46.9 | 118.6 | 177.4 | -167.9 | 170.7 | 23.9 | 0 | 0 | 108.3 | S191 V195 | S191-Q193 VanDerWaalsContact C-N 3.32Å; S191-Q193 PolarHBondContact O-N 3.21Å; Q193-V195 VanDerWaalsContact C-N 3.35Å; Q193-V195 PolarHBondContact O-N 2.81Å | ||
| 194 | S | 25.6 | Very low | 30.9 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -64.1 | 95.4 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | T192 A196 | T192-S194 PolarHBondContact O-N 3.27Å; T192-S194 VanDerWaalsContact O-N 3.09Å; S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 3.42Å; S194-A196 VanDerWaalsContact O-N 3.12Å | ||
| 195 | V | 33.2 | Very low | 31 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 90.8 | 161.1 | -176.8 | 0 | 0 | 0 | 0 | 105.8 | Q193 V197 | Q193-V195 VanDerWaalsContact C-N 3.35Å; Q193-V195 PolarHBondContact O-N 2.81Å; V195-V197 HydrophobicContact CG1-CG2 4.16Å; V195-V197 PolarHBondContact O-N 3.29Å; V195-V197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | A | 28.2 | Very low | 31 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -63.1 | 103.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S194 | S194-A196 VanDerWaalsContact C-N 3.26Å; S194-A196 PolarHBondContact O-N 3.42Å; S194-A196 VanDerWaalsContact O-N 3.12Å | ||
| 197 | V | 33.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | -133.3 | 94 | 154.3 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | V195 | V195-V197 HydrophobicContact CG1-CG2 4.16Å; V195-V197 PolarHBondContact O-N 3.29Å; V195-V197 VanDerWaalsContact O-N 3.11Å | ||
| 198 | S | 30.4 | Very low | 31.4 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | trans | 4.6 | 121.6 | 154 | 63 | 0 | 0 | 0 | 0 | 118.2 | F200 | S198-F200 PolarHBondContact O-N 2.94Å; S198-F200 VanDerWaalsContact O-N 3.17Å | ||
| 199 | S | 29.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 21.1 | 86.2 | 133.6 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | N201 | S199-N201 PolarHBondContact O-N 3.5Š| ||
| 200 | F | 30.2 | Very low | 32.3 | Very low | 223 Ų | 223 | 124 Ų | 124 | 98% | 0.978 | 74% | 0.743 | S | S | * | * | trans | -70.4 | 79.2 | 150.8 | -106.3 | -91.7 | 0 | 0 | 0 | 107.2 | S198 | S198-F200 PolarHBondContact O-N 2.94Å; S198-F200 VanDerWaalsContact O-N 3.17Å | ||
| 201 | N | 26.2 | Very low | 32.7 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -111.1 | 100.6 | 171.3 | -160.9 | 25.7 | 0 | 0 | 0 | 106.1 | S199 | S199-N201 PolarHBondContact O-N 3.5Š| ||
| 202 | A | 30.3 | Very low | 33.5 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | trans | -164 | 96.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S204 | A202-S204 PolarHBondContact O-N 2.49Š| ||
| 203 | N | 36 | Very low | 34.4 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 95% | 0.947 | 71% | 0.708 | S | S | * | * | trans | -63.4 | 42.8 | 158.8 | -78.6 | -25.3 | 0 | 0 | 0 | 112.6 | ||||
| 204 | S | 32.5 | Very low | 35.3 | Very low | 62 Ų | 62 | 115.6 Ų | 115.6 | 43% | 0.434 | 70% | 0.7 | S | S | . | * | trans | -115.9 | 95.6 | 177.2 | 62 | 0 | 0 | 0 | 0 | 110.2 | A202 I206 | A202-S204 PolarHBondContact O-N 2.49Å; S204-I206 PolarHBondContact O-N 3.44Å | ||
| 205 | S | 32.4 | Very low | 36.6 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | trans | 30.2 | 22 | 131.9 | 62.1 | 0 | 0 | 0 | 0 | 122.3 | L207 | S205-L207 PolarHBondContact O-N 2.55Š| ||
| 206 | I | 32.5 | Very low | 37.1 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | trans | -101.4 | 58.4 | 175.3 | -50.7 | 168.8 | 0 | 0 | 0 | 108.7 | S204 | S204-I206 PolarHBondContact O-N 3.44Š| ||
| 207 | L | 36.8 | Very low | 38.3 | Very low | 170 Ų | 170 | 111.6 Ų | 111.6 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -91.7 | -4.7 | 170.1 | -95.2 | 152.5 | 0 | 0 | 0 | 112.8 | S205 | S205-L207 PolarHBondContact O-N 2.55Š|
| 208 | N | 34.8 | Very low | 39.4 | Very low | 169 Ų | 169 | 112.9 Ų | 112.9 | 90% | 0.904 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -99.3 | 6.8 | 166.5 | -79.6 | 5.2 | 0 | 0 | 0 | 113.1 | N210 | N208-N210 PolarHBondContact O-N 3.21Š|
| 209 | G | 36.6 | Very low | 40.8 | Very low | 37 Ų | 37 | 113 Ų | 113 | 38% | 0.381 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -81.3 | 119.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | C211 | G209-C211 PolarHBondContact O-N 3.01Š|
| 210 | N | 42.9 | Very low | 42.1 | Very low | 147 Ų | 147 | 113.7 Ų | 113.7 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | trans | -31.4 | 115.7 | 160.1 | -70.3 | -24.7 | 0 | 0 | 0 | 109.1 | N208 T212 | N208-N210 PolarHBondContact O-N 3.21Å; N210-T212 PolarHBondContact O-N 2.89Å | ||
| 211 | C | 42.9 | Very low | 43.7 | Very low | 78 Ų | 78 | 109.8 Ų | 109.8 | 53% | 0.527 | 62% | 0.622 | S | S | . | * | trans | -65 | 90.5 | 175.2 | -163.5 | 0 | 0 | 0 | 0 | 107.3 | G209 C213 C216 | G209-C211 PolarHBondContact O-N 3.01Å; C211-C213 WeakPolarHBondContact CB-SG 3.44Å; C211-C213 PolarHBondContact O-N 3.43Å; C211-C213 WeakPolarHBondContact SG-CB 3.27Å; C211-C213 CovalentContact SG-SG 2.07Å; C211-C213 PolarHBondContact SG-SG 3.5Å; C211-C216 HydrophobicContact CB-CB 4.3Å; C211-C216 WeakPolarHBondContact O-CB 3.18Å | ||
| 212 | T | 45.7 | Very low | 45.4 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 72% | 0.724 | 61% | 0.612 | S | S | * | * | trans | -74.9 | 29.1 | 168 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | N210 T214 | N210-T212 PolarHBondContact O-N 2.89Å; T212-T214 PolarHBondContact O-N 3.02Å | ||
| 213 | C | 52.8 | Low | 46.7 | Very low | 44 Ų | 44 | 109.6 Ų | 109.6 | 30% | 0.297 | 61% | 0.605 | S | S | . | * | trans | -71.5 | 130 | 172.5 | 50 | 0 | 0 | 0 | 0 | 107.6 | C211 I215 C216 N217 | C211-C213 WeakPolarHBondContact CB-SG 3.44Å; C211-C213 PolarHBondContact O-N 3.43Å; C211-C213 WeakPolarHBondContact SG-CB 3.27Å; C211-C213 CovalentContact SG-SG 2.07Å; C211-C213 PolarHBondContact SG-SG 3.5Å; C213-I215 CarbonylContact O-C 3.44Å; C213-I215 PolarHBondContact O-N 2.93Å; C213-C216 WeakPolarHBondContact O-CA 3.21Å; C213-C216 PolarHBondContact O-N 3.11Å; C213-C216 WeakPolarHBondContact SG-CB 3.16Å; C213-C216 PolarHBondContact SG-SG 2.79Å; C213-N217 PolarHBondContact O-N 3.26Å; C213-N217 VanDerWaalsContact O-N 3.11Å | ||
| 214 | T | 48.2 | Very low | 48 | Very low | 104 Ų | 104 | 106.8 Ų | 106.8 | 64% | 0.638 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.6 | -27.1 | -176.3 | -25.4 | 0 | 0 | 0 | 0 | 112.4 | T212 K218 | T212-T214 PolarHBondContact O-N 3.02Å; T214-K218 VanDerWaalsContact O-CG 3.27Å; T214-K218 WeakPolarHBondContact O-CG 3.45Å; T214-K218 PolarHBondContact O-N 3.39Å |
| 215 | I | 53 | Low | 49.4 | Very low | 123 Ų | 123 | 108.7 Ų | 108.7 | 63% | 0.631 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.7 | -42.9 | 173.8 | -62.4 | 168.4 | 0 | 0 | 0 | 111.4 | C213 K218 I219 | C213-I215 CarbonylContact O-C 3.44Å; C213-I215 PolarHBondContact O-N 2.93Å; I215-K218 PolarHBondContact O-N 2.69Å; I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.43Å; I215-I219 VanDerWaalsContact O-CG1 3.29Å; I215-I219 WeakPolarHBondContact O-CG1 3.15Å; I215-I219 PolarHBondContact O-N 2.69Å |
| 216 | C | 44.8 | Very low | 50.7 | Low | 42 Ų | 42 | 107 Ų | 107 | 28% | 0.284 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.8 | -40.3 | 175.2 | -81.4 | 0 | 0 | 0 | 0 | 112.2 | C211 C213 K218 I219 Q220 | C211-C216 HydrophobicContact CB-CB 4.3Å; C211-C216 WeakPolarHBondContact O-CB 3.18Å; C213-C216 WeakPolarHBondContact O-CA 3.21Å; C213-C216 PolarHBondContact O-N 3.11Å; C213-C216 WeakPolarHBondContact SG-CB 3.16Å; C213-C216 PolarHBondContact SG-SG 2.79Å; C216-K218 VanDerWaalsContact C-N 3.28Å; C216-K218 PolarHBondContact O-N 3.22Å; C216-I219 PolarHBondContact O-N 3.38Å; C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 WeakPolarHBondContact O-CG 2.97Å; C216-Q220 PolarHBondContact O-N 2.88Å |
| 217 | N | 53 | Low | 52 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -40.4 | 173.4 | -80.4 | 0.9 | 0 | 0 | 0 | 111.5 | C213 Q220 M221 | C213-N217 PolarHBondContact O-N 3.26Å; C213-N217 VanDerWaalsContact O-N 3.11Å; N217-Q220 PolarHBondContact O-N 3.17Å; N217-M221 WeakPolarHBondContact O-CG 3.18Å; N217-M221 PolarHBondContact O-N 2.71Å |
| 218 | K | 56.2 | Low | 53.1 | Low | 148 Ų | 148 | 100 Ų | 100 | 64% | 0.643 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | 175.4 | -76.1 | 176.1 | -179.7 | -177.3 | 0 | 112.5 | T214 I215 C216 M221 F222 | T214-K218 VanDerWaalsContact O-CG 3.27Å; T214-K218 WeakPolarHBondContact O-CG 3.45Å; T214-K218 PolarHBondContact O-N 3.39Å; I215-K218 PolarHBondContact O-N 2.69Å; C216-K218 VanDerWaalsContact C-N 3.28Å; C216-K218 PolarHBondContact O-N 3.22Å; K218-M221 PolarHBondContact O-N 2.88Å; K218-F222 WeakPolarHBondContact O-CB 3.1Å; K218-F222 PolarHBondContact O-N 2.78Å |
| 219 | I | 58.8 | Low | 54.3 | Low | 87 Ų | 87 | 98.1 Ų | 98.1 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 176.1 | -67.8 | 166.9 | 0 | 0 | 0 | 110.7 | I215 C216 F222 N223 | I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.43Å; I215-I219 VanDerWaalsContact O-CG1 3.29Å; I215-I219 WeakPolarHBondContact O-CG1 3.15Å; I215-I219 PolarHBondContact O-N 2.69Å; C216-I219 PolarHBondContact O-N 3.38Å; I219-F222 PolarHBondContact O-N 3.5Å; I219-N223 WeakPolarHBondContact O-CB 3.35Å; I219-N223 VanDerWaalsContact O-CG 3.31Å; I219-N223 PolarHBondContact O-N 3.47Å |
| 220 | Q | 58.5 | Low | 55.4 | Low | 117 Ų | 117 | 98.9 Ų | 98.9 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.5 | -78.5 | -177.7 | -14.8 | 0 | 0 | 111.6 | C216 N217 F222 N223 I224 | C216-Q220 WeakPolarHBondContact O-CB 3.48Å; C216-Q220 WeakPolarHBondContact O-CG 2.97Å; C216-Q220 PolarHBondContact O-N 2.88Å; N217-Q220 PolarHBondContact O-N 3.17Å; Q220-F222 VanDerWaalsContact C-N 3.31Å; Q220-F222 PolarHBondContact O-N 3.34Å; Q220-N223 PolarHBondContact O-N 3.39Å; Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.41Å; Q220-I224 PolarHBondContact O-N 3.48Å |
| 221 | M | 63.4 | Low | 56 | Low | 141 Ų | 141 | 94.6 Ų | 94.6 | 70% | 0.695 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 173.7 | -74.3 | -163.5 | -171.6 | 0 | 0 | 111.8 | N217 K218 I224 L225 | N217-M221 WeakPolarHBondContact O-CG 3.18Å; N217-M221 PolarHBondContact O-N 2.71Å; K218-M221 PolarHBondContact O-N 2.88Å; M221-I224 PolarHBondContact O-N 2.07Å; M221-L225 WeakPolarHBondContact O-CB 3.01Å; M221-L225 PolarHBondContact O-N 2.78Å |
| 222 | F | 61.1 | Low | 56.6 | Low | 125 Ų | 125 | 94 Ų | 94 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.2 | -172.1 | -106.4 | 0 | 0 | 0 | 112.4 | K218 I219 Q220 L225 L226 | K218-F222 WeakPolarHBondContact O-CB 3.1Å; K218-F222 PolarHBondContact O-N 2.78Å; I219-F222 PolarHBondContact O-N 3.5Å; Q220-F222 VanDerWaalsContact C-N 3.31Å; Q220-F222 PolarHBondContact O-N 3.34Å; F222-L225 PolarHBondContact O-N 2.95Å; F222-L226 HydrophobicContact CD1-CD1 3.65Å; F222-L226 HydrophobicContact CD1-CG 4.29Å; F222-L226 HydrophobicContact CE1-CD1 3.28Å; F222-L226 HydrophobicContact CE1-CG 3.95Å; F222-L226 HydrophobicContact CZ-CD1 3.91Å; F222-L226 HydrophobicContact CZ-CD2 4.46Å; F222-L226 HydrophobicContact CZ-CG 4.13Å; F222-L226 WeakPolarHBondContact O-CB 3.47Å; F222-L226 PolarHBondContact O-N 2.96Å |
| 223 | N | 57.1 | Low | 57.4 | Low | 85 Ų | 85 | 92.1 Ų | 92.1 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 175 | -76.6 | -9.3 | 0 | 0 | 0 | 111.7 | I219 Q220 L225 L226 T227 | I219-N223 WeakPolarHBondContact O-CB 3.35Å; I219-N223 VanDerWaalsContact O-CG 3.31Å; I219-N223 PolarHBondContact O-N 3.47Å; Q220-N223 PolarHBondContact O-N 3.39Å; N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 3.39Å; N223-L226 PolarHBondContact O-N 2.68Å; N223-T227 WeakPolarHBondContact O-CB 3.21Å; N223-T227 PolarHBondContact O-N 2.7Å; N223-T227 PolarHBondContact O-OG1 2.73Å |
| 224 | I | 64 | Low | 57.7 | Low | 118 Ų | 118 | 94.4 Ų | 94.4 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 173.6 | -67.9 | 164.7 | 0 | 0 | 0 | 109.9 | Q220 M221 T227 S228 | Q220-I224 VanDerWaalsContact O-CG1 3.26Å; Q220-I224 WeakPolarHBondContact O-CG1 3.41Å; Q220-I224 PolarHBondContact O-N 3.48Å; M221-I224 PolarHBondContact O-N 2.07Å; I224-T227 PolarHBondContact O-N 3.13Å; I224-S228 PolarHBondContact O-N 3.34Å; I224-S228 PolarHBondContact O-OG 3.15Å |
| 225 | L | 61.4 | Low | 58.4 | Low | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | -179.9 | -158.2 | 127 | 0 | 0 | 0 | 111.8 | M221 F222 N223 T227 S228 W229 | M221-L225 WeakPolarHBondContact O-CB 3.01Å; M221-L225 PolarHBondContact O-N 2.78Å; F222-L225 PolarHBondContact O-N 2.95Å; N223-L225 VanDerWaalsContact C-N 3.31Å; N223-L225 PolarHBondContact O-N 3.39Å; L225-T227 VanDerWaalsContact C-N 3.33Å; L225-T227 PolarHBondContact O-N 2.8Å; L225-S228 WeakPolarHBondContact CA-OG 3.23Å; L225-S228 PolarHBondContact O-N 2.78Å; L225-S228 PolarHBondContact O-OG 2.71Å; L225-W229 PolarHBondContact O-N 2.7Å |
| 226 | L | 59.7 | Low | 59 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 172.9 | -82 | 172.4 | 0 | 0 | 0 | 112.5 | F222 N223 W229 S230 | F222-L226 HydrophobicContact CD1-CD1 3.65Å; F222-L226 HydrophobicContact CD1-CG 4.29Å; F222-L226 HydrophobicContact CE1-CD1 3.28Å; F222-L226 HydrophobicContact CE1-CG 3.95Å; F222-L226 HydrophobicContact CZ-CD1 3.91Å; F222-L226 HydrophobicContact CZ-CD2 4.46Å; F222-L226 HydrophobicContact CZ-CG 4.13Å; F222-L226 WeakPolarHBondContact O-CB 3.47Å; F222-L226 PolarHBondContact O-N 2.96Å; N223-L226 PolarHBondContact O-N 2.68Å; L226-W229 PolarHBondContact O-N 2.71Å; L226-S230 PolarHBondContact O-N 3.12Å |
| 227 | T | 59.7 | Low | 59.7 | Low | 90 Ų | 90 | 95.6 Ų | 95.6 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67 | -42 | 178.7 | -46.5 | 0 | 0 | 0 | 0 | 110.6 | N223 I224 L225 W229 S230 A231 | N223-T227 WeakPolarHBondContact O-CB 3.21Å; N223-T227 PolarHBondContact O-N 2.7Å; N223-T227 PolarHBondContact O-OG1 2.73Å; I224-T227 PolarHBondContact O-N 3.13Å; L225-T227 VanDerWaalsContact C-N 3.33Å; L225-T227 PolarHBondContact O-N 2.8Å; T227-W229 VanDerWaalsContact C-N 3.33Å; T227-W229 PolarHBondContact O-N 3.49Å; T227-S230 WeakPolarHBondContact O-CB 3.12Å; T227-S230 PolarHBondContact O-N 2.73Å; T227-S230 PolarHBondContact O-OG 3.23Å; T227-A231 PolarHBondContact O-N 2.87Å |
| 228 | S | 61.4 | Low | 60 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 173.7 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | I224 L225 A231 V232 | I224-S228 PolarHBondContact O-N 3.34Å; I224-S228 PolarHBondContact O-OG 3.15Å; L225-S228 WeakPolarHBondContact CA-OG 3.23Å; L225-S228 PolarHBondContact O-N 2.78Å; L225-S228 PolarHBondContact O-OG 2.71Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 2.64Å; S228-V232 WeakPolarHBondContact O-CG2 3.36Å; S228-V232 PolarHBondContact O-N 3.36Å |
| 229 | W | 59.9 | Low | 60 | Low | 128 Ų | 128 | 93 Ų | 93 | 49% | 0.485 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 173 | -120.5 | 137 | 0 | 0 | 0 | 111.4 | L225 L226 T227 A231 V232 I233 I236 | L225-W229 PolarHBondContact O-N 2.7Å; L226-W229 PolarHBondContact O-N 2.71Å; T227-W229 VanDerWaalsContact C-N 3.33Å; T227-W229 PolarHBondContact O-N 3.49Å; W229-A231 PolarHBondContact O-N 2.63Å; W229-V232 HydrophobicContact CE3-CB 3.65Å; W229-V232 HydrophobicContact CE3-CG1 3.82Å; W229-V232 HydrophobicContact CH2-CG1 4.18Å; W229-V232 HydrophobicContact CZ3-CB 3.79Å; W229-V232 HydrophobicContact CZ3-CG1 3.39Å; W229-V232 PolarHBondContact O-N 2.87Å; W229-I233 HydrophobicContact CE3-CD1 4.07Å; W229-I233 HydrophobicContact CE3-CG1 3.7Å; W229-I233 HydrophobicContact CZ3-CG1 3.94Å; W229-I233 WeakPolarHBondContact O-CB 3.12Å; W229-I233 WeakPolarHBondContact O-CG1 3.45Å; W229-I233 PolarHBondContact O-N 2.92Å; W229-I236 HydrophobicContact CZ3-CD1 4.35Å |
| 230 | S | 58.8 | Low | 59.9 | Low | 53 Ų | 53 | 93.7 Ų | 93.7 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -36.9 | 172.9 | 84 | 0 | 0 | 0 | 0 | 111.7 | L226 T227 I233 N234 | L226-S230 PolarHBondContact O-N 3.12Å; T227-S230 WeakPolarHBondContact O-CB 3.12Å; T227-S230 PolarHBondContact O-N 2.73Å; T227-S230 PolarHBondContact O-OG 3.23Å; S230-I233 PolarHBondContact O-N 3.34Å; S230-N234 VanDerWaalsContact O-CB 3.32Å; S230-N234 WeakPolarHBondContact O-CB 3.42Å; S230-N234 PolarHBondContact O-N 2.93Å; S230-N234 PolarHBondContact O-ND2 2.68Å |
| 231 | A | 54.8 | Low | 59.6 | Low | 57 Ų | 57 | 90.6 Ų | 90.6 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T227 S228 W229 N234 F235 | T227-A231 PolarHBondContact O-N 2.87Å; S228-A231 WeakPolarHBondContact O-CB 3.4Å; S228-A231 PolarHBondContact O-N 2.64Å; W229-A231 PolarHBondContact O-N 2.63Å; A231-N234 PolarHBondContact O-N 2.83Å; A231-F235 WeakPolarHBondContact O-CB 3.12Å; A231-F235 PolarHBondContact O-N 3.43Å |
| 232 | V | 55.7 | Low | 58.9 | Low | 67 Ų | 67 | 88.3 Ų | 88.3 | 41% | 0.406 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 111 | S228 W229 F235 I236 | S228-V232 WeakPolarHBondContact O-CG2 3.36Å; S228-V232 PolarHBondContact O-N 3.36Å; W229-V232 HydrophobicContact CE3-CB 3.65Å; W229-V232 HydrophobicContact CE3-CG1 3.82Å; W229-V232 HydrophobicContact CH2-CG1 4.18Å; W229-V232 HydrophobicContact CZ3-CB 3.79Å; W229-V232 HydrophobicContact CZ3-CG1 3.39Å; W229-V232 PolarHBondContact O-N 2.87Å; V232-F235 PolarHBondContact O-N 3.33Å; V232-I236 HydrophobicContact CG1-CD1 3.94Å; V232-I236 HydrophobicContact CG1-CG1 4.45Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.07Å; V232-I236 PolarHBondContact O-N 3.04Å |
| 233 | I | 63.2 | Low | 58.5 | Low | 78 Ų | 78 | 87.8 Ų | 87.8 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.7 | -73.2 | 162.8 | 0 | 0 | 0 | 110.5 | W229 S230 F235 I236 H237 | W229-I233 HydrophobicContact CE3-CD1 4.07Å; W229-I233 HydrophobicContact CE3-CG1 3.7Å; W229-I233 HydrophobicContact CZ3-CG1 3.94Å; W229-I233 WeakPolarHBondContact O-CB 3.12Å; W229-I233 WeakPolarHBondContact O-CG1 3.45Å; W229-I233 PolarHBondContact O-N 2.92Å; S230-I233 PolarHBondContact O-N 3.34Å; I233-F235 VanDerWaalsContact C-N 3.31Å; I233-F235 PolarHBondContact O-N 2.76Å; I233-I236 PolarHBondContact O-N 2.73Å; I233-H237 VanDerWaalsContact CG2-CD2 3.49Å; I233-H237 WeakPolarHBondContact CG2-CD2 3.2Å; I233-H237 WeakPolarHBondContact O-CB 3.41Å; I233-H237 PolarHBondContact O-CD2 3.39Å; I233-H237 VanDerWaalsContact O-CD2 3.32Å; I233-H237 PolarHBondContact O-N 3.32Å |
| 234 | N | 59.6 | Low | 58.1 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 175.6 | -74.6 | -13.8 | 0 | 0 | 0 | 111.8 | S230 A231 H237 N238 | S230-N234 VanDerWaalsContact O-CB 3.32Å; S230-N234 WeakPolarHBondContact O-CB 3.42Å; S230-N234 PolarHBondContact O-N 2.93Å; S230-N234 PolarHBondContact O-ND2 2.68Å; A231-N234 PolarHBondContact O-N 2.83Å; N234-H237 PolarHBondContact O-N 3.46Å; N234-N238 WeakPolarHBondContact O-CB 3.18Å; N234-N238 PolarHBondContact O-N 2.67Å; N234-N238 PolarHBondContact O-ND2 3.15Å |
| 235 | F | 63.1 | Low | 57.2 | Low | 102 Ų | 102 | 88.7 Ų | 88.7 | 45% | 0.447 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 174 | -179 | -104.5 | 0 | 0 | 0 | 111.8 | A231 V232 I233 N238 L239 | A231-F235 WeakPolarHBondContact O-CB 3.12Å; A231-F235 PolarHBondContact O-N 3.43Å; V232-F235 PolarHBondContact O-N 3.33Å; I233-F235 VanDerWaalsContact C-N 3.31Å; I233-F235 PolarHBondContact O-N 2.76Å; F235-N238 PolarHBondContact O-N 3.32Å; F235-L239 HydrophobicContact CD1-CD1 3.8Å; F235-L239 HydrophobicContact CD1-CG 4.46Å; F235-L239 HydrophobicContact CE1-CD1 3.3Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CE2-CD1 4.5Å; F235-L239 HydrophobicContact CE2-CG 4.5Å; F235-L239 HydrophobicContact CZ-CD1 3.7Å; F235-L239 HydrophobicContact CZ-CD2 4.46Å; F235-L239 HydrophobicContact CZ-CG 4.12Å; F235-L239 WeakPolarHBondContact O-CB 3.1Å; F235-L239 WeakPolarHBondContact O-CG 3.23Å; F235-L239 PolarHBondContact O-N 3.35Å |
| 236 | I | 65.2 | Low | 56.2 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 174.8 | -68.2 | 166.3 | 0 | 0 | 0 | 110.6 | W229 V232 I233 L239 Q240 | W229-I236 HydrophobicContact CZ3-CD1 4.35Å; V232-I236 HydrophobicContact CG1-CD1 3.94Å; V232-I236 HydrophobicContact CG1-CG1 4.45Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.07Å; V232-I236 PolarHBondContact O-N 3.04Å; I233-I236 PolarHBondContact O-N 2.73Å; I236-L239 PolarHBondContact O-N 3.17Å; I236-Q240 WeakPolarHBondContact O-CB 3.45Å; I236-Q240 PolarHBondContact O-N 3.04Å |
| 237 | H | 60 | Low | 55.4 | Low | 109 Ų | 109 | 89 Ų | 89 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.2 | -84 | -57 | 0 | 0 | 0 | 112.3 | I233 N234 L239 Q240 S241 | I233-H237 VanDerWaalsContact CG2-CD2 3.49Å; I233-H237 WeakPolarHBondContact CG2-CD2 3.2Å; I233-H237 WeakPolarHBondContact O-CB 3.41Å; I233-H237 PolarHBondContact O-CD2 3.39Å; I233-H237 VanDerWaalsContact O-CD2 3.32Å; I233-H237 PolarHBondContact O-N 3.32Å; N234-H237 PolarHBondContact O-N 3.46Å; H237-L239 VanDerWaalsContact C-N 3.34Å; H237-Q240 PolarHBondContact O-N 3.46Å; H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.98Å; H237-S241 PolarHBondContact O-OG 2.87Å |
| 238 | N | 58.6 | Low | 54.4 | Low | 99 Ų | 99 | 91.4 Ų | 91.4 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.4 | -75.2 | -13.7 | 0 | 0 | 0 | 111.9 | N234 F235 S241 N242 | N234-N238 WeakPolarHBondContact O-CB 3.18Å; N234-N238 PolarHBondContact O-N 2.67Å; N234-N238 PolarHBondContact O-ND2 3.15Å; F235-N238 PolarHBondContact O-N 3.32Å; N238-S241 WeakPolarHBondContact CA-OG 3.47Å; N238-S241 PolarHBondContact O-OG 2.75Å; N238-N242 WeakPolarHBondContact O-CB 3.48Å; N238-N242 PolarHBondContact O-N 3.41Å; N238-N242 PolarHBondContact O-ND2 2.85Å |
| 239 | L | 56.5 | Low | 53.1 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 37% | 0.366 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 171.6 | -79.6 | 175 | 0 | 0 | 0 | 111.3 | F235 I236 H237 N242 L243 | F235-L239 HydrophobicContact CD1-CD1 3.8Å; F235-L239 HydrophobicContact CD1-CG 4.46Å; F235-L239 HydrophobicContact CE1-CD1 3.3Å; F235-L239 HydrophobicContact CE1-CG 4.11Å; F235-L239 HydrophobicContact CE2-CD1 4.5Å; F235-L239 HydrophobicContact CE2-CG 4.5Å; F235-L239 HydrophobicContact CZ-CD1 3.7Å; F235-L239 HydrophobicContact CZ-CD2 4.46Å; F235-L239 HydrophobicContact CZ-CG 4.12Å; F235-L239 WeakPolarHBondContact O-CB 3.1Å; F235-L239 WeakPolarHBondContact O-CG 3.23Å; F235-L239 PolarHBondContact O-N 3.35Å; I236-L239 PolarHBondContact O-N 3.17Å; H237-L239 VanDerWaalsContact C-N 3.34Å; L239-N242 PolarHBondContact O-N 3.47Å; L239-L243 WeakPolarHBondContact O-CB 3.25Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.4Å |
| 240 | Q | 57.2 | Low | 52.1 | Low | 103 Ų | 103 | 96.4 Ų | 96.4 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 179.6 | -167.7 | 176 | -0.8 | 0 | 0 | 112 | I236 H237 L243 N244 | I236-Q240 WeakPolarHBondContact O-CB 3.45Å; I236-Q240 PolarHBondContact O-N 3.04Å; H237-Q240 PolarHBondContact O-N 3.46Å; Q240-L243 PolarHBondContact O-N 3.05Å; Q240-N244 WeakPolarHBondContact O-CB 3.13Å; Q240-N244 PolarHBondContact O-N 2.9Å |
| 241 | S | 50.3 | Low | 51.1 | Low | 51 Ų | 51 | 98.4 Ų | 98.4 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | H237 N238 N244 L245 | H237-S241 WeakPolarHBondContact O-CB 3.48Å; H237-S241 PolarHBondContact O-N 2.98Å; H237-S241 PolarHBondContact O-OG 2.87Å; N238-S241 WeakPolarHBondContact CA-OG 3.47Å; N238-S241 PolarHBondContact O-OG 2.75Å; S241-N244 PolarHBondContact O-N 2.86Å; S241-L245 WeakPolarHBondContact O-CG 3.34Å; S241-L245 PolarHBondContact O-N 2.92Å |
| 242 | N | 50.4 | Low | 50.6 | Low | 94 Ų | 94 | 102.8 Ų | 102.8 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 177.2 | -71 | -11.7 | 0 | 0 | 0 | 112.2 | N238 L239 L245 N246 | N238-N242 WeakPolarHBondContact O-CB 3.48Å; N238-N242 PolarHBondContact O-N 3.41Å; N238-N242 PolarHBondContact O-ND2 2.85Å; L239-N242 PolarHBondContact O-N 3.47Å; N242-L245 PolarHBondContact O-N 2.79Å; N242-N246 PolarHBondContact O-N 3.49Å; N242-N246 VanDerWaalsContact O-N 3.1Å |
| 243 | L | 51.8 | Low | 49.8 | Very low | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.3 | -41.4 | 173.2 | -76.3 | 168.3 | 0 | 0 | 0 | 112 | L239 Q240 L245 N246 S247 | L239-L243 WeakPolarHBondContact O-CB 3.25Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.4Å; Q240-L243 PolarHBondContact O-N 3.05Å; L243-L245 VanDerWaalsContact C-N 3.28Å; L243-L245 PolarHBondContact O-N 2.82Å; L243-N246 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-N 3.26Å; L243-S247 PolarHBondContact O-OG 2.71Å |
| 244 | N | 47.8 | Very low | 48.8 | Very low | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.2 | -27.6 | 175.9 | -82.4 | 6 | 0 | 0 | 0 | 113 | Q240 S241 S247 | Q240-N244 WeakPolarHBondContact O-CB 3.13Å; Q240-N244 PolarHBondContact O-N 2.9Å; S241-N244 PolarHBondContact O-N 2.86Å; N244-S247 PolarHBondContact O-OG 3.29Å; N244-S247 VanDerWaalsContact O-OG 3.05Å |
| 245 | L | 45.6 | Very low | 48.3 | Very low | 121 Ų | 121 | 107 Ų | 107 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.8 | -39.6 | 172.7 | -79.5 | 158.1 | 0 | 0 | 0 | 111.4 | S241 N242 L243 | S241-L245 WeakPolarHBondContact O-CG 3.34Å; S241-L245 PolarHBondContact O-N 2.92Å; N242-L245 PolarHBondContact O-N 2.79Å; L243-L245 VanDerWaalsContact C-N 3.28Å; L243-L245 PolarHBondContact O-N 2.82Å |
| 246 | N | 40.2 | Very low | 47.4 | Very low | 125 Ų | 125 | 108 Ų | 108 | 67% | 0.668 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -80.4 | -14.9 | 179.4 | -74.2 | 1.3 | 0 | 0 | 0 | 114.2 | N242 L243 N248 | N242-N246 PolarHBondContact O-N 3.49Å; N242-N246 VanDerWaalsContact O-N 3.1Å; L243-N246 PolarHBondContact O-N 3.29Å; N246-N248 VanDerWaalsContact C-N 3.3Å; N246-N248 PolarHBondContact O-N 3.31Å |
| 247 | S | 43.3 | Very low | 46.3 | Very low | 71 Ų | 71 | 110 Ų | 110 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -14.4 | 177.9 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | L243 N244 | L243-S247 PolarHBondContact O-N 3.26Å; L243-S247 PolarHBondContact O-OG 2.71Å; N244-S247 PolarHBondContact O-OG 3.29Å; N244-S247 VanDerWaalsContact O-OG 3.05Å |
| 248 | N | 39.2 | Very low | 45.5 | Very low | 140 Ų | 140 | 112.5 Ų | 112.5 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -18.1 | 179.1 | -78.9 | -5.5 | 0 | 0 | 0 | 113.6 | N246 | N246-N248 VanDerWaalsContact C-N 3.3Å; N246-N248 PolarHBondContact O-N 3.31Å |
| 249 | D | 34 | Very low | 45.1 | Very low | 156 Ų | 156 | 112.1 Ų | 112.1 | 83% | 0.834 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -8.6 | -175.9 | -75.6 | -20.8 | 0 | 0 | 0 | 114.6 | S251 | D249-S251 PolarHBondContact O-N 2.83Š|
| 250 | M | 39.1 | Very low | 44.3 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -95.4 | 93.2 | 174.9 | -157.7 | 171 | -79.3 | 0 | 0 | 110.3 | I252 | M250-I252 PolarHBondContact O-N 2.78Š|
| 251 | S | 36.6 | Very low | 43.9 | Very low | 95 Ų | 95 | 116.6 Ų | 116.6 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -43.1 | 126.6 | 172.8 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | D249 N253 | D249-S251 PolarHBondContact O-N 2.83Å; S251-N253 PolarHBondContact O-N 3.36Å | ||
| 252 | I | 44.5 | Very low | 43.7 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 9.3 | -168.3 | -72.5 | 164.4 | 0 | 0 | 0 | 116.9 | M250 | M250-I252 PolarHBondContact O-N 2.78Š|
| 253 | N | 40.5 | Very low | 43.4 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 82% | 0.824 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -10.2 | -173.5 | -89.5 | 5.3 | 0 | 0 | 0 | 116.8 | S251 | S251-N253 PolarHBondContact O-N 3.36Š|
| 254 | T | 41.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -108.3 | -7 | -178.2 | 43.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 255 | T | 48.8 | Very low | 43.2 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.5 | -28.3 | -173.6 | -26.6 | 0 | 0 | 0 | 0 | 113.5 | V259 | T255-V259 WeakPolarHBondContact O-CG2 3.48Å; T255-V259 PolarHBondContact O-N 3.24Å |
| 256 | N | 43.8 | Very low | 43.4 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 66% | 0.658 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.7 | -39.6 | -176.6 | -75.8 | -11 | 0 | 0 | 0 | 112.6 | F258 Y260 | N256-F258 PolarHBondContact O-N 3.01Å; N256-Y260 VanDerWaalsContact O-CD2 3.3Å; N256-Y260 WeakPolarHBondContact O-CD2 3.48Å |
| 257 | D | 42.4 | Very low | 43.8 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.2 | -30.8 | -178.9 | -75.2 | -18.9 | 0 | 0 | 0 | 113 | N261 | D257-N261 PolarHBondContact O-N 3.38Å |
| 258 | F | 43.9 | Very low | 44 | Very low | 162 Ų | 162 | 123.6 Ų | 123.6 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.6 | -37.4 | -178.4 | -118.1 | -83.3 | 0 | 0 | 0 | 113 | N256 N261 L262 | N256-F258 PolarHBondContact O-N 3.01Å; F258-N261 PolarHBondContact O-N 3.42Å; F258-L262 WeakPolarHBondContact O-CB 3.38Å; F258-L262 PolarHBondContact O-N 3.17Å |
| 259 | V | 50.7 | Low | 44 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.2 | -41.3 | -179 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | T255 N261 L262 E263 | T255-V259 WeakPolarHBondContact O-CG2 3.48Å; T255-V259 PolarHBondContact O-N 3.24Å; V259-N261 PolarHBondContact O-N 3.1Å; V259-L262 PolarHBondContact O-N 3.34Å; V259-E263 PolarHBondContact O-N 3.12Å |
| 260 | Y | 39.6 | Very low | 44.1 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.7 | -35.9 | 177.1 | -81.4 | -71.2 | 0 | 0 | 0 | 112.7 | N256 N264 | N256-Y260 VanDerWaalsContact O-CD2 3.3Å; N256-Y260 WeakPolarHBondContact O-CD2 3.48Å; Y260-N264 PolarHBondContact O-N 3.05Å |
| 261 | N | 47.5 | Very low | 44.1 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 55% | 0.551 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.6 | -37.2 | 176.2 | -83.8 | -23.4 | 0 | 0 | 0 | 112.9 | D257 F258 V259 N264 L265 | D257-N261 PolarHBondContact O-N 3.38Å; F258-N261 PolarHBondContact O-N 3.42Å; V259-N261 PolarHBondContact O-N 3.1Å; N261-N264 PolarHBondContact O-N 2.78Å; N261-L265 PolarHBondContact O-N 2.87Å; N261-L265 VanDerWaalsContact O-N 3.1Å |
| 262 | L | 46.2 | Very low | 44.1 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.9 | -40.1 | 179.4 | -161.6 | 78.8 | 0 | 0 | 0 | 112.3 | F258 V259 N264 L265 L266 | F258-L262 WeakPolarHBondContact O-CB 3.38Å; F258-L262 PolarHBondContact O-N 3.17Å; V259-L262 PolarHBondContact O-N 3.34Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.48Å; L262-L265 PolarHBondContact O-N 3.2Å; L262-L266 HydrophobicContact CG-CD1 4.32Å; L262-L266 WeakPolarHBondContact O-CG 3.08Å; L262-L266 PolarHBondContact O-N 3.44Å |
| 263 | E | 44.8 | Very low | 43.7 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.3 | -37 | 178.9 | -156.5 | -167.4 | 148.4 | 0 | 0 | 111.9 | V259 K267 | V259-E263 PolarHBondContact O-N 3.12Å; E263-K267 PolarHBondContact O-N 2.83Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 2.64Å; E263-K267 PolarHBondContact OE1-NZ 3.11Å |
| 264 | N | 47.2 | Very low | 43.5 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 54% | 0.54 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.9 | -39.4 | 175.5 | -79.6 | -19.7 | 0 | 0 | 0 | 112.4 | Y260 N261 L262 K267 Q268 | Y260-N264 PolarHBondContact O-N 3.05Å; N261-N264 PolarHBondContact O-N 2.78Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.48Å; N264-K267 PolarHBondContact O-N 3.12Å; N264-Q268 PolarHBondContact O-N 2.88Å |
| 265 | L | 48.6 | Very low | 43.5 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65 | -39 | 175.9 | -102.1 | 144.4 | 0 | 0 | 0 | 112.7 | N261 L262 Q268 N269 | N261-L265 PolarHBondContact O-N 2.87Å; N261-L265 VanDerWaalsContact O-N 3.1Å; L262-L265 PolarHBondContact O-N 3.2Å; L265-Q268 PolarHBondContact O-N 2.97Å; L265-N269 PolarHBondContact O-N 2.98Å |
| 266 | L | 49.2 | Very low | 43.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 61% | 0.613 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.2 | -30 | 178.1 | -76 | 168 | 0 | 0 | 0 | 112.9 | L262 R270 | L262-L266 HydrophobicContact CG-CD1 4.32Å; L262-L266 WeakPolarHBondContact O-CG 3.08Å; L262-L266 PolarHBondContact O-N 3.44Å; L266-R270 PolarHBondContact O-N 3.09Å |
| 267 | K | 48.6 | Very low | 42.7 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 61% | 0.609 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 174.4 | -78 | 175.8 | -173.9 | 158.8 | 0 | 112.6 | E263 N264 | E263-K267 PolarHBondContact O-N 2.83Å; E263-K267 WeakPolarHBondContact OE1-CE 3.47Å; E263-K267 IonicContact OE1-NZ 2.64Å; E263-K267 PolarHBondContact OE1-NZ 3.11Å; N264-K267 PolarHBondContact O-N 3.12Å |
| 268 | Q | 47.3 | Very low | 42.8 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.2 | -33 | 176.4 | -81.9 | -173.2 | -14.4 | 0 | 0 | 113.4 | N264 L265 | N264-Q268 PolarHBondContact O-N 2.88Å; L265-Q268 PolarHBondContact O-N 2.97Å |
| 269 | N | 38.7 | Very low | 42.8 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 65% | 0.652 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 14 | -175.1 | -75.1 | -34.1 | 0 | 0 | 0 | 114.8 | L265 P271 | L265-N269 PolarHBondContact O-N 2.98Å; N269-P271 WeakPolarHBondContact O-CD 3.33Å |
| 270 | R | 36.8 | Very low | 41.8 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | trans | -75 | 107.6 | 172 | -166.2 | -178.5 | -159.8 | -169.1 | 4.7 | 108.5 | L266 I272 | L266-R270 PolarHBondContact O-N 3.09Å; R270-I272 PolarHBondContact O-N 2.83Å | ||
| 271 | P | 38.5 | Very low | 41.4 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | trans | -66 | 131.7 | 172.1 | -8.2 | 26.9 | 0 | 0 | 0 | 107.1 | N269 I273 | N269-P271 WeakPolarHBondContact O-CD 3.33Å; P271-I273 HydrophobicContact CB-CG1 4.37Å; P271-I273 PolarHBondContact O-N 3.11Å | ||
| 272 | I | 38.1 | Very low | 40.7 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 80% | 0.795 | 67% | 0.667 | S | S | * | * | trans | -67.2 | 86.9 | 171.9 | -59.9 | 167.8 | 0 | 0 | 0 | 106.5 | R270 T274 | R270-I272 PolarHBondContact O-N 2.83Å; I272-T274 HydrophobicContact CG2-CG2 4.12Å; I272-T274 PolarHBondContact O-N 2.83Å | ||
| 273 | I | 35.8 | Very low | 39.9 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | -87.9 | 94.3 | 166.3 | -55.5 | 175 | 0 | 0 | 0 | 105.1 | P271 | P271-I273 HydrophobicContact CB-CG1 4.37Å; P271-I273 PolarHBondContact O-N 3.11Å | ||
| 274 | T | 35.3 | Very low | 39.1 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 47% | 0.466 | 69% | 0.694 | S | S | . | * | trans | -68.9 | 136 | 168.1 | 25.5 | 0 | 0 | 0 | 0 | 109.7 | I272 S276 D277 | I272-T274 HydrophobicContact CG2-CG2 4.12Å; I272-T274 PolarHBondContact O-N 2.83Å; T274-S276 PolarHBondContact O-N 2.94Å; T274-D277 PolarHBondContact O-N 3.46Å | ||
| 275 | E | 41 | Very low | 38.4 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -9.5 | -172 | -88.6 | 179.8 | 147.3 | 0 | 0 | 115.8 | ||
| 276 | S | 41.8 | Very low | 37.7 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -22 | 177.4 | 48.7 | 0 | 0 | 0 | 0 | 114.6 | T274 | T274-S276 PolarHBondContact O-N 2.94Š|
| 277 | D | 35 | Very low | 36.7 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 60% | 0.604 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -1.2 | -171.7 | -61 | -26 | 0 | 0 | 0 | 113.6 | T274 L279 | T274-D277 PolarHBondContact O-N 3.46Å; D277-L279 PolarHBondContact O-N 2.79Å |
| 278 | A | 43.2 | Very low | 35.8 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 279 | L | 44.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.5 | -7.9 | -168.4 | -96.7 | 158.2 | 0 | 0 | 0 | 116.4 | D277 | D277-L279 PolarHBondContact O-N 2.79Š|
| 280 | N | 29.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -148.8 | 117.7 | 173.3 | -82.6 | -38.9 | 0 | 0 | 0 | 111.9 | ||
| 281 | N | 32.1 | Very low | 34.2 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | trans | 81.9 | 106.4 | 155.9 | -57.7 | -16.1 | 0 | 0 | 0 | 118.5 | F283 | N281-F283 PolarHBondContact O-N 3.12Š| ||
| 282 | S | 31.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | 14.8 | 104.5 | 127.8 | 57 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 283 | F | 30.1 | Very low | 33.5 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -127.7 | 122.7 | 157.4 | -148.5 | -98 | 0 | 0 | 0 | 112.2 | N281 | N281-F283 PolarHBondContact O-N 3.12Š| ||
| 284 | T | 28.6 | Very low | 33.1 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -54.4 | 147 | 178.8 | -5.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 285 | L | 32.5 | Very low | 32.9 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -56.7 | 134.2 | 168.9 | -93.5 | 87 | 0 | 0 | 0 | 110.6 | V287 | L285-V287 PolarHBondContact O-N 3.35Š| ||
| 286 | P | 32.6 | Very low | 32.4 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -70.8 | 113.5 | 167.5 | 27.6 | -29.8 | 0 | 0 | 0 | 109.5 | ||||
| 287 | V | 29.1 | Very low | 31.8 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -79.6 | 113.2 | 156.3 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | L285 | L285-V287 PolarHBondContact O-N 3.35Š| ||
| 288 | N | 30.3 | Very low | 31.8 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 137.1 | 152.7 | -147.5 | 13.5 | 0 | 0 | 0 | 113.1 | ||||
| 289 | S | 27.2 | Very low | 31.2 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -73.9 | 151.6 | -173 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 290 | Q | 28.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 57.4 | 117.9 | 129.7 | -156.5 | 172.4 | -0.3 | 0 | 0 | 119.6 | D292 | Q290-D292 PolarHBondContact NE2-OD2 3.46Š| |||
| 291 | N | 32.7 | Very low | 30.8 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -162.7 | 108.2 | 144.2 | -87.8 | -23.2 | 0 | 0 | 0 | 104.4 | ||||
| 292 | D | 28.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | 47.3 | 105.8 | 64.3 | -74.8 | -36.8 | 0 | 0 | 0 | 114.4 | Q290 | Q290-D292 PolarHBondContact NE2-OD2 3.46Š| |||
| 293 | S | 31.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 160.6 | 104.8 | 149.8 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 294 | K | 28.4 | Very low | 30.7 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | 75.8 | 137.6 | 81.4 | -99.3 | -169 | 179.4 | -175.3 | 0 | 116.4 | |||||
| 295 | D | 30.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 82.6 | 143.9 | 156.5 | -54.3 | -23.2 | 0 | 0 | 0 | 117.1 | ||||
| 296 | S | 31 | Very low | 31.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | 173.8 | 146.9 | -13.7 | 51.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 297 | N | 29 | Very low | 31.2 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 127.6 | 149.4 | -66.9 | -11.9 | 0 | 0 | 0 | 122.8 | ||||
| 298 | L | 34.9 | Very low | 31.3 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | -179.8 | 98.3 | 129.9 | -94.6 | 148.6 | 0 | 0 | 0 | 106.7 | |||||
| 299 | E | 30.9 | Very low | 31.3 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | 60.5 | 111.8 | 92.4 | -76.3 | -153.4 | 170.6 | 0 | 0 | 116.4 | |||||
| 300 | D | 29.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 44.1 | 120 | 136.2 | -62.7 | -19.9 | 0 | 0 | 0 | 122.2 | ||||
| 301 | D | 36.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | -160.7 | 122.7 | 116.5 | -132.9 | -1.1 | 0 | 0 | 0 | 113.9 | |||||
| 302 | K | 29.4 | Very low | 31.7 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | trans | 63.4 | 127.7 | 132 | -86.5 | -179.4 | -152.2 | 109.5 | 0 | 125.4 | ||||
| 303 | C | 33.4 | Very low | 32 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | 126.7 | 111.4 | 110.4 | -94.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 304 | D | 29 | Very low | 32 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | 59.1 | 97.1 | 131.4 | -57 | -29.1 | 0 | 0 | 0 | 121.3 | ||||
| 305 | S | 41 | Very low | 32.3 | Very low | 199 Ų | 199 | 143.6 Ų | 143.6 | 100% | 1.392 | 80% | 0.797 | S | S | * | * | 179.1 | 0 | 113.7 | -73.5 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 305 of 305 residues in 152.8 ms
(Link to these results)