| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.4 | Low | 51.9 | Low | 199 Ų | 199 | 125.5 Ų | 125.5 | 98% | 0.98 | 66% | 0.657 | S | S | * | * | 0 | -29.5 | 0 | -84.4 | -161.4 | -79.5 | 0 | 0 | 113.4 | L4 | M1-L4 PolarHBondContact O-N 2.53Š| |||
| 2 | E | 53.4 | Low | 51.1 | Low | 163 Ų | 163 | 123.1 Ų | 123.1 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.5 | -34.2 | -177.6 | -68.4 | 172.9 | 136.7 | 0 | 0 | 113.9 | L4 R5 C6 | E2-L4 PolarHBondContact O-N 3.49Å; E2-R5 PolarHBondContact O-N 3.06Å; E2-R5 VanDerWaalsContact O-N 3.09Å; E2-C6 PolarHBondContact O-N 3.46Å |
| 3 | T | 54.3 | Low | 50.7 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 72% | 0.724 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.6 | -28.7 | 169.8 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | L7 | T3-L7 PolarHBondContact O-N 3.48Å |
| 4 | L | 51.6 | Low | 50.2 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -77.7 | -27.7 | 178.2 | -157.9 | 72.1 | 0 | 0 | 0 | 112.4 | M1 E2 L8 | M1-L4 PolarHBondContact O-N 2.53Å; E2-L4 PolarHBondContact O-N 3.49Å; L4-L8 HydrophobicContact CG-CD1 4.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 PolarHBondContact O-N 3.34Å |
| 5 | R | 57.3 | Low | 49.5 | Very low | 199 Ų | 199 | 122.1 Ų | 122.1 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.6 | -36.9 | 177.8 | -75.7 | -176.2 | 170.2 | 177.6 | -3.8 | 112.4 | E2 L8 A9 | E2-R5 PolarHBondContact O-N 3.06Å; E2-R5 VanDerWaalsContact O-N 3.09Å; R5-L8 PolarHBondContact O-N 3.32Å; R5-A9 PolarHBondContact O-N 2.96Å; R5-A9 VanDerWaalsContact O-N 3.12Å |
| 6 | C | 51.7 | Low | 48.9 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.5 | -37.2 | 172.4 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | E2 A9 L10 | E2-C6 PolarHBondContact O-N 3.46Å; C6-A9 PolarHBondContact O-N 3.49Å; C6-L10 PolarHBondContact O-N 3.29Å |
| 7 | L | 51.4 | Low | 48.3 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.2 | -38.6 | 176.3 | -98.4 | 152 | 0 | 0 | 0 | 113 | T3 L11 | T3-L7 PolarHBondContact O-N 3.48Å; L7-L11 PolarHBondContact O-N 3.34Å; L7-L11 VanDerWaalsContact O-N 3.15Å |
| 8 | L | 51.4 | Low | 47.9 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 60% | 0.597 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 173 | -98.7 | 82.1 | 0 | 0 | 0 | 112.7 | L4 R5 L10 L11 C12 | L4-L8 HydrophobicContact CG-CD1 4.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 PolarHBondContact O-N 3.34Å; R5-L8 PolarHBondContact O-N 3.32Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 3.39Å; L8-C12 PolarHBondContact O-N 3.18Å |
| 9 | A | 51 | Low | 47.1 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.8 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R5 C6 A13 | R5-A9 PolarHBondContact O-N 2.96Å; R5-A9 VanDerWaalsContact O-N 3.12Å; C6-A9 PolarHBondContact O-N 3.49Å; A9-A13 PolarHBondContact O-N 3.09Å |
| 10 | L | 50.1 | Low | 46.5 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.7 | -34.6 | 175.1 | -95.3 | 133.8 | 0 | 0 | 0 | 113.3 | C6 L8 A13 L14 | C6-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 3.12Å; L10-L14 PolarHBondContact O-N 3.36Å |
| 11 | L | 46.7 | Very low | 45.7 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 174.2 | -110.3 | 80.7 | 0 | 0 | 0 | 112.6 | L7 L8 A13 L14 L15 | L7-L11 PolarHBondContact O-N 3.34Å; L7-L11 VanDerWaalsContact O-N 3.15Å; L8-L11 PolarHBondContact O-N 3.39Å; L11-A13 VanDerWaalsContact C-N 3.26Å; L11-A13 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.34Å; L11-L15 HydrophobicContact CD2-CD1 4.49Å; L11-L15 PolarHBondContact O-N 3.5Å |
| 12 | C | 42.4 | Very low | 44.9 | Very low | 96 Ų | 96 | 122 Ų | 122 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -66.1 | -25.4 | 177.9 | -75 | 0 | 0 | 0 | 0 | 113.6 | L8 | L8-C12 PolarHBondContact O-N 3.18Å |
| 13 | A | 45 | Very low | 43.9 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 65% | 0.653 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.9 | -25.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A9 L10 L11 | A9-A13 PolarHBondContact O-N 3.09Å; L10-A13 PolarHBondContact O-N 3.12Å; L11-A13 VanDerWaalsContact C-N 3.26Å; L11-A13 PolarHBondContact O-N 3.48Å |
| 14 | L | 43.6 | Very low | 42.6 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -93.9 | -15.3 | -177.5 | -79.6 | 161.4 | 0 | 0 | 0 | 114.2 | L10 L11 | L10-L14 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.34Å |
| 15 | L | 40.5 | Very low | 41.5 | Very low | 135 Ų | 135 | 126 Ų | 126 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -98.5 | -1.3 | -179.6 | -79.7 | 161 | 0 | 0 | 0 | 114.7 | L11 G17 | L11-L15 HydrophobicContact CD2-CD1 4.49Å; L11-L15 PolarHBondContact O-N 3.5Å; L15-G17 VanDerWaalsContact C-N 3.35Å |
| 16 | A | 39.2 | Very low | 40.1 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -88.3 | 3.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 17 | G | 39.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -102.3 | -3.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L15 | L15-G17 VanDerWaalsContact C-N 3.35Š|
| 18 | A | 41.1 | Very low | 38.2 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -152.3 | 87.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 19 | Q | 31.9 | Very low | 37.3 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | -165.1 | 106.6 | 138.9 | -110.4 | 167.4 | 11.9 | 0 | 0 | 111.9 | ||||
| 20 | I | 34.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | 40.4 | 94 | 122.7 | -53.7 | 171.2 | 0 | 0 | 0 | 114.8 | I22 | I20-I22 HydrophobicContact CG2-CG1 4.37Š| |||
| 21 | Q | 30.2 | Very low | 35.8 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | -96.3 | 120.9 | 153 | -153.1 | 170.4 | 14.7 | 0 | 0 | 108.3 | Q23 | Q21-Q23 PolarHBondContact O-N 3.18Š| ||
| 22 | I | 35.9 | Very low | 35.6 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -66.8 | 114.9 | 179.1 | -67.4 | 155.7 | 0 | 0 | 0 | 108.7 | I20 | I20-I22 HydrophobicContact CG2-CG1 4.37Š| ||
| 23 | Q | 31.4 | Very low | 35.5 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -102.2 | 136.8 | 151.6 | -98.6 | -177.7 | -21.4 | 0 | 0 | 108.9 | Q21 | Q21-Q23 PolarHBondContact O-N 3.18Š| ||
| 24 | Q | 27.9 | Very low | 35.7 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 156.2 | 178.1 | -69.2 | 167.4 | -41.5 | 0 | 0 | 110.6 | T26 | Q24-T26 VanDerWaalsContact C-N 3.31Å; Q24-T26 PolarHBondContact O-N 3.43Å | ||
| 25 | P | 28.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -69.5 | 89.7 | 178.5 | 30.3 | -35.2 | 0 | 0 | 0 | 109.9 | F27 | P25-F27 PolarHBondContact O-N 3.15Š| ||
| 26 | T | 27.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -60.3 | 122.2 | 154.5 | 42.6 | 0 | 0 | 0 | 0 | 106.7 | Q24 A28 | Q24-T26 VanDerWaalsContact C-N 3.31Å; Q24-T26 PolarHBondContact O-N 3.43Å; T26-A28 PolarHBondContact O-N 3.45Å | ||
| 27 | F | 34.6 | Very low | 40.5 | Very low | 211 Ų | 211 | 126 Ų | 126 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | -63.5 | 74.2 | 171 | -99.1 | -106.4 | 0 | 0 | 0 | 109.5 | P25 A29 | P25-F27 PolarHBondContact O-N 3.15Å; F27-A29 PolarHBondContact O-N 3.07Å | ||
| 28 | A | 29.1 | Very low | 42.9 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 69% | 0.686 | 65% | 0.651 | S | S | * | * | trans | -88.7 | 72.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | T26 R30 | T26-A28 PolarHBondContact O-N 3.45Å; A28-R30 VanDerWaalsContact C-N 3.25Å; A28-R30 PolarHBondContact O-N 3.48Å | ||
| 29 | A | 31.4 | Very low | 45.5 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | trans | -55.1 | 105 | 148.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | F27 F31 | F27-A29 PolarHBondContact O-N 3.07Å; A29-F31 PolarHBondContact O-N 3.32Å | ||
| 30 | R | 32.5 | Very low | 48.5 | Very low | 228 Ų | 228 | 110.6 Ų | 110.6 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -55.7 | 118.1 | 171.1 | -114.2 | 177.3 | 173.6 | 173.3 | -4.1 | 105.5 | A28 I32 | A28-R30 VanDerWaalsContact C-N 3.25Å; A28-R30 PolarHBondContact O-N 3.48Å; R30-I32 PolarHBondContact O-N 2.96Å | ||
| 31 | F | 36.9 | Very low | 51.5 | Low | 187 Ų | 187 | 103.3 Ų | 103.3 | 82% | 0.82 | 54% | 0.54 | S | S | * | . | trans | -65.9 | 86.6 | 170.2 | -87.7 | -99.2 | 0 | 0 | 0 | 107.7 | A29 G33 | A29-F31 PolarHBondContact O-N 3.32Å; F31-G33 PolarHBondContact O-N 3.13Å; F31-G33 VanDerWaalsContact O-N 3.09Å | ||
| 32 | I | 42.2 | Very low | 54.7 | Low | 142 Ų | 142 | 94 Ų | 94 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 96.9 | 167.3 | -58.1 | 169.2 | 0 | 0 | 0 | 105 | R30 | R30-I32 PolarHBondContact O-N 2.96Š|
| 33 | G | 41.9 | Very low | 57.6 | Low | 47 Ų | 47 | 87 Ų | 87 | 49% | 0.485 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 168.4 | -27.3 | 180 | 0 | 0 | 0 | 0 | 0 | 118 | F31 | F31-G33 PolarHBondContact O-N 3.13Å; F31-G33 VanDerWaalsContact O-N 3.09Å |
| 34 | E | 48.8 | Very low | 60.8 | Low | 133 Ų | 133 | 78.1 Ų | 78.1 | 62% | 0.621 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -96.4 | -19.8 | -172.8 | -99.8 | 178.7 | 161.1 | 0 | 0 | 115.5 | ||
| 35 | T | 60.2 | Low | 64 | Low | 71 Ų | 71 | 70 Ų | 70 | 44% | 0.436 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -112.5 | -11.5 | -175.6 | 51.2 | 0 | 0 | 0 | 0 | 115.2 | R85 V86 | T35-R85 CarbonylContact O-C 3.57Å; T35-R85 VanDerWaalsContact O-CA 3.22Å; T35-R85 WeakPolarHBondContact O-CA 3.35Å; T35-R85 WeakPolarHBondContact O-CB 3.44Å; T35-V86 PolarHBondContact O-N 2.61Å |
| 36 | D | 77.4 | Confident | 67.1 | Low | 32 Ų | 32 | 64.4 Ų | 64.4 | 17% | 0.171 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.9 | -164.9 | -65.4 | 17.2 | 0 | 0 | 0 | 109.8 | P38 M88 R110 | D36-P38 WeakPolarHBondContact O-CD 3.34Å; D36-M88 HydrophobicContact CB-CG 4.04Å; D36-R110 IonicContact OD2-NH1 3.59Å |
| 37 | C | 86.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 93.1 | 176.2 | -161.1 | 0 | 0 | 0 | 0 | 109.8 | V86 L87 M88 N153 C245 | C37-V86 PolarHBondContact N-O 3.38Å; C37-L87 WeakPolarHBondContact O-CA 3.33Å; C37-M88 PolarHBondContact O-N 3.06Å; C37-N153 PolarHBondContact SG-ND2 3.14Å; C37-N153 VanDerWaalsContact SG-ND2 3.38Å; C37-C245 HydrophobicContact CB-CB 3.74Å; C37-C245 WeakPolarHBondContact CB-SG 3.44Å; C37-C245 VanDerWaalsContact SG-CA 3.57Å; C37-C245 WeakPolarHBondContact SG-CB 3.11Å; C37-C245 CovalentContact SG-SG 2.02Å; C37-C245 PolarHBondContact SG-SG 3.31Å |
| 38 | P | 90.4 | Very high | 72.7 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 146.1 | 178.6 | 29.5 | -35 | 0 | 0 | 0 | 112.1 | D36 M88 S148 Y150 N153 | D36-P38 WeakPolarHBondContact O-CD 3.34Å; P38-M88 CarbonylContact C-O 3.59Å; P38-M88 WeakPolarHBondContact CA-O 3.32Å; P38-S148 VanDerWaalsContact CG-CB 3.46Å; P38-Y150 HydrophobicContact CG-CD2 3.79Å; P38-Y150 HydrophobicContact CG-CE2 4.17Å; P38-N153 WeakPolarHBondContact O-CB 3.35Å; P38-N153 PolarHBondContact O-ND2 2.68Å; P38-N153 VanDerWaalsContact O-ND2 3.13Å |
| 39 | V | 94.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.6 | 173.3 | -179 | 0 | 0 | 0 | 0 | 107.5 | L87 M88 W89 N90 N153 Y155 I237 T241 | V39-L87 HydrophobicContact CB-CD2 4.48Å; V39-L87 HydrophobicContact CG2-CD1 3.97Å; V39-L87 HydrophobicContact CG2-CD2 3.87Å; V39-L87 HydrophobicContact CG2-CG 3.74Å; V39-M88 PolarHBondContact N-O 3.12Å; V39-W89 HydrophobicContact CB-CE3 3.98Å; V39-W89 HydrophobicContact CB-CZ3 4.17Å; V39-W89 HydrophobicContact CG1-CE3 3.84Å; V39-W89 HydrophobicContact CG1-CH2 4.31Å; V39-W89 HydrophobicContact CG1-CZ3 3.58Å; V39-N90 PolarHBondContact O-N 3.35Å; V39-N153 HydrophobicContact CG2-CB 4.46Å; V39-Y155 HydrophobicContact CG1-CD2 3.69Å; V39-Y155 HydrophobicContact CG1-CE2 3.9Å; V39-I237 HydrophobicContact CG1-CG2 3.74Å; V39-T241 HydrophobicContact CG1-CG2 4.39Å; V39-T241 HydrophobicContact CG2-CG2 3.76Å |
| 40 | D | 95.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.5 | -175.4 | -53.4 | -50.2 | 0 | 0 | 0 | 109.2 | N90 L106 L143 S148 N153 K154 Y155 | D40-N90 PolarHBondContact OD1-ND2 3.28Å; D40-L106 HydrophobicContact CB-CD1 4.42Å; D40-L106 HydrophobicContact CB-CD2 3.79Å; D40-L143 HydrophobicContact CB-CD2 3.57Å; D40-S148 PolarHBondContact OD1-N 3.46Å; D40-S148 WeakPolarHBondContact OD2-CB 3.22Å; D40-S148 PolarHBondContact OD2-N 3.22Å; D40-S148 PolarHBondContact OD2-OG 2.92Å; D40-N153 PolarHBondContact N-O 3.42Å; D40-K154 HydrophobicContact CB-CG 4.36Å; D40-K154 IonicContact OD2-NZ 2.83Å; D40-K154 PolarHBondContact OD2-NZ 3.49Å; D40-Y155 PolarHBondContact O-N 3.35Å |
| 41 | L | 96.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.1 | -175 | -176.8 | 70 | 0 | 0 | 0 | 111.4 | F43 F72 L76 W89 N90 S91 G92 Y155 V157 I237 | L41-F43 HydrophobicContact CD2-CE2 4.2Å; L41-F43 HydrophobicContact CD2-CZ 3.82Å; L41-F43 HydrophobicContact CG-CE2 4.49Å; L41-F43 HydrophobicContact CG-CZ 4.37Å; L41-F72 HydrophobicContact CD2-CD1 4.23Å; L41-F72 HydrophobicContact CD2-CE1 3.7Å; L41-F72 HydrophobicContact CD2-CZ 4.39Å; L41-L76 HydrophobicContact CD2-CD1 3.98Å; L41-L76 HydrophobicContact CD2-CD2 3.65Å; L41-L76 HydrophobicContact CD2-CG 4.44Å; L41-W89 HydrophobicContact CB-CE3 4.33Å; L41-W89 HydrophobicContact CB-CZ3 4.38Å; L41-W89 HydrophobicContact CD2-CE3 4.47Å; L41-W89 HydrophobicContact CD2-CZ3 4.21Å; L41-N90 PolarHBondContact N-O 2.79Å; L41-S91 WeakPolarHBondContact O-CA 3.39Å; L41-S91 WeakPolarHBondContact O-CB 2.97Å; L41-S91 PolarHBondContact O-OG 3.45Å; L41-G92 PolarHBondContact O-N 3.39Å; L41-Y155 CarbonylContact C-O 3.3Å; L41-Y155 WeakPolarHBondContact CA-O 3.5Å; L41-V157 HydrophobicContact CD1-CG2 3.77Å; L41-I237 HydrophobicContact CD1-CD1 4Å |
| 42 | F | 97.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.9 | -178.3 | -150.5 | -87.6 | 0 | 0 | 0 | 112.4 | V44 L94 L102 L106 E142 L143 Y155 I156 V157 | F42-V44 HydrophobicContact CD1-CG2 4.42Å; F42-L94 HydrophobicContact CE1-CB 4.05Å; F42-L94 HydrophobicContact CE1-CD2 3.88Å; F42-L94 HydrophobicContact CE1-CG 3.85Å; F42-L102 HydrophobicContact CZ-CD1 3.71Å; F42-L106 HydrophobicContact CD2-CD1 4Å; F42-E142 HydrophobicContact CD2-CB 3.97Å; F42-E142 HydrophobicContact CE1-CG 4.32Å; F42-E142 HydrophobicContact CE2-CB 3.6Å; F42-E142 HydrophobicContact CE2-CG 3.85Å; F42-E142 HydrophobicContact CZ-CB 3.96Å; F42-E142 HydrophobicContact CZ-CG 3.69Å; F42-L143 HydrophobicContact CB-CD1 3.93Å; F42-L143 HydrophobicContact CB-CD2 4.05Å; F42-L143 HydrophobicContact CB-CG 3.86Å; F42-Y155 PolarHBondContact N-O 3.21Å; F42-I156 CarbonylContact O-C 3.57Å; F42-I156 VanDerWaalsContact O-CA 3.28Å; F42-I156 WeakPolarHBondContact O-CA 3.37Å; F42-V157 PolarHBondContact O-N 3.36Å |
| 43 | F | 98.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.9 | 178.1 | -67.2 | -77.9 | 0 | 0 | 0 | 111.8 | L41 L45 T69 F72 V73 S91 G92 A93 L94 V157 | L41-F43 HydrophobicContact CD2-CE2 4.2Å; L41-F43 HydrophobicContact CD2-CZ 3.82Å; L41-F43 HydrophobicContact CG-CE2 4.49Å; L41-F43 HydrophobicContact CG-CZ 4.37Å; F43-L45 HydrophobicContact CB-CD2 4.02Å; F43-L45 HydrophobicContact CB-CG 4.26Å; F43-T69 HydrophobicContact CB-CG2 4.16Å; F43-T69 HydrophobicContact CD1-CG2 3.76Å; F43-T69 HydrophobicContact CD2-CG2 3.84Å; F43-T69 HydrophobicContact CE1-CG2 4.07Å; F43-T69 HydrophobicContact CE2-CG2 4.13Å; F43-T69 HydrophobicContact CG-CG2 3.64Å; F43-T69 HydrophobicContact CZ-CG2 4.25Å; F43-F72 HydrophobicContact CE1-CB 4.16Å; F43-F72 HydrophobicContact CE1-CD1 4.14Å; F43-F72 AromaticContact CE1-CD2 3.98Å; F43-F72 HydrophobicContact CE1-CD2 3.98Å; F43-F72 HydrophobicContact CE1-CE2 4.42Å; F43-F72 AromaticContact CE1-CG 3.84Å; F43-F72 HydrophobicContact CE1-CG 3.84Å; F43-F72 HydrophobicContact CZ-CB 3.99Å; F43-F72 AromaticContact CZ-CD1 3.72Å; F43-F72 HydrophobicContact CZ-CD1 3.72Å; F43-F72 HydrophobicContact CZ-CD2 4.37Å; F43-F72 HydrophobicContact CZ-CE1 4.3Å; F43-F72 AromaticContact CZ-CG 3.78Å; F43-F72 HydrophobicContact CZ-CG 3.78Å; F43-V73 HydrophobicContact CE2-CG2 3.73Å; F43-V73 HydrophobicContact CZ-CG2 4.26Å; F43-S91 WeakPolarHBondContact CE2-OG 3.17Å; F43-G92 PolarHBondContact N-O 3.33Å; F43-A93 HydrophobicContact CB-CB 3.97Å; F43-A93 CarbonylContact O-C 3.57Å; F43-A93 WeakPolarHBondContact O-CA 3.48Å; F43-L94 PolarHBondContact O-N 3.05Å; F43-V157 HydrophobicContact CD1-CB 3.84Å; F43-V157 HydrophobicContact CD1-CG1 4.12Å; F43-V157 HydrophobicContact CE1-CB 4Å; F43-V157 HydrophobicContact CE1-CG1 4.17Å; F43-V157 HydrophobicContact CE1-CG2 4.35Å |
| 44 | V | 97.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 108.6 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 107.8 | F42 L94 Y96 A135 I156 V157 V158 V159 | F42-V44 HydrophobicContact CD1-CG2 4.42Å; V44-L94 HydrophobicContact CB-CD1 4.23Å; V44-L94 HydrophobicContact CG1-CD1 3.94Å; V44-L94 HydrophobicContact CG2-CD1 4.07Å; V44-L94 HydrophobicContact CG2-CD2 4.35Å; V44-L94 HydrophobicContact CG2-CG 4.08Å; V44-Y96 HydrophobicContact CG1-CD1 3.91Å; V44-Y96 HydrophobicContact CG1-CE1 3.58Å; V44-A135 HydrophobicContact CG1-CB 3.76Å; V44-I156 HydrophobicContact CB-CG2 4.23Å; V44-I156 HydrophobicContact CG2-CG2 3.67Å; V44-V157 PolarHBondContact N-O 3.11Å; V44-V158 HydrophobicContact CB-CG2 4.15Å; V44-V158 HydrophobicContact CG1-CG1 4.17Å; V44-V158 HydrophobicContact CG1-CG2 4.31Å; V44-V158 WeakPolarHBondContact O-CA 3.14Å; V44-V159 PolarHBondContact O-N 3.23Å |
| 45 | L | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.8 | -163.4 | -55.4 | -178.5 | 0 | 0 | 0 | 111.7 | F43 T47 I65 T69 L94 H95 Y96 I123 V159 | F43-L45 HydrophobicContact CB-CD2 4.02Å; F43-L45 HydrophobicContact CB-CG 4.26Å; L45-T47 PolarHBondContact O-N 3.26Å; L45-I65 HydrophobicContact CB-CG2 3.95Å; L45-I65 HydrophobicContact CD1-CG2 4.14Å; L45-I65 HydrophobicContact CD2-CG2 3.8Å; L45-I65 HydrophobicContact CG-CG2 4.17Å; L45-T69 HydrophobicContact CD1-CG2 4.31Å; L45-T69 HydrophobicContact CD2-CG2 4.39Å; L45-T69 WeakPolarHBondContact CD2-OG1 3.42Å; L45-L94 WeakPolarHBondContact CB-O 3.2Å; L45-L94 WeakPolarHBondContact CG-O 3.47Å; L45-L94 PolarHBondContact N-O 3Å; L45-H95 HydrophobicContact CB-CB 4.02Å; L45-H95 CarbonylContact O-C 3.58Å; L45-H95 WeakPolarHBondContact O-CA 3.25Å; L45-H95 WeakPolarHBondContact O-CB 3.42Å; L45-Y96 VanDerWaalsContact O-CD1 3.25Å; L45-Y96 WeakPolarHBondContact O-CD1 3.28Å; L45-Y96 PolarHBondContact O-N 3.2Å; L45-I123 HydrophobicContact CD1-CD1 3.67Å; L45-V159 HydrophobicContact CD2-CB 4.09Å; L45-V159 HydrophobicContact CD2-CG2 3.9Å |
| 46 | D | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.4 | -177.9 | -166.9 | -19.6 | 0 | 0 | 0 | 111.8 | S48 V51 I65 Y96 T130 V159 T160 | D46-S48 WeakPolarHBondContact OD1-CB 3.44Å; D46-S48 PolarHBondContact OD1-N 3.3Å; D46-S48 PolarHBondContact OD1-OG 3.26Å; D46-V51 HydrophobicContact CB-CG2 4Å; D46-I65 WeakPolarHBondContact O-CD1 3.26Å; D46-Y96 HydrophobicContact CB-CE1 3.84Å; D46-Y96 HydrophobicContact CB-CE2 4.39Å; D46-Y96 PolarHBondContact OD2-OH 3.23Å; D46-T130 WeakPolarHBondContact OD2-CG2 3.48Å; D46-V159 WeakPolarHBondContact CB-O 3.28Å; D46-V159 PolarHBondContact N-O 3.2Å; D46-T160 VanDerWaalsContact OD2-CB 3.31Å; D46-T160 WeakPolarHBondContact OD2-CB 3.48Å; D46-T160 PolarHBondContact OD2-OG1 3.48Å |
| 47 | T | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | trans | -120.8 | 22.3 | 178.3 | 58 | 0 | 0 | 0 | 0 | 112.1 | L45 I62 H95 Y96 I123 Y125 | L45-T47 PolarHBondContact O-N 3.26Å; T47-I62 HydrophobicContact CG2-CD1 3.98Å; T47-I62 HydrophobicContact CG2-CG2 4.43Å; T47-H95 HydrophobicContact CG2-CB 3.89Å; T47-H95 PolarHBondContact OG1-ND1 2.67Å; T47-Y96 CarbonylContact C-O 3.53Å; T47-Y96 WeakPolarHBondContact CA-O 3.44Å; T47-Y96 PolarHBondContact N-O 3.1Å; T47-Y96 PolarHBondContact OG1-O 3.22Å; T47-I123 HydrophobicContact CG2-CG2 3.84Å; T47-Y125 VanDerWaalsContact O-CD2 3.3Å; T47-Y125 WeakPolarHBondContact O-CD2 3.46Å | ||
| 48 | S | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -70.1 | 169.6 | 178.8 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | D46 S50 V51 A52 Y96 G129 T130 | D46-S48 WeakPolarHBondContact OD1-CB 3.44Å; D46-S48 PolarHBondContact OD1-N 3.3Å; D46-S48 PolarHBondContact OD1-OG 3.26Å; S48-S50 VanDerWaalsContact C-N 3.28Å; S48-S50 PolarHBondContact O-N 3.13Å; S48-S50 PolarHBondContact OG-OG 3.46Å; S48-S50 VanDerWaalsContact OG-OG 3.06Å; S48-V51 PolarHBondContact O-N 2.8Å; S48-A52 PolarHBondContact O-N 3.36Å; S48-Y96 PolarHBondContact N-O 3.49Å; S48-G129 WeakPolarHBondContact CB-O 3.36Å; S48-T130 VanDerWaalsContact CB-OG1 3.31Å; S48-T130 WeakPolarHBondContact CB-OG1 3.3Å; S48-T130 PolarHBondContact OG-OG1 3.26Å; S48-T130 VanDerWaalsContact OG-OG1 3.09Å |
| 49 | E | 85.9 | Confident | 86.7 | Confident | 89 Ų | 89 | 37.1 Ų | 37.1 | 42% | 0.416 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 177.9 | -168 | 171.2 | 163.8 | 0 | 0 | 112.6 | V51 A52 L53 K128 | E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 3.3Å; E49-A52 PolarHBondContact O-N 3.26Å; E49-L53 HydrophobicContact CG-CB 4.47Å; E49-L53 HydrophobicContact CG-CD1 3.37Å; E49-L53 HydrophobicContact CG-CG 3.67Å; E49-L53 PolarHBondContact O-N 2.68Å; E49-L53 VanDerWaalsContact OE1-CD1 3.31Å; E49-L53 WeakPolarHBondContact OE1-CD1 3.41Å; E49-K128 WeakPolarHBondContact CB-O 3.49Å; E49-K128 PolarHBondContact N-O 2.71Å; E49-K128 WeakPolarHBondContact OE2-CA 3.33Å |
| 50 | S | 83.3 | Confident | 86.3 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 112 | S48 R54 T130 D161 | S48-S50 VanDerWaalsContact C-N 3.28Å; S48-S50 PolarHBondContact O-N 3.13Å; S48-S50 PolarHBondContact OG-OG 3.46Å; S48-S50 VanDerWaalsContact OG-OG 3.06Å; S50-R54 WeakPolarHBondContact O-CD 3.22Å; S50-R54 WeakPolarHBondContact O-CG 3.41Å; S50-R54 PolarHBondContact O-NE 2.68Å; S50-T130 PolarHBondContact OG-OG1 3.34Å; S50-D161 WeakPolarHBondContact CB-OD2 3.34Å; S50-D161 VanDerWaalsContact O-OD2 3.11Å; S50-D161 PolarHBondContact OG-OD1 2.92Å; S50-D161 PolarHBondContact OG-OD2 3.05Å |
| 51 | V | 84.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -81.2 | -50.5 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | D46 S48 E49 Y61 I62 I65 D161 I194 | D46-V51 HydrophobicContact CB-CG2 4Å; S48-V51 PolarHBondContact O-N 2.8Å; E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 3.3Å; V51-Y61 WeakPolarHBondContact O-CD2 3.34Å; V51-I62 HydrophobicContact CG1-CD1 4.41Å; V51-I65 HydrophobicContact CG1-CD1 4.08Å; V51-D161 HydrophobicContact CG2-CB 4.07Å; V51-I194 HydrophobicContact CG1-CG2 3.9Å; V51-I194 HydrophobicContact CG2-CG2 3.99Å |
| 52 | A | 82.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.4 | -40.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S48 E49 R54 P58 I62 Y125 | S48-A52 PolarHBondContact O-N 3.36Å; E49-A52 PolarHBondContact O-N 3.26Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 PolarHBondContact O-N 3.22Å; A52-P58 VanDerWaalsContact O-CA 3.32Å; A52-P58 WeakPolarHBondContact O-CA 3.19Å; A52-I62 HydrophobicContact CB-CD1 4.2Å; A52-I62 HydrophobicContact CB-CG1 4.31Å; A52-Y125 HydrophobicContact CB-CD2 3.34Å; A52-Y125 HydrophobicContact CB-CE2 3.17Å; A52-Y125 HydrophobicContact CB-CG 4.23Å |
| 53 | L | 79.1 | Confident | 85.2 | Confident | 96 Ų | 96 | 44.7 Ų | 44.7 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.5 | -172 | -63.3 | -166.1 | 0 | 0 | 0 | 114.6 | E49 Q55 P58 | E49-L53 HydrophobicContact CG-CB 4.47Å; E49-L53 HydrophobicContact CG-CD1 3.37Å; E49-L53 HydrophobicContact CG-CG 3.67Å; E49-L53 PolarHBondContact O-N 2.68Å; E49-L53 VanDerWaalsContact OE1-CD1 3.31Å; E49-L53 WeakPolarHBondContact OE1-CD1 3.41Å; L53-Q55 PolarHBondContact O-N 3.41Å; L53-P58 HydrophobicContact CD2-CB 4.07Å |
| 54 | R | 76.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.8 | 178 | -74.7 | 174.2 | -173.9 | -114.6 | 8 | 114 | S50 A52 Y61 D161 S195 D197 | S50-R54 WeakPolarHBondContact O-CD 3.22Å; S50-R54 WeakPolarHBondContact O-CG 3.41Å; S50-R54 PolarHBondContact O-NE 2.68Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 PolarHBondContact O-N 3.22Å; R54-Y61 HydrophobicContact CB-CD2 3.99Å; R54-Y61 HydrophobicContact CB-CE2 3.58Å; R54-D161 IonicContact CZ-OD2 3.01Å; R54-D161 VanDerWaalsContact CZ-OD2 3.3Å; R54-D161 IonicContact NE-OD2 3.27Å; R54-D161 PolarHBondContact NE-OD2 3.09Å; R54-D161 VanDerWaalsContact NE-OD2 3.16Å; R54-D161 VanDerWaalsContact NH2-CG 3.33Å; R54-D161 IonicContact NH2-OD2 3.44Å; R54-D161 PolarHBondContact NH2-OD2 2.71Å; R54-S195 PolarHBondContact NH1-OG 3.27Å; R54-D197 PolarHBondContact NH1-O 3.02Å; R54-D197 PolarHBondContact NH2-O 3.38Å |
| 55 | Q | 76.6 | Confident | 84.5 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -147.4 | 152 | -180 | -170.3 | 159.2 | -13.1 | 0 | 0 | 111.8 | L53 P57 P58 F60 Y61 | L53-Q55 PolarHBondContact O-N 3.41Å; Q55-P57 CarbonylContact O-C 3.47Å; Q55-P57 VanDerWaalsContact O-C 3.3Å; Q55-P58 WeakPolarHBondContact O-CA 3.48Å; Q55-F60 HydrophobicContact CB-CB 4.44Å; Q55-F60 HydrophobicContact CB-CD1 4.04Å; Q55-F60 HydrophobicContact CB-CG 4.49Å; Q55-F60 VanDerWaalsContact CD-CD1 3.41Å; Q55-F60 VanDerWaalsContact CD-CE1 3.44Å; Q55-F60 HydrophobicContact CG-CB 4.46Å; Q55-F60 HydrophobicContact CG-CD1 3.98Å; Q55-F60 HydrophobicContact CG-CE1 4.48Å; Q55-F60 HydrophobicContact CG-CG 4.24Å; Q55-F60 VanDerWaalsContact OE1-CD1 3.25Å; Q55-Y61 HydrophobicContact CB-CD2 4.2Å; Q55-Y61 HydrophobicContact CB-CE2 3.71Å |
| 56 | K | 72.9 | Confident | 84.4 | Confident | 195 Ų | 195 | 47 Ų | 47 | 85% | 0.848 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -104.2 | 133 | 173.9 | -68.4 | -175 | -179.8 | -180 | 0 | 109.9 | ||
| 57 | P | 78.9 | Confident | 84.4 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | S | Bend | cis | -69.6 | 151.7 | -2.6 | 31.2 | -36 | 0 | 0 | 0 | 112.5 | Q55 N59 F60 | Q55-P57 CarbonylContact O-C 3.47Å; Q55-P57 VanDerWaalsContact O-C 3.3Å; P57-N59 PolarHBondContact O-N 3.36Å; P57-N59 VanDerWaalsContact O-N 3.08Å; P57-F60 VanDerWaalsContact O-CB 3.25Å; P57-F60 WeakPolarHBondContact O-CB 3.46Å; P57-F60 PolarHBondContact O-N 2.8Å |
| 58 | P | 70.3 | Confident | 84.6 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.5 | -173.4 | 26.3 | -35.9 | 0 | 0 | 0 | 114.2 | A52 L53 Q55 F60 | A52-P58 VanDerWaalsContact O-CA 3.32Å; A52-P58 WeakPolarHBondContact O-CA 3.19Å; L53-P58 HydrophobicContact CD2-CB 4.07Å; Q55-P58 WeakPolarHBondContact O-CA 3.48Å; P58-F60 PolarHBondContact O-N 3.09Å |
| 59 | N | 81.6 | Confident | 84.9 | Confident | 83 Ų | 83 | 50.8 Ų | 50.8 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.7 | -13 | 172.9 | -65.1 | 5.1 | 0 | 0 | 0 | 112.9 | P57 Y61 I62 D63 | P57-N59 PolarHBondContact O-N 3.36Å; P57-N59 VanDerWaalsContact O-N 3.08Å; N59-Y61 PolarHBondContact O-N 3.05Å; N59-I62 CarbonylContact O-C 3.55Å; N59-I62 WeakPolarHBondContact O-CA 3.22Å; N59-I62 WeakPolarHBondContact O-CB 3.31Å; N59-I62 PolarHBondContact O-N 3.12Å; N59-D63 WeakPolarHBondContact O-CB 3.37Å; N59-D63 PolarHBondContact O-N 3.02Å |
| 60 | F | 86.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.4 | -55 | -172.1 | 178.3 | -101.2 | 0 | 0 | 0 | 113.1 | Q55 P57 P58 D63 Q64 | Q55-F60 HydrophobicContact CB-CB 4.44Å; Q55-F60 HydrophobicContact CB-CD1 4.04Å; Q55-F60 HydrophobicContact CB-CG 4.49Å; Q55-F60 VanDerWaalsContact CD-CD1 3.41Å; Q55-F60 VanDerWaalsContact CD-CE1 3.44Å; Q55-F60 HydrophobicContact CG-CB 4.46Å; Q55-F60 HydrophobicContact CG-CD1 3.98Å; Q55-F60 HydrophobicContact CG-CE1 4.48Å; Q55-F60 HydrophobicContact CG-CG 4.24Å; Q55-F60 VanDerWaalsContact OE1-CD1 3.25Å; P57-F60 VanDerWaalsContact O-CB 3.25Å; P57-F60 WeakPolarHBondContact O-CB 3.46Å; P57-F60 PolarHBondContact O-N 2.8Å; P58-F60 PolarHBondContact O-N 3.09Å; F60-D63 PolarHBondContact O-N 3.47Å; F60-Q64 HydrophobicContact CE1-CG 4.46Å; F60-Q64 WeakPolarHBondContact O-CG 3.45Å; F60-Q64 PolarHBondContact O-N 2.63Å |
| 61 | Y | 86.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.2 | -32 | 178.2 | -73.9 | -72 | 0 | 0 | 0 | 112.8 | V51 R54 Q55 N59 Q64 I65 I194 | V51-Y61 WeakPolarHBondContact O-CD2 3.34Å; R54-Y61 HydrophobicContact CB-CD2 3.99Å; R54-Y61 HydrophobicContact CB-CE2 3.58Å; Q55-Y61 HydrophobicContact CB-CD2 4.2Å; Q55-Y61 HydrophobicContact CB-CE2 3.71Å; N59-Y61 PolarHBondContact O-N 3.05Å; Y61-Q64 WeakPolarHBondContact O-CB 3.43Å; Y61-Q64 PolarHBondContact O-N 3.31Å; Y61-I65 WeakPolarHBondContact O-CG1 3.4Å; Y61-I65 PolarHBondContact O-N 3.17Å; Y61-I194 HydrophobicContact CD1-CG1 4.25Å; Y61-I194 VanDerWaalsContact CD1-O 3.3Å; Y61-I194 WeakPolarHBondContact CD1-O 3.41Å; Y61-I194 VanDerWaalsContact CE1-O 3.29Å; Y61-I194 WeakPolarHBondContact CE1-O 3.21Å |
| 62 | I | 89 | Confident | 86.4 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.1 | -50.1 | -61.1 | 0 | 0 | 0 | 110.7 | T47 V51 A52 N59 Q64 I65 K66 I123 Y125 | T47-I62 HydrophobicContact CG2-CD1 3.98Å; T47-I62 HydrophobicContact CG2-CG2 4.43Å; V51-I62 HydrophobicContact CG1-CD1 4.41Å; A52-I62 HydrophobicContact CB-CD1 4.2Å; A52-I62 HydrophobicContact CB-CG1 4.31Å; N59-I62 CarbonylContact O-C 3.55Å; N59-I62 WeakPolarHBondContact O-CA 3.22Å; N59-I62 WeakPolarHBondContact O-CB 3.31Å; N59-I62 PolarHBondContact O-N 3.12Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-I65 WeakPolarHBondContact O-CB 3.35Å; I62-I65 PolarHBondContact O-N 3.3Å; I62-K66 WeakPolarHBondContact O-CG 3.23Å; I62-K66 PolarHBondContact O-N 2.98Å; I62-I123 HydrophobicContact CG2-CG2 4.47Å; I62-Y125 HydrophobicContact CD1-CD2 4.5Å |
| 63 | D | 89.3 | Confident | 87.1 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.7 | -33 | 175.7 | -66.6 | -30.5 | 0 | 0 | 0 | 111.3 | N59 F60 E67 | N59-D63 WeakPolarHBondContact O-CB 3.37Å; N59-D63 PolarHBondContact O-N 3.02Å; F60-D63 PolarHBondContact O-N 3.47Å; D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 3.35Å |
| 64 | Q | 89.6 | Confident | 87.9 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 169.4 | -68.5 | -153.5 | 83.7 | 0 | 0 | 112.6 | F60 Y61 I62 E67 F68 I194 | F60-Q64 HydrophobicContact CE1-CG 4.46Å; F60-Q64 WeakPolarHBondContact O-CG 3.45Å; F60-Q64 PolarHBondContact O-N 2.63Å; Y61-Q64 WeakPolarHBondContact O-CB 3.43Å; Y61-Q64 PolarHBondContact O-N 3.31Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-E67 PolarHBondContact O-N 3.33Å; Q64-F68 VanDerWaalsContact O-CB 3.26Å; Q64-F68 WeakPolarHBondContact O-CB 3.29Å; Q64-F68 PolarHBondContact O-N 3.36Å; Q64-I194 HydrophobicContact CB-CD1 4.22Å |
| 65 | I | 92.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -51.5 | 174.1 | -69.2 | 174 | 0 | 0 | 0 | 110 | L45 D46 V51 Y61 I62 E67 F68 T69 V159 I194 | L45-I65 HydrophobicContact CB-CG2 3.95Å; L45-I65 HydrophobicContact CD1-CG2 4.14Å; L45-I65 HydrophobicContact CD2-CG2 3.8Å; L45-I65 HydrophobicContact CG-CG2 4.17Å; D46-I65 WeakPolarHBondContact O-CD1 3.26Å; V51-I65 HydrophobicContact CG1-CD1 4.08Å; Y61-I65 WeakPolarHBondContact O-CG1 3.4Å; Y61-I65 PolarHBondContact O-N 3.17Å; I62-I65 WeakPolarHBondContact O-CB 3.35Å; I62-I65 PolarHBondContact O-N 3.3Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.27Å; I65-F68 PolarHBondContact O-N 2.96Å; I65-T69 WeakPolarHBondContact O-CB 3.14Å; I65-T69 PolarHBondContact O-N 3.05Å; I65-T69 PolarHBondContact O-OG1 3.33Å; I65-T69 VanDerWaalsContact O-OG1 3.06Å; I65-V159 HydrophobicContact CD1-CG1 4.5Å; I65-V159 HydrophobicContact CG1-CG1 3.98Å; I65-V159 HydrophobicContact CG2-CG1 4.48Å; I65-I194 HydrophobicContact CD1-CD1 4.45Å; I65-I194 HydrophobicContact CD1-CG1 3.95Å; I65-I194 HydrophobicContact CG1-CB 4.5Å; I65-I194 HydrophobicContact CG1-CD1 3.49Å; I65-I194 VanDerWaalsContact CG1-CD1 3.49Å; I65-I194 HydrophobicContact CG1-CG1 3.51Å |
| 66 | K | 93.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54 | -47.9 | 176 | -70.6 | 176.6 | 176.3 | -176.7 | 0 | 111.6 | I62 K70 I120 D121 I123 | I62-K66 WeakPolarHBondContact O-CG 3.23Å; I62-K66 PolarHBondContact O-N 2.98Å; K66-K70 WeakPolarHBondContact O-CB 3.44Å; K66-K70 VanDerWaalsContact O-CG 3.24Å; K66-K70 WeakPolarHBondContact O-CG 3.5Å; K66-K70 PolarHBondContact O-N 3.03Å; K66-I120 HydrophobicContact CB-CG2 4.18Å; K66-I120 WeakPolarHBondContact CE-O 3.49Å; K66-I120 HydrophobicContact CG-CG2 4.17Å; K66-I120 WeakPolarHBondContact CG-O 3.31Å; K66-D121 WeakPolarHBondContact CE-O 3.43Å; K66-D121 PolarHBondContact NZ-O 3.09Å; K66-I123 WeakPolarHBondContact CE-O 3.25Å; K66-I123 PolarHBondContact NZ-O 3.31Å |
| 67 | E | 92.6 | Very high | 90.5 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 38% | 0.379 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -179.4 | -166 | -173.5 | -145.7 | 0 | 0 | 111.9 | D63 Q64 I65 R71 | D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 3.35Å; Q64-E67 PolarHBondContact O-N 3.33Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.27Å; E67-R71 HydrophobicContact CG-CG 4.47Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 WeakPolarHBondContact O-CG 3.04Å; E67-R71 PolarHBondContact O-N 3.48Å; E67-R71 IonicContact OE1-CZ 2.67Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.69Å; E67-R71 PolarHBondContact OE1-NE 3.43Å; E67-R71 IonicContact OE1-NH2 3.55Å; E67-R71 PolarHBondContact OE1-NH2 2.8Å; E67-R71 IonicContact OE2-CZ 3.68Å; E67-R71 VanDerWaalsContact OE2-CZ 3.24Å; E67-R71 IonicContact OE2-NE 2.87Å; E67-R71 IonicContact OE2-NH1 3.12Å; E67-R71 IonicContact OE2-NH2 3.35Å; E67-R71 PolarHBondContact OE2-NH2 3.31Å |
| 68 | F | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -52.2 | 176.3 | 178 | -95.2 | 0 | 0 | 0 | 111.2 | Q64 I65 K70 R71 F72 V159 V192 A218 K226 T229 I230 | Q64-F68 VanDerWaalsContact O-CB 3.26Å; Q64-F68 WeakPolarHBondContact O-CB 3.29Å; Q64-F68 PolarHBondContact O-N 3.36Å; I65-F68 PolarHBondContact O-N 2.96Å; F68-K70 PolarHBondContact O-N 3.08Å; F68-R71 PolarHBondContact O-N 3.2Å; F68-F72 AromaticContact CE1-CD2 3.93Å; F68-F72 HydrophobicContact CE1-CD2 3.93Å; F68-F72 HydrophobicContact CZ-CD2 4.04Å; F68-F72 PolarHBondContact O-N 3.31Å; F68-V159 HydrophobicContact CD1-CG2 4.19Å; F68-V159 HydrophobicContact CE1-CG2 4.12Å; F68-V192 HydrophobicContact CE1-CG1 4.13Å; F68-V192 HydrophobicContact CE2-CG1 4.44Å; F68-V192 HydrophobicContact CZ-CG1 3.84Å; F68-A218 HydrophobicContact CB-CB 4.08Å; F68-A218 HydrophobicContact CD1-CB 4.14Å; F68-A218 HydrophobicContact CD2-CB 3.49Å; F68-A218 VanDerWaalsContact CD2-CB 3.49Å; F68-A218 HydrophobicContact CE1-CB 4.49Å; F68-A218 HydrophobicContact CE2-CB 3.9Å; F68-A218 HydrophobicContact CG-CB 3.63Å; F68-A218 HydrophobicContact CZ-CB 4.39Å; F68-K226 HydrophobicContact CD2-CB 4.45Å; F68-T229 HydrophobicContact CE2-CG2 4.17Å; F68-T229 HydrophobicContact CZ-CG2 4.12Å; F68-I230 HydrophobicContact CD2-CD1 4.14Å; F68-I230 HydrophobicContact CD2-CG1 4.21Å; F68-I230 HydrophobicContact CE2-CD1 4.06Å; F68-I230 HydrophobicContact CE2-CG1 3.63Å; F68-I230 HydrophobicContact CZ-CG1 3.9Å |
| 69 | T | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | -178.4 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | F43 L45 I65 R71 F72 V73 I120 | F43-T69 HydrophobicContact CB-CG2 4.16Å; F43-T69 HydrophobicContact CD1-CG2 3.76Å; F43-T69 HydrophobicContact CD2-CG2 3.84Å; F43-T69 HydrophobicContact CE1-CG2 4.07Å; F43-T69 HydrophobicContact CE2-CG2 4.13Å; F43-T69 HydrophobicContact CG-CG2 3.64Å; F43-T69 HydrophobicContact CZ-CG2 4.25Å; L45-T69 HydrophobicContact CD1-CG2 4.31Å; L45-T69 HydrophobicContact CD2-CG2 4.39Å; L45-T69 WeakPolarHBondContact CD2-OG1 3.42Å; I65-T69 WeakPolarHBondContact O-CB 3.14Å; I65-T69 PolarHBondContact O-N 3.05Å; I65-T69 PolarHBondContact O-OG1 3.33Å; I65-T69 VanDerWaalsContact O-OG1 3.06Å; T69-R71 VanDerWaalsContact C-N 3.35Å; T69-R71 PolarHBondContact O-N 3.05Å; T69-F72 WeakPolarHBondContact O-CB 3.03Å; T69-F72 PolarHBondContact O-N 3.32Å; T69-F72 VanDerWaalsContact O-N 3.16Å; T69-V73 WeakPolarHBondContact O-CG2 3.37Å; T69-V73 PolarHBondContact O-N 2.93Å; T69-I120 HydrophobicContact CG2-CD1 3.72Å |
| 70 | K | 95.8 | Very high | 91.8 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 174.8 | -71.2 | -174.7 | -47.3 | -174.6 | 0 | 112.4 | K66 F68 F72 V73 D74 K117 I120 D121 | K66-K70 WeakPolarHBondContact O-CB 3.44Å; K66-K70 VanDerWaalsContact O-CG 3.24Å; K66-K70 WeakPolarHBondContact O-CG 3.5Å; K66-K70 PolarHBondContact O-N 3.03Å; F68-K70 PolarHBondContact O-N 3.08Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-V73 PolarHBondContact O-N 3.47Å; K70-D74 PolarHBondContact O-N 3.41Å; K70-K117 HydrophobicContact CB-CG 4.43Å; K70-K117 HydrophobicContact CD-CB 4.33Å; K70-K117 HydrophobicContact CG-CB 4.25Å; K70-K117 HydrophobicContact CG-CG 4.14Å; K70-I120 HydrophobicContact CD-CG2 4.43Å; K70-I120 HydrophobicContact CG-CB 4.38Å; K70-I120 HydrophobicContact CG-CG2 3.91Å; K70-D121 WeakPolarHBondContact CD-OD2 3.41Å; K70-D121 WeakPolarHBondContact CE-OD1 3.45Å; K70-D121 IonicContact NZ-OD1 2.85Å; K70-D121 PolarHBondContact NZ-OD1 3.08Å; K70-D121 IonicContact NZ-OD2 3.31Å; K70-D121 PolarHBondContact NZ-OD2 3.42Å |
| 71 | R | 94.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 43 Ų | 43 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | 174.1 | -73 | 172.1 | 178.8 | -176 | 4.7 | 112.1 | E67 F68 T69 D74 E75 M227 I230 | E67-R71 HydrophobicContact CG-CG 4.47Å; E67-R71 WeakPolarHBondContact O-CB 3.37Å; E67-R71 WeakPolarHBondContact O-CG 3.04Å; E67-R71 PolarHBondContact O-N 3.48Å; E67-R71 IonicContact OE1-CZ 2.67Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 2.69Å; E67-R71 PolarHBondContact OE1-NE 3.43Å; E67-R71 IonicContact OE1-NH2 3.55Å; E67-R71 PolarHBondContact OE1-NH2 2.8Å; E67-R71 IonicContact OE2-CZ 3.68Å; E67-R71 VanDerWaalsContact OE2-CZ 3.24Å; E67-R71 IonicContact OE2-NE 2.87Å; E67-R71 IonicContact OE2-NH1 3.12Å; E67-R71 IonicContact OE2-NH2 3.35Å; E67-R71 PolarHBondContact OE2-NH2 3.31Å; F68-R71 PolarHBondContact O-N 3.2Å; T69-R71 VanDerWaalsContact C-N 3.35Å; T69-R71 PolarHBondContact O-N 3.05Å; R71-D74 PolarHBondContact O-N 3.34Å; R71-E75 PolarHBondContact O-N 3.44Å; R71-M227 HydrophobicContact CB-SD 4.36Å; R71-I230 HydrophobicContact CB-CD1 3.79Å |
| 72 | F | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -52.8 | 172.9 | -155.4 | -52 | 0 | 0 | 0 | 109.9 | L41 F43 F68 T69 K70 D74 E75 L76 V157 I230 I233 I234 | L41-F72 HydrophobicContact CD2-CD1 4.23Å; L41-F72 HydrophobicContact CD2-CE1 3.7Å; L41-F72 HydrophobicContact CD2-CZ 4.39Å; F43-F72 HydrophobicContact CE1-CB 4.16Å; F43-F72 HydrophobicContact CE1-CD1 4.14Å; F43-F72 AromaticContact CE1-CD2 3.98Å; F43-F72 HydrophobicContact CE1-CD2 3.98Å; F43-F72 HydrophobicContact CE1-CE2 4.42Å; F43-F72 AromaticContact CE1-CG 3.84Å; F43-F72 HydrophobicContact CE1-CG 3.84Å; F43-F72 HydrophobicContact CZ-CB 3.99Å; F43-F72 AromaticContact CZ-CD1 3.72Å; F43-F72 HydrophobicContact CZ-CD1 3.72Å; F43-F72 HydrophobicContact CZ-CD2 4.37Å; F43-F72 HydrophobicContact CZ-CE1 4.3Å; F43-F72 AromaticContact CZ-CG 3.78Å; F43-F72 HydrophobicContact CZ-CG 3.78Å; F68-F72 AromaticContact CE1-CD2 3.93Å; F68-F72 HydrophobicContact CE1-CD2 3.93Å; F68-F72 HydrophobicContact CZ-CD2 4.04Å; F68-F72 PolarHBondContact O-N 3.31Å; T69-F72 WeakPolarHBondContact O-CB 3.03Å; T69-F72 PolarHBondContact O-N 3.32Å; T69-F72 VanDerWaalsContact O-N 3.16Å; K70-F72 VanDerWaalsContact C-N 3.34Å; F72-D74 PolarHBondContact O-N 2.93Å; F72-E75 PolarHBondContact O-N 2.84Å; F72-L76 HydrophobicContact CD1-CD2 3.86Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CE1-CD2 3.8Å; F72-L76 PolarHBondContact O-N 3.12Å; F72-V157 HydrophobicContact CE2-CG1 4.41Å; F72-V157 HydrophobicContact CE2-CG2 4.33Å; F72-V157 HydrophobicContact CZ-CG2 4.29Å; F72-I230 HydrophobicContact CB-CD1 4.38Å; F72-I230 HydrophobicContact CB-CG1 4.18Å; F72-I230 HydrophobicContact CB-CG2 4.32Å; F72-I230 HydrophobicContact CD1-CG2 4.3Å; F72-I230 HydrophobicContact CD2-CB 4.36Å; F72-I230 HydrophobicContact CD2-CG1 3.84Å; F72-I230 HydrophobicContact CD2-CG2 4.25Å; F72-I230 HydrophobicContact CG-CG1 4.18Å; F72-I230 HydrophobicContact CG-CG2 4.03Å; F72-I233 HydrophobicContact CE2-CB 4.19Å; F72-I233 HydrophobicContact CE2-CD1 4.09Å; F72-I233 HydrophobicContact CE2-CG2 4.1Å; F72-I233 HydrophobicContact CZ-CB 3.98Å; F72-I233 HydrophobicContact CZ-CG2 3.63Å; F72-I234 HydrophobicContact CD1-CD1 4.1Å; F72-I234 HydrophobicContact CD1-CG1 4.33Å; F72-I234 HydrophobicContact CE1-CD1 3.86Å; F72-I234 HydrophobicContact CE1-CG1 3.58Å; F72-I234 HydrophobicContact CZ-CG1 4.07Å |
| 73 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.3 | -32.8 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | F43 T69 K70 M109 R113 L116 K117 I120 | F43-V73 HydrophobicContact CE2-CG2 3.73Å; F43-V73 HydrophobicContact CZ-CG2 4.26Å; T69-V73 WeakPolarHBondContact O-CG2 3.37Å; T69-V73 PolarHBondContact O-N 2.93Å; K70-V73 PolarHBondContact O-N 3.47Å; V73-M109 HydrophobicContact CG1-SD 4.15Å; V73-R113 HydrophobicContact CG1-CG 3.61Å; V73-R113 PolarHBondContact O-NH1 2.79Å; V73-L116 HydrophobicContact CG1-CD2 4.4Å; V73-L116 HydrophobicContact CG2-CD2 3.98Å; V73-K117 HydrophobicContact CB-CG 4.42Å; V73-K117 HydrophobicContact CG1-CD 4.17Å; V73-K117 HydrophobicContact CG1-CG 3.89Å; V73-I120 HydrophobicContact CG2-CD1 4.5Å |
| 74 | D | 95.1 | Very high | 89.6 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -71.7 | -24.8 | 174.6 | -77.1 | -27.2 | 0 | 0 | 0 | 114.4 | K70 R71 F72 K77 K117 | K70-D74 PolarHBondContact O-N 3.41Å; R71-D74 PolarHBondContact O-N 3.34Å; F72-D74 PolarHBondContact O-N 2.93Å; D74-K77 VanDerWaalsContact O-CE 3.26Å; D74-K77 WeakPolarHBondContact O-CE 3.35Å; D74-K117 WeakPolarHBondContact OD1-CE 3.12Å; D74-K117 IonicContact OD1-NZ 3.91Å; D74-K117 PolarHBondContact OD1-NZ 3.03Å; D74-K117 IonicContact OD2-NZ 3.63Å; D74-K117 PolarHBondContact OD2-NZ 3.27Å |
| 75 | E | 95.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -89.7 | -9.2 | 176.7 | -64.9 | -74.1 | 77.4 | 0 | 0 | 113.4 | R71 F72 K77 M227 I230 R231 I234 | R71-E75 PolarHBondContact O-N 3.44Å; F72-E75 PolarHBondContact O-N 2.84Å; E75-K77 VanDerWaalsContact C-N 3.26Å; E75-K77 PolarHBondContact O-N 3Å; E75-K77 IonicContact OE1-NZ 2.63Å; E75-K77 PolarHBondContact OE1-NZ 2.88Å; E75-M227 HydrophobicContact CG-CE 3.58Å; E75-M227 WeakPolarHBondContact OE2-CE 3.38Å; E75-I230 HydrophobicContact CB-CG2 3.96Å; E75-I230 HydrophobicContact CG-CG2 3.99Å; E75-R231 IonicContact OE2-CZ 2.65Å; E75-R231 VanDerWaalsContact OE2-CZ 3.31Å; E75-R231 IonicContact OE2-NE 2.85Å; E75-R231 PolarHBondContact OE2-NE 2.9Å; E75-R231 IonicContact OE2-NH2 3.43Å; E75-R231 PolarHBondContact OE2-NH2 3.19Å; E75-I234 HydrophobicContact CB-CD1 3.57Å |
| 76 | L | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -68 | 73.3 | 175.4 | -60.3 | -175.9 | 0 | 0 | 0 | 112.5 | L41 F72 W89 M109 R113 I234 | L41-L76 HydrophobicContact CD2-CD1 3.98Å; L41-L76 HydrophobicContact CD2-CD2 3.65Å; L41-L76 HydrophobicContact CD2-CG 4.44Å; F72-L76 HydrophobicContact CD1-CD2 3.86Å; F72-L76 HydrophobicContact CD1-CG 4.38Å; F72-L76 HydrophobicContact CE1-CD2 3.8Å; F72-L76 PolarHBondContact O-N 3.12Å; L76-W89 HydrophobicContact CB-CB 4.23Å; L76-W89 HydrophobicContact CB-CD2 4.17Å; L76-W89 HydrophobicContact CB-CG 3.93Å; L76-W89 HydrophobicContact CD2-CD2 3.92Å; L76-W89 HydrophobicContact CD2-CE3 3.81Å; L76-W89 HydrophobicContact CD2-CH2 4.19Å; L76-W89 HydrophobicContact CD2-CZ2 4.31Å; L76-W89 HydrophobicContact CD2-CZ3 3.94Å; L76-W89 HydrophobicContact CG-CD2 4.49Å; L76-M109 HydrophobicContact CD1-CG 4.26Å; L76-R113 VanDerWaalsContact O-CZ 3.24Å; L76-R113 PolarHBondContact O-NH1 2.78Å; L76-R113 PolarHBondContact O-NH2 2.72Å; L76-I234 HydrophobicContact CD2-CD1 4.09Å; L76-I234 HydrophobicContact CD2-CG1 4.26Å | ||
| 77 | K | 90.9 | Very high | 88.7 | Confident | 117 Ų | 117 | 55.8 Ų | 55.8 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | trans | -99.7 | 148.2 | -174 | -67.5 | 162.3 | -166.6 | 157.6 | 0 | 111.2 | D74 E75 W89 | D74-K77 VanDerWaalsContact O-CE 3.26Å; D74-K77 WeakPolarHBondContact O-CE 3.35Å; E75-K77 VanDerWaalsContact C-N 3.26Å; E75-K77 PolarHBondContact O-N 3Å; E75-K77 IonicContact OE1-NZ 2.63Å; E75-K77 PolarHBondContact OE1-NZ 2.88Å; K77-W89 PolarHBondContact O-NE1 3.29Å | ||
| 78 | E | 89.1 | Confident | 88.6 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 51% | 0.514 | 24% | 0.244 | S | C | . | . | trans | -59.1 | 139.5 | 171.4 | -63.7 | 177.2 | -168.2 | 0 | 0 | 110.4 | V86 L87 M88 R110 | E78-V86 HydrophobicContact CB-CG1 4.3Å; E78-L87 WeakPolarHBondContact CA-O 3.47Å; E78-M88 HydrophobicContact CG-CE 3.68Å; E78-M88 HydrophobicContact CG-SD 4.21Å; E78-M88 WeakPolarHBondContact OE1-CE 3.48Å; E78-R110 WeakPolarHBondContact OE1-CD 3.41Å; E78-R110 WeakPolarHBondContact OE1-CG 3.23Å | ||
| 79 | M | 85.5 | Confident | 88.6 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126 | 178.8 | -172.4 | -177.7 | 64.1 | 0 | 0 | 110.7 | H81 L87 T238 | M79-H81 VanDerWaalsContact CE-CE1 3.41Å; M79-H81 WeakPolarHBondContact CE-CE1 3.44Å; M79-L87 HydrophobicContact CB-CB 4.43Å; M79-L87 HydrophobicContact CE-CD1 4.4Å; M79-L87 PolarHBondContact N-O 3.01Å; M79-L87 WeakPolarHBondContact O-CB 3.4Å; M79-L87 PolarHBondContact O-N 3.43Å; M79-T238 HydrophobicContact CE-CG2 4.02Å |
| 80 | R | 83.4 | Confident | 88.6 | Confident | 169 Ų | 169 | 54.2 Ų | 54.2 | 64% | 0.638 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.4 | 174.4 | -168 | 174.1 | -176.2 | 157.3 | 0.5 | 109.9 | D84 R85 V86 | R80-D84 IonicContact CZ-OD1 2.53Å; R80-D84 IonicContact NE-OD1 3.52Å; R80-D84 PolarHBondContact NE-OD1 3.25Å; R80-D84 IonicContact NH2-OD1 3.32Å; R80-D84 PolarHBondContact NH2-OD1 2.74Å; R80-D84 IonicContact NH2-OD2 2.96Å; R80-D84 PolarHBondContact NH2-OD2 3.08Å; R80-D84 VanDerWaalsContact NH2-OD2 3.09Å; R80-R85 WeakPolarHBondContact CA-O 3.25Å; R80-V86 HydrophobicContact CG-CG2 4.39Å |
| 81 | H | 80 | Confident | 88.6 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | trans | -77.6 | 162.6 | 174.5 | -65.2 | -78.6 | 0 | 0 | 0 | 111.5 | M79 C83 D84 R85 L87 C246 | M79-H81 VanDerWaalsContact CE-CE1 3.41Å; M79-H81 WeakPolarHBondContact CE-CE1 3.44Å; H81-C83 PolarHBondContact O-N 3.18Å; H81-D84 PolarHBondContact O-N 3.34Å; H81-D84 VanDerWaalsContact O-N 3.08Å; H81-R85 PolarHBondContact N-O 3.37Å; H81-L87 WeakPolarHBondContact NE2-CD1 3.47Å; H81-C246 VanDerWaalsContact CB-SG 3.55Å | ||
| 82 | Q | 73.6 | Confident | 88.7 | Confident | 186 Ų | 186 | 49.9 Ų | 49.9 | 87% | 0.869 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | 177.9 | -70.1 | 177.9 | -26.9 | 0 | 0 | 114 | D84 | Q82-D84 PolarHBondContact O-N 3.24Š|
| 83 | C | 76.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 32% | 0.324 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 12.3 | 173.3 | 63 | 0 | 0 | 0 | 0 | 113.9 | H81 R85 C246 | H81-C83 PolarHBondContact O-N 3.18Å; C83-R85 PolarHBondContact O-N 3.49Å; C83-C246 HydrophobicContact CB-CB 3.49Å; C83-C246 VanDerWaalsContact CB-CB 3.49Å; C83-C246 WeakPolarHBondContact CB-SG 3.26Å; C83-C246 WeakPolarHBondContact SG-CA 3.02Å; C83-C246 WeakPolarHBondContact SG-CB 3.37Å; C83-C246 CovalentContact SG-SG 2.04Å; C83-C246 PolarHBondContact SG-SG 3.29Å |
| 84 | D | 75.9 | Confident | 88.8 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 65.4 | 13.3 | 179.8 | -133.3 | 31.6 | 0 | 0 | 0 | 117.1 | R80 H81 Q82 | R80-D84 IonicContact CZ-OD1 2.53Å; R80-D84 IonicContact NE-OD1 3.52Å; R80-D84 PolarHBondContact NE-OD1 3.25Å; R80-D84 IonicContact NH2-OD1 3.32Å; R80-D84 PolarHBondContact NH2-OD1 2.74Å; R80-D84 IonicContact NH2-OD2 2.96Å; R80-D84 PolarHBondContact NH2-OD2 3.08Å; R80-D84 VanDerWaalsContact NH2-OD2 3.09Å; H81-D84 PolarHBondContact O-N 3.34Å; H81-D84 VanDerWaalsContact O-N 3.08Å; Q82-D84 PolarHBondContact O-N 3.24Å |
| 85 | R | 82.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | trans | -88.5 | 151 | 166 | -66.4 | -157.4 | 179.4 | 162.1 | -6.5 | 112.7 | T35 R80 H81 C83 C245 | T35-R85 CarbonylContact O-C 3.57Å; T35-R85 VanDerWaalsContact O-CA 3.22Å; T35-R85 WeakPolarHBondContact O-CA 3.35Å; T35-R85 WeakPolarHBondContact O-CB 3.44Å; R80-R85 WeakPolarHBondContact CA-O 3.25Å; H81-R85 PolarHBondContact N-O 3.37Å; C83-R85 PolarHBondContact O-N 3.49Å; R85-C245 WeakPolarHBondContact CD-O 3.34Å; R85-C245 PolarHBondContact NH1-O 3.28Å; R85-C245 VanDerWaalsContact NH1-O 3.09Å | ||
| 86 | V | 85.7 | Confident | 88.7 | Confident | 32 Ų | 32 | 45.5 Ų | 45.5 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | T35 C37 E78 R80 M88 | T35-V86 PolarHBondContact O-N 2.61Å; C37-V86 PolarHBondContact N-O 3.38Å; E78-V86 HydrophobicContact CB-CG1 4.3Å; R80-V86 HydrophobicContact CG-CG2 4.39Å; V86-M88 HydrophobicContact CB-SD 4.08Å; V86-M88 HydrophobicContact CG1-SD 3.59Å; V86-M88 VanDerWaalsContact CG1-SD 3.59Å |
| 87 | L | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.1 | 173.1 | -170.4 | 153.6 | 0 | 0 | 0 | 109.7 | C37 V39 E78 M79 H81 W89 T238 T241 | C37-L87 WeakPolarHBondContact O-CA 3.33Å; V39-L87 HydrophobicContact CB-CD2 4.48Å; V39-L87 HydrophobicContact CG2-CD1 3.97Å; V39-L87 HydrophobicContact CG2-CD2 3.87Å; V39-L87 HydrophobicContact CG2-CG 3.74Å; E78-L87 WeakPolarHBondContact CA-O 3.47Å; M79-L87 HydrophobicContact CB-CB 4.43Å; M79-L87 HydrophobicContact CE-CD1 4.4Å; M79-L87 PolarHBondContact N-O 3.01Å; M79-L87 WeakPolarHBondContact O-CB 3.4Å; M79-L87 PolarHBondContact O-N 3.43Å; H81-L87 WeakPolarHBondContact NE2-CD1 3.47Å; L87-W89 HydrophobicContact CD2-CD2 4.02Å; L87-W89 VanDerWaalsContact CD2-CE2 3.43Å; L87-W89 HydrophobicContact CD2-CG 4.28Å; L87-W89 HydrophobicContact CD2-CZ2 3.8Å; L87-W89 VanDerWaalsContact CD2-NE1 3.31Å; L87-T238 HydrophobicContact CD1-CG2 3.94Å; L87-T241 WeakPolarHBondContact CD1-OG1 3.45Å |
| 88 | M | 90.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 148.2 | -178.7 | -50.3 | -52.8 | -52.8 | 0 | 0 | 109.6 | D36 C37 P38 V39 E78 V86 R110 | D36-M88 HydrophobicContact CB-CG 4.04Å; C37-M88 PolarHBondContact O-N 3.06Å; P38-M88 CarbonylContact C-O 3.59Å; P38-M88 WeakPolarHBondContact CA-O 3.32Å; V39-M88 PolarHBondContact N-O 3.12Å; E78-M88 HydrophobicContact CG-CE 3.68Å; E78-M88 HydrophobicContact CG-SD 4.21Å; E78-M88 WeakPolarHBondContact OE1-CE 3.48Å; V86-M88 HydrophobicContact CB-SD 4.08Å; V86-M88 HydrophobicContact CG1-SD 3.59Å; V86-M88 VanDerWaalsContact CG1-SD 3.59Å; M88-R110 VanDerWaalsContact CE-CD 3.49Å; M88-R110 HydrophobicContact CE-CG 3.97Å |
| 89 | W | 94.3 | Very high | 88 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.8 | -179.4 | -65.6 | 94.9 | 0 | 0 | 0 | 111.4 | V39 L41 L76 K77 L87 M109 I234 I237 T238 | V39-W89 HydrophobicContact CB-CE3 3.98Å; V39-W89 HydrophobicContact CB-CZ3 4.17Å; V39-W89 HydrophobicContact CG1-CE3 3.84Å; V39-W89 HydrophobicContact CG1-CH2 4.31Å; V39-W89 HydrophobicContact CG1-CZ3 3.58Å; L41-W89 HydrophobicContact CB-CE3 4.33Å; L41-W89 HydrophobicContact CB-CZ3 4.38Å; L41-W89 HydrophobicContact CD2-CE3 4.47Å; L41-W89 HydrophobicContact CD2-CZ3 4.21Å; L76-W89 HydrophobicContact CB-CB 4.23Å; L76-W89 HydrophobicContact CB-CD2 4.17Å; L76-W89 HydrophobicContact CB-CG 3.93Å; L76-W89 HydrophobicContact CD2-CD2 3.92Å; L76-W89 HydrophobicContact CD2-CE3 3.81Å; L76-W89 HydrophobicContact CD2-CH2 4.19Å; L76-W89 HydrophobicContact CD2-CZ2 4.31Å; L76-W89 HydrophobicContact CD2-CZ3 3.94Å; L76-W89 HydrophobicContact CG-CD2 4.49Å; K77-W89 PolarHBondContact O-NE1 3.29Å; L87-W89 HydrophobicContact CD2-CD2 4.02Å; L87-W89 VanDerWaalsContact CD2-CE2 3.43Å; L87-W89 HydrophobicContact CD2-CG 4.28Å; L87-W89 HydrophobicContact CD2-CZ2 3.8Å; L87-W89 VanDerWaalsContact CD2-NE1 3.31Å; W89-M109 HydrophobicContact CB-CB 4.07Å; W89-M109 HydrophobicContact CB-CG 4.14Å; W89-M109 VanDerWaalsContact O-CB 3.25Å; W89-M109 WeakPolarHBondContact O-CB 3.26Å; W89-M109 WeakPolarHBondContact O-CG 3.43Å; W89-M109 PolarHBondContact O-N 3.4Å; W89-I234 HydrophobicContact CH2-CG2 4.46Å; W89-I234 HydrophobicContact CZ2-CG2 4.09Å; W89-I237 HydrophobicContact CH2-CB 4.12Å; W89-I237 HydrophobicContact CH2-CD1 4.39Å; W89-I237 HydrophobicContact CH2-CG2 3.54Å; W89-I237 HydrophobicContact CZ3-CD1 4.41Å; W89-I237 HydrophobicContact CZ3-CG2 3.86Å; W89-T238 HydrophobicContact CH2-CG2 4.34Å; W89-T238 HydrophobicContact CZ2-CG2 3.77Å |
| 90 | N | 95.1 | Very high | 88.4 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 17% | 0.166 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.5 | 162.7 | -57 | -40.4 | 0 | 0 | 0 | 108.3 | V39 D40 L41 L106 S107 | V39-N90 PolarHBondContact O-N 3.35Å; D40-N90 PolarHBondContact OD1-ND2 3.28Å; L41-N90 PolarHBondContact N-O 2.79Å; N90-L106 HydrophobicContact CB-CD1 4.34Å; N90-L106 HydrophobicContact CB-CD2 3.78Å; N90-L106 HydrophobicContact CB-CG 3.83Å; N90-S107 CarbonylContact C-O 3.54Å; N90-S107 VanDerWaalsContact CA-O 3.26Å; N90-S107 WeakPolarHBondContact CA-O 3.3Å |
| 91 | S | 96.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151.6 | 177.4 | -162.2 | 0 | 0 | 0 | 0 | 114 | L41 F43 S107 | L41-S91 WeakPolarHBondContact O-CA 3.39Å; L41-S91 WeakPolarHBondContact O-CB 2.97Å; L41-S91 PolarHBondContact O-OG 3.45Å; F43-S91 WeakPolarHBondContact CE2-OG 3.17Å; S91-S107 PolarHBondContact N-O 2.83Å; S91-S107 PolarHBondContact O-N 2.9Å; S91-S107 PolarHBondContact O-OG 3.06Å; S91-S107 VanDerWaalsContact O-OG 3.06Å |
| 92 | G | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 172.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.2 | L41 F43 R104 E105 | L41-G92 PolarHBondContact O-N 3.39Å; F43-G92 PolarHBondContact N-O 3.33Å; G92-R104 WeakPolarHBondContact CA-O 3.41Å; G92-E105 WeakPolarHBondContact CA-O 3.2Å |
| 93 | A | 97.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 V103 R104 L116 I120 | F43-A93 HydrophobicContact CB-CB 3.97Å; F43-A93 CarbonylContact O-C 3.57Å; F43-A93 WeakPolarHBondContact O-CA 3.48Å; A93-V103 HydrophobicContact CB-CB 4.11Å; A93-V103 WeakPolarHBondContact O-CA 3.37Å; A93-V103 VanDerWaalsContact O-CB 3.31Å; A93-V103 WeakPolarHBondContact O-CB 3.33Å; A93-V103 PolarHBondContact O-N 3.4Å; A93-R104 PolarHBondContact N-O 2.71Å; A93-R104 PolarHBondContact O-N 2.59Å; A93-L116 HydrophobicContact CB-CD1 4.09Å; A93-I120 HydrophobicContact CB-CG1 4.49Å |
| 94 | L | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.2 | 162.9 | 68.4 | 77 | 0 | 0 | 0 | 110 | F42 F43 V44 L45 Y96 V100 I101 L102 A135 R138 | F42-L94 HydrophobicContact CE1-CB 4.05Å; F42-L94 HydrophobicContact CE1-CD2 3.88Å; F42-L94 HydrophobicContact CE1-CG 3.85Å; F43-L94 PolarHBondContact O-N 3.05Å; V44-L94 HydrophobicContact CB-CD1 4.23Å; V44-L94 HydrophobicContact CG1-CD1 3.94Å; V44-L94 HydrophobicContact CG2-CD1 4.07Å; V44-L94 HydrophobicContact CG2-CD2 4.35Å; V44-L94 HydrophobicContact CG2-CG 4.08Å; L45-L94 WeakPolarHBondContact CB-O 3.2Å; L45-L94 WeakPolarHBondContact CG-O 3.47Å; L45-L94 PolarHBondContact N-O 3Å; L94-Y96 HydrophobicContact CD1-CD1 4.27Å; L94-V100 HydrophobicContact CD1-CG1 3.92Å; L94-V100 HydrophobicContact CD2-CG1 3.89Å; L94-V100 HydrophobicContact CG-CG1 4.38Å; L94-I101 CarbonylContact C-O 3.38Å; L94-I101 VanDerWaalsContact CA-O 3.3Å; L94-I101 WeakPolarHBondContact CA-O 3.41Å; L94-I101 WeakPolarHBondContact CB-O 3.42Å; L94-L102 HydrophobicContact CB-CD1 4.38Å; L94-A135 HydrophobicContact CD1-CB 4.09Å; L94-R138 HydrophobicContact CD2-CB 3.92Å; L94-R138 HydrophobicContact CD2-CG 3.85Å |
| 95 | H | 95.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.1 | 168.1 | 79.9 | 109.9 | 0 | 0 | 0 | 111 | L45 T47 I101 V103 I123 T124 | L45-H95 HydrophobicContact CB-CB 4.02Å; L45-H95 CarbonylContact O-C 3.58Å; L45-H95 WeakPolarHBondContact O-CA 3.25Å; L45-H95 WeakPolarHBondContact O-CB 3.42Å; T47-H95 HydrophobicContact CG2-CB 3.89Å; T47-H95 PolarHBondContact OG1-ND1 2.67Å; H95-I101 PolarHBondContact N-O 2.9Å; H95-I101 PolarHBondContact O-N 3.06Å; H95-V103 HydrophobicContact CB-CG2 4.4Å; H95-I123 HydrophobicContact CB-CD1 4.37Å; H95-I123 HydrophobicContact CB-CG2 4.15Å; H95-T124 PolarHBondContact CE1-O 3.35Å; H95-T124 VanDerWaalsContact CE1-O 3.25Å |
| 96 | Y | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161.1 | -171.4 | 70.9 | -82.1 | 0 | 0 | 0 | 115.2 | V44 L45 D46 T47 S48 L94 D99 T130 T132 A135 | V44-Y96 HydrophobicContact CG1-CD1 3.91Å; V44-Y96 HydrophobicContact CG1-CE1 3.58Å; L45-Y96 VanDerWaalsContact O-CD1 3.25Å; L45-Y96 WeakPolarHBondContact O-CD1 3.28Å; L45-Y96 PolarHBondContact O-N 3.2Å; D46-Y96 HydrophobicContact CB-CE1 3.84Å; D46-Y96 HydrophobicContact CB-CE2 4.39Å; D46-Y96 PolarHBondContact OD2-OH 3.23Å; T47-Y96 CarbonylContact C-O 3.53Å; T47-Y96 WeakPolarHBondContact CA-O 3.44Å; T47-Y96 PolarHBondContact N-O 3.1Å; T47-Y96 PolarHBondContact OG1-O 3.22Å; S48-Y96 PolarHBondContact N-O 3.49Å; L94-Y96 HydrophobicContact CD1-CD1 4.27Å; Y96-D99 CarbonylContact C-O 3.52Å; Y96-D99 WeakPolarHBondContact CA-O 3.24Å; Y96-D99 WeakPolarHBondContact CB-O 3.34Å; Y96-T130 HydrophobicContact CE2-CG2 4.13Å; Y96-T132 VanDerWaalsContact CE2-CA 3.49Å; Y96-T132 WeakPolarHBondContact CE2-OG1 3.37Å; Y96-T132 WeakPolarHBondContact OH-CG2 3.49Å; Y96-T132 PolarHBondContact OH-OG1 3.16Å; Y96-A135 HydrophobicContact CD1-CB 3.45Å; Y96-A135 VanDerWaalsContact CD1-CB 3.45Å; Y96-A135 HydrophobicContact CD2-CB 3.83Å; Y96-A135 HydrophobicContact CE1-CB 3.88Å; Y96-A135 HydrophobicContact CE2-CB 4.23Å; Y96-A135 HydrophobicContact CG-CB 3.42Å; Y96-A135 VanDerWaalsContact CG-CB 3.42Å |
| 97 | S | 90.1 | Very high | 93 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -143.2 | -114.5 | 164.1 | 56.1 | 0 | 0 | 0 | 0 | 107.9 | D99 I126 G127 G129 Y131 | S97-D99 PolarHBondContact N-O 3.46Å; S97-I126 VanDerWaalsContact OG-CB 3.28Å; S97-I126 WeakPolarHBondContact OG-CB 3.47Å; S97-I126 VanDerWaalsContact OG-CG2 3.23Å; S97-I126 WeakPolarHBondContact OG-CG2 3.38Å; S97-G127 WeakPolarHBondContact CB-O 3.44Å; S97-G127 PolarHBondContact OG-O 3.14Å; S97-G129 CarbonylContact C-O 3.42Å; S97-G129 WeakPolarHBondContact CA-O 3.39Å; S97-G129 WeakPolarHBondContact CB-O 3.48Å; S97-Y131 WeakPolarHBondContact O-CB 3.4Å; S97-Y131 PolarHBondContact O-N 3.38Å |
| 98 | D | 85.6 | Confident | 93.1 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -72.7 | -26.5 | 157.4 | 58.8 | -35.2 | 0 | 0 | 0 | 113 | K128 G129 Y131 | D98-K128 VanDerWaalsContact CG-CD 3.48Å; D98-K128 IonicContact OD1-NZ 3.89Å; D98-K128 WeakPolarHBondContact OD2-CD 3.24Å; D98-K128 WeakPolarHBondContact OD2-CE 3.31Å; D98-K128 IonicContact OD2-NZ 3.77Å; D98-K128 PolarHBondContact OD2-NZ 3.44Å; D98-G129 PolarHBondContact N-O 3.17Å; D98-Y131 HydrophobicContact CB-CE1 4.29Å; D98-Y131 HydrophobicContact CB-CE2 4.12Å; D98-Y131 WeakPolarHBondContact O-CD2 3.29Å; D98-Y131 WeakPolarHBondContact O-CE2 3.25Å |
| 99 | D | 85.1 | Confident | 93.3 | Very high | 92 Ų | 92 | 31.1 Ų | 31.1 | 49% | 0.492 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -104.4 | 152.9 | 171.7 | -73.7 | -50.4 | 0 | 0 | 0 | 110.9 | Y96 S97 | Y96-D99 CarbonylContact C-O 3.52Å; Y96-D99 WeakPolarHBondContact CA-O 3.24Å; Y96-D99 WeakPolarHBondContact CB-O 3.34Å; S97-D99 PolarHBondContact N-O 3.46Å |
| 100 | V | 91.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.1 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 109 | L94 C134 A135 R138 | L94-V100 HydrophobicContact CD1-CG1 3.92Å; L94-V100 HydrophobicContact CD2-CG1 3.89Å; L94-V100 HydrophobicContact CG-CG1 4.38Å; V100-C134 HydrophobicContact CG2-CB 3.95Å; V100-A135 HydrophobicContact CG2-CB 4.22Å; V100-R138 HydrophobicContact CG1-CB 3.92Å; V100-R138 HydrophobicContact CG1-CG 4.03Å |
| 101 | I | 92.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 40.2 Ų | 40.2 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.7 | -176.6 | -57 | -175.4 | 0 | 0 | 0 | 109.7 | L94 H95 V103 I126 | L94-I101 CarbonylContact C-O 3.38Å; L94-I101 VanDerWaalsContact CA-O 3.3Å; L94-I101 WeakPolarHBondContact CA-O 3.41Å; L94-I101 WeakPolarHBondContact CB-O 3.42Å; H95-I101 PolarHBondContact N-O 2.9Å; H95-I101 PolarHBondContact O-N 3.06Å; I101-V103 PolarHBondContact O-N 2.96Å; I101-I126 HydrophobicContact CD1-CD1 3.58Å; I101-I126 HydrophobicContact CD1-CG1 4.12Å; I101-I126 HydrophobicContact CG1-CD1 3.98Å |
| 102 | L | 94.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.5 | 172.5 | -174.8 | 64.1 | 0 | 0 | 0 | 109.6 | F42 L94 E105 E142 | F42-L102 HydrophobicContact CZ-CD1 3.71Å; L94-L102 HydrophobicContact CB-CD1 4.38Å; L102-E105 HydrophobicContact CD2-CG 3.8Å; L102-E142 HydrophobicContact CD1-CG 4.13Å |
| 103 | V | 95.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -47.2 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | A93 H95 I101 D119 I120 I123 | A93-V103 HydrophobicContact CB-CB 4.11Å; A93-V103 WeakPolarHBondContact O-CA 3.37Å; A93-V103 VanDerWaalsContact O-CB 3.31Å; A93-V103 WeakPolarHBondContact O-CB 3.33Å; A93-V103 PolarHBondContact O-N 3.4Å; H95-V103 HydrophobicContact CB-CG2 4.4Å; I101-V103 PolarHBondContact O-N 2.96Å; V103-D119 HydrophobicContact CG1-CB 3.67Å; V103-I120 HydrophobicContact CG1-CG1 4.4Å; V103-I123 HydrophobicContact CG1-CD1 4.48Å; V103-I123 HydrophobicContact CG1-CG1 4.31Å; V103-I123 HydrophobicContact CG2-CD1 3.84Å; V103-I123 HydrophobicContact CG2-CG1 3.72Å |
| 104 | R | 94.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 140.7 | 173.5 | -175 | 175.9 | -81.8 | -110.3 | -13.2 | 110.6 | G92 A93 D112 A115 L116 D119 | G92-R104 WeakPolarHBondContact CA-O 3.41Å; A93-R104 PolarHBondContact N-O 2.71Å; A93-R104 PolarHBondContact O-N 2.59Å; R104-D112 IonicContact NH1-OD1 2.86Å; R104-D112 PolarHBondContact NH1-OD1 3.22Å; R104-A115 VanDerWaalsContact CZ-CB 3.49Å; R104-L116 HydrophobicContact CB-CD1 3.9Å; R104-L116 HydrophobicContact CG-CD1 4.49Å; R104-D119 IonicContact CZ-OD2 3.6Å; R104-D119 IonicContact NE-OD2 3.83Å; R104-D119 PolarHBondContact NE-OD2 2.8Å; R104-D119 IonicContact NH2-OD1 3.18Å; R104-D119 IonicContact NH2-OD2 2.72Å; R104-D119 PolarHBondContact NH2-OD2 3.12Å |
| 105 | E | 92.4 | Very high | 92.4 | Very high | 132 Ų | 132 | 51.9 Ų | 51.9 | 62% | 0.617 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 169.5 | 169.2 | -67.3 | 175.9 | -174.2 | 0 | 0 | 112.1 | G92 L102 S107 | G92-E105 WeakPolarHBondContact CA-O 3.2Å; L102-E105 HydrophobicContact CD2-CG 3.8Å; E105-S107 PolarHBondContact O-N 3.27Å |
| 106 | L | 93.2 | Very high | 92.5 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.1 | 178.8 | -161.1 | 83.2 | 0 | 0 | 0 | 111.1 | D40 F42 N90 L143 | D40-L106 HydrophobicContact CB-CD1 4.42Å; D40-L106 HydrophobicContact CB-CD2 3.79Å; F42-L106 HydrophobicContact CD2-CD1 4Å; N90-L106 HydrophobicContact CB-CD1 4.34Å; N90-L106 HydrophobicContact CB-CD2 3.78Å; N90-L106 HydrophobicContact CB-CG 3.83Å; L106-L143 HydrophobicContact CD1-CD2 4.13Å |
| 107 | S | 92 | Very high | 92.7 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.9 | -172.8 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | N90 S91 E105 M109 | N90-S107 CarbonylContact C-O 3.54Å; N90-S107 VanDerWaalsContact CA-O 3.26Å; N90-S107 WeakPolarHBondContact CA-O 3.3Å; S91-S107 PolarHBondContact N-O 2.83Å; S91-S107 PolarHBondContact O-N 2.9Å; S91-S107 PolarHBondContact O-OG 3.06Å; S91-S107 VanDerWaalsContact O-OG 3.06Å; E105-S107 PolarHBondContact O-N 3.27Å; S107-M109 WeakPolarHBondContact O-CE 3.29Å; S107-M109 PolarHBondContact O-N 2.65Å |
| 108 | D | 91.9 | Very high | 93 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.6 | -175.6 | -178 | -19.7 | 0 | 0 | 0 | 111.1 | R110 T111 D112 | D108-R110 PolarHBondContact O-N 3.45Å; D108-R110 VanDerWaalsContact O-N 3.12Å; D108-R110 WeakPolarHBondContact OD1-CB 3.18Å; D108-R110 WeakPolarHBondContact OD1-CG 3.47Å; D108-R110 PolarHBondContact OD1-N 2.84Å; D108-R110 IonicContact OD1-NE 3.09Å; D108-R110 PolarHBondContact OD1-NE 2.97Å; D108-R110 IonicContact OD2-CZ 2.68Å; D108-R110 VanDerWaalsContact OD2-CZ 3.23Å; D108-R110 IonicContact OD2-NE 2.68Å; D108-R110 PolarHBondContact OD2-NE 2.9Å; D108-R110 IonicContact OD2-NH2 3.09Å; D108-R110 PolarHBondContact OD2-NH2 3.19Å; D108-T111 PolarHBondContact O-N 3.09Å; D108-T111 PolarHBondContact O-OG1 3.08Å; D108-D112 PolarHBondContact O-N 3.31Å |
| 109 | M | 93.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 1.3 | -177.5 | -65.4 | -65.7 | 102 | 0 | 0 | 114.4 | V73 L76 W89 S107 R113 L116 | V73-M109 HydrophobicContact CG1-SD 4.15Å; L76-M109 HydrophobicContact CD1-CG 4.26Å; W89-M109 HydrophobicContact CB-CB 4.07Å; W89-M109 HydrophobicContact CB-CG 4.14Å; W89-M109 VanDerWaalsContact O-CB 3.25Å; W89-M109 WeakPolarHBondContact O-CB 3.26Å; W89-M109 WeakPolarHBondContact O-CG 3.43Å; W89-M109 PolarHBondContact O-N 3.4Å; S107-M109 WeakPolarHBondContact O-CE 3.29Å; S107-M109 PolarHBondContact O-N 2.65Å; M109-R113 VanDerWaalsContact O-CZ 3.26Å; M109-R113 PolarHBondContact O-NE 2.81Å; M109-R113 PolarHBondContact O-NH2 2.97Å; M109-R113 HydrophobicContact SD-CB 4.31Å; M109-R113 HydrophobicContact SD-CG 4.44Å; M109-L116 HydrophobicContact CE-CB 4.33Å; M109-L116 HydrophobicContact CE-CD2 3.69Å; M109-L116 HydrophobicContact SD-CD2 3.79Å |
| 110 | R | 89.9 | Confident | 94 | Very high | 129 Ų | 129 | 54 Ų | 54 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -37.1 | 162.3 | -66.8 | -178.5 | -74.5 | -155.1 | 0.9 | 112.5 | D36 E78 M88 D108 | D36-R110 IonicContact OD2-NH1 3.59Å; E78-R110 WeakPolarHBondContact OE1-CD 3.41Å; E78-R110 WeakPolarHBondContact OE1-CG 3.23Å; M88-R110 VanDerWaalsContact CE-CD 3.49Å; M88-R110 HydrophobicContact CE-CG 3.97Å; D108-R110 PolarHBondContact O-N 3.45Å; D108-R110 VanDerWaalsContact O-N 3.12Å; D108-R110 WeakPolarHBondContact OD1-CB 3.18Å; D108-R110 WeakPolarHBondContact OD1-CG 3.47Å; D108-R110 PolarHBondContact OD1-N 2.84Å; D108-R110 IonicContact OD1-NE 3.09Å; D108-R110 PolarHBondContact OD1-NE 2.97Å; D108-R110 IonicContact OD2-CZ 2.68Å; D108-R110 VanDerWaalsContact OD2-CZ 3.23Å; D108-R110 IonicContact OD2-NE 2.68Å; D108-R110 PolarHBondContact OD2-NE 2.9Å; D108-R110 IonicContact OD2-NH2 3.09Å; D108-R110 PolarHBondContact OD2-NH2 3.19Å |
| 111 | T | 91.3 | Very high | 94.1 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 62% | 0.62 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -47.3 | -170.6 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | D108 | D108-T111 PolarHBondContact O-N 3.09Å; D108-T111 PolarHBondContact O-OG1 3.08Å |
| 112 | D | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -99.4 | 1.4 | -165.6 | -71.2 | -76 | 0 | 0 | 0 | 114.3 | R104 D108 Q114 A115 L116 | R104-D112 IonicContact NH1-OD1 2.86Å; R104-D112 PolarHBondContact NH1-OD1 3.22Å; D108-D112 PolarHBondContact O-N 3.31Å; D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 2.92Å; D112-A115 CarbonylContact O-C 3.47Å; D112-A115 WeakPolarHBondContact O-CA 3.39Å; D112-A115 WeakPolarHBondContact O-CB 3.11Å; D112-A115 PolarHBondContact O-N 2.85Å; D112-L116 PolarHBondContact O-N 2.83Å |
| 113 | R | 95.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 21% | 0.211 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.1 | -48.4 | -177.1 | -171.3 | -175.6 | -54.9 | -107.6 | -3 | 113.9 | V73 L76 M109 A115 K117 | V73-R113 HydrophobicContact CG1-CG 3.61Å; V73-R113 PolarHBondContact O-NH1 2.79Å; L76-R113 VanDerWaalsContact O-CZ 3.24Å; L76-R113 PolarHBondContact O-NH1 2.78Å; L76-R113 PolarHBondContact O-NH2 2.72Å; M109-R113 VanDerWaalsContact O-CZ 3.26Å; M109-R113 PolarHBondContact O-NE 2.81Å; M109-R113 PolarHBondContact O-NH2 2.97Å; M109-R113 HydrophobicContact SD-CB 4.31Å; M109-R113 HydrophobicContact SD-CG 4.44Å; R113-A115 VanDerWaalsContact C-N 3.32Å; R113-K117 HydrophobicContact CG-CD 4.47Å; R113-K117 VanDerWaalsContact O-CG 3.29Å; R113-K117 WeakPolarHBondContact O-CG 3.43Å; R113-K117 PolarHBondContact O-N 2.04Å; R113-K117 VanDerWaalsContact O-N 3.11Å |
| 114 | Q | 95.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 55.3 Ų | 55.3 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.1 | -29.9 | -179.7 | -172.9 | 56.6 | 50.5 | 0 | 0 | 111.8 | D112 K117 N118 | D112-Q114 VanDerWaalsContact C-N 3.34Å; D112-Q114 PolarHBondContact O-N 2.92Å; Q114-K117 PolarHBondContact O-N 2.66Å; Q114-N118 PolarHBondContact NE2-OD1 2.79Å; Q114-N118 PolarHBondContact O-N 2.97Å; Q114-N118 PolarHBondContact O-ND2 3.37Å; Q114-N118 PolarHBondContact O-OD1 2.94Å; Q114-N118 VanDerWaalsContact O-OD1 3.14Å |
| 115 | A | 94.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R104 D112 R113 K117 N118 D119 | R104-A115 VanDerWaalsContact CZ-CB 3.49Å; D112-A115 CarbonylContact O-C 3.47Å; D112-A115 WeakPolarHBondContact O-CA 3.39Å; D112-A115 WeakPolarHBondContact O-CB 3.11Å; D112-A115 PolarHBondContact O-N 2.85Å; R113-A115 VanDerWaalsContact C-N 3.32Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.23Å; A115-N118 WeakPolarHBondContact O-CB 3.37Å; A115-N118 PolarHBondContact O-N 3.45Å; A115-N118 VanDerWaalsContact O-N 3.14Å; A115-D119 VanDerWaalsContact O-CG 3.29Å; A115-D119 PolarHBondContact O-N 2.85Å |
| 116 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.1 | -43.2 | 170.4 | 178.1 | 61.4 | 0 | 0 | 0 | 111.8 | V73 A93 R104 M109 D112 N118 D119 I120 | V73-L116 HydrophobicContact CG1-CD2 4.4Å; V73-L116 HydrophobicContact CG2-CD2 3.98Å; A93-L116 HydrophobicContact CB-CD1 4.09Å; R104-L116 HydrophobicContact CB-CD1 3.9Å; R104-L116 HydrophobicContact CG-CD1 4.49Å; M109-L116 HydrophobicContact CE-CB 4.33Å; M109-L116 HydrophobicContact CE-CD2 3.69Å; M109-L116 HydrophobicContact SD-CD2 3.79Å; D112-L116 PolarHBondContact O-N 2.83Å; L116-N118 PolarHBondContact O-N 3.44Å; L116-D119 PolarHBondContact O-N 2.88Å; L116-I120 HydrophobicContact CD1-CD1 4.08Å; L116-I120 HydrophobicContact CD1-CG1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.91Å; L116-I120 WeakPolarHBondContact O-CD1 3.2Å; L116-I120 VanDerWaalsContact O-CG1 3.25Å; L116-I120 WeakPolarHBondContact O-CG1 3.26Å; L116-I120 PolarHBondContact O-N 3.4Å |
| 117 | K | 97.1 | Very high | 90.4 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 176.5 | -72.3 | 173.3 | 66.9 | 178.6 | 0 | 113.1 | K70 V73 D74 R113 Q114 A115 D121 | K70-K117 HydrophobicContact CB-CG 4.43Å; K70-K117 HydrophobicContact CD-CB 4.33Å; K70-K117 HydrophobicContact CG-CB 4.25Å; K70-K117 HydrophobicContact CG-CG 4.14Å; V73-K117 HydrophobicContact CB-CG 4.42Å; V73-K117 HydrophobicContact CG1-CD 4.17Å; V73-K117 HydrophobicContact CG1-CG 3.89Å; D74-K117 WeakPolarHBondContact OD1-CE 3.12Å; D74-K117 IonicContact OD1-NZ 3.91Å; D74-K117 PolarHBondContact OD1-NZ 3.03Å; D74-K117 IonicContact OD2-NZ 3.63Å; D74-K117 PolarHBondContact OD2-NZ 3.27Å; R113-K117 HydrophobicContact CG-CD 4.47Å; R113-K117 VanDerWaalsContact O-CG 3.29Å; R113-K117 WeakPolarHBondContact O-CG 3.43Å; R113-K117 PolarHBondContact O-N 2.04Å; R113-K117 VanDerWaalsContact O-N 3.11Å; Q114-K117 PolarHBondContact O-N 2.66Å; A115-K117 VanDerWaalsContact C-N 3.31Å; A115-K117 PolarHBondContact O-N 3.23Å; K117-D121 PolarHBondContact O-N 3.18Å; K117-D121 VanDerWaalsContact O-N 3.1Å |
| 118 | N | 96 | Very high | 89.6 | Confident | 88 Ų | 88 | 55 Ų | 55 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.6 | -66.8 | -9.6 | 0 | 0 | 0 | 111.2 | Q114 A115 L116 D121 G122 | Q114-N118 PolarHBondContact NE2-OD1 2.79Å; Q114-N118 PolarHBondContact O-N 2.97Å; Q114-N118 PolarHBondContact O-ND2 3.37Å; Q114-N118 PolarHBondContact O-OD1 2.94Å; Q114-N118 VanDerWaalsContact O-OD1 3.14Å; A115-N118 WeakPolarHBondContact O-CB 3.37Å; A115-N118 PolarHBondContact O-N 3.45Å; A115-N118 VanDerWaalsContact O-N 3.14Å; L116-N118 PolarHBondContact O-N 3.44Å; N118-D121 WeakPolarHBondContact O-CB 3.41Å; N118-D121 PolarHBondContact O-N 2.91Å; N118-G122 PolarHBondContact O-N 2.98Å; N118-G122 VanDerWaalsContact O-N 3.16Å |
| 119 | D | 96.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 179.8 | -60.2 | -11.6 | 0 | 0 | 0 | 111.1 | V103 R104 A115 L116 D121 G122 I123 | V103-D119 HydrophobicContact CG1-CB 3.67Å; R104-D119 IonicContact CZ-OD2 3.6Å; R104-D119 IonicContact NE-OD2 3.83Å; R104-D119 PolarHBondContact NE-OD2 2.8Å; R104-D119 IonicContact NH2-OD1 3.18Å; R104-D119 IonicContact NH2-OD2 2.72Å; R104-D119 PolarHBondContact NH2-OD2 3.12Å; A115-D119 VanDerWaalsContact O-CG 3.29Å; A115-D119 PolarHBondContact O-N 2.85Å; L116-D119 PolarHBondContact O-N 2.88Å; D119-D121 VanDerWaalsContact C-N 3.31Å; D119-D121 PolarHBondContact O-N 2.82Å; D119-G122 WeakPolarHBondContact O-CA 3.04Å; D119-G122 PolarHBondContact O-N 3.32Å; D119-I123 PolarHBondContact O-N 3.02Å |
| 120 | I | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 169.7 | -70.6 | 162.1 | 0 | 0 | 0 | 111.4 | K66 T69 K70 V73 A93 V103 L116 G122 I123 | K66-I120 HydrophobicContact CB-CG2 4.18Å; K66-I120 WeakPolarHBondContact CE-O 3.49Å; K66-I120 HydrophobicContact CG-CG2 4.17Å; K66-I120 WeakPolarHBondContact CG-O 3.31Å; T69-I120 HydrophobicContact CG2-CD1 3.72Å; K70-I120 HydrophobicContact CD-CG2 4.43Å; K70-I120 HydrophobicContact CG-CB 4.38Å; K70-I120 HydrophobicContact CG-CG2 3.91Å; V73-I120 HydrophobicContact CG2-CD1 4.5Å; A93-I120 HydrophobicContact CB-CG1 4.49Å; V103-I120 HydrophobicContact CG1-CG1 4.4Å; L116-I120 HydrophobicContact CD1-CD1 4.08Å; L116-I120 HydrophobicContact CD1-CG1 4.38Å; L116-I120 HydrophobicContact CG-CD1 3.91Å; L116-I120 WeakPolarHBondContact O-CD1 3.2Å; L116-I120 VanDerWaalsContact O-CG1 3.25Å; L116-I120 WeakPolarHBondContact O-CG1 3.26Å; L116-I120 PolarHBondContact O-N 3.4Å; I120-G122 PolarHBondContact O-N 2.92Å; I120-I123 HydrophobicContact CB-CD1 4.34Å; I120-I123 HydrophobicContact CG1-CD1 4.46Å; I120-I123 HydrophobicContact CG2-CD1 4.16Å; I120-I123 WeakPolarHBondContact O-CB 3.22Å; I120-I123 WeakPolarHBondContact O-CG1 3.43Å; I120-I123 PolarHBondContact O-N 3.18Å |
| 121 | D | 94.3 | Very high | 88.5 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -29.2 | 174.9 | -88.6 | -37.3 | 0 | 0 | 0 | 112.7 | K66 K70 K117 N118 D119 I123 | K66-D121 WeakPolarHBondContact CE-O 3.43Å; K66-D121 PolarHBondContact NZ-O 3.09Å; K70-D121 WeakPolarHBondContact CD-OD2 3.41Å; K70-D121 WeakPolarHBondContact CE-OD1 3.45Å; K70-D121 IonicContact NZ-OD1 2.85Å; K70-D121 PolarHBondContact NZ-OD1 3.08Å; K70-D121 IonicContact NZ-OD2 3.31Å; K70-D121 PolarHBondContact NZ-OD2 3.42Å; K117-D121 PolarHBondContact O-N 3.18Å; K117-D121 VanDerWaalsContact O-N 3.1Å; N118-D121 WeakPolarHBondContact O-CB 3.41Å; N118-D121 PolarHBondContact O-N 2.91Å; D119-D121 VanDerWaalsContact C-N 3.31Å; D119-D121 PolarHBondContact O-N 2.82Å; D121-I123 VanDerWaalsContact C-N 3.31Å; D121-I123 PolarHBondContact O-N 3.48Å |
| 122 | G | 91.8 | Very high | 88.4 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 58% | 0.577 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | N118 D119 I120 T124 | N118-G122 PolarHBondContact O-N 2.98Å; N118-G122 VanDerWaalsContact O-N 3.16Å; D119-G122 WeakPolarHBondContact O-CA 3.04Å; D119-G122 PolarHBondContact O-N 3.32Å; I120-G122 PolarHBondContact O-N 2.92Å; G122-T124 PolarHBondContact O-N 3.35Å |
| 123 | I | 91.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | -56.6 | 129.3 | 179.3 | -67.7 | 169.1 | 0 | 0 | 0 | 110.6 | L45 T47 I62 K66 H95 V103 D119 I120 D121 | L45-I123 HydrophobicContact CD1-CD1 3.67Å; T47-I123 HydrophobicContact CG2-CG2 3.84Å; I62-I123 HydrophobicContact CG2-CG2 4.47Å; K66-I123 WeakPolarHBondContact CE-O 3.25Å; K66-I123 PolarHBondContact NZ-O 3.31Å; H95-I123 HydrophobicContact CB-CD1 4.37Å; H95-I123 HydrophobicContact CB-CG2 4.15Å; V103-I123 HydrophobicContact CG1-CD1 4.48Å; V103-I123 HydrophobicContact CG1-CG1 4.31Å; V103-I123 HydrophobicContact CG2-CD1 3.84Å; V103-I123 HydrophobicContact CG2-CG1 3.72Å; D119-I123 PolarHBondContact O-N 3.02Å; I120-I123 HydrophobicContact CB-CD1 4.34Å; I120-I123 HydrophobicContact CG1-CD1 4.46Å; I120-I123 HydrophobicContact CG2-CD1 4.16Å; I120-I123 WeakPolarHBondContact O-CB 3.22Å; I120-I123 WeakPolarHBondContact O-CG1 3.43Å; I120-I123 PolarHBondContact O-N 3.18Å; D121-I123 VanDerWaalsContact C-N 3.31Å; D121-I123 PolarHBondContact O-N 3.48Å | ||
| 124 | T | 83.6 | Confident | 88.1 | Confident | 95 Ų | 95 | 43.1 Ų | 43.1 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | trans | -113.4 | 153.9 | 174.3 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | H95 G122 I126 | H95-T124 PolarHBondContact CE1-O 3.35Å; H95-T124 VanDerWaalsContact CE1-O 3.25Å; G122-T124 PolarHBondContact O-N 3.35Å; T124-I126 PolarHBondContact O-N 2.87Å | ||
| 125 | Y | 81.8 | Confident | 88 | Confident | 73 Ų | 73 | 38 Ų | 38 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | trans | -64.2 | 124 | 168.6 | 170.5 | -112.3 | 0 | 0 | 0 | 110 | T47 A52 I62 G127 | T47-Y125 VanDerWaalsContact O-CD2 3.3Å; T47-Y125 WeakPolarHBondContact O-CD2 3.46Å; A52-Y125 HydrophobicContact CB-CD2 3.34Å; A52-Y125 HydrophobicContact CB-CE2 3.17Å; A52-Y125 HydrophobicContact CB-CG 4.23Å; I62-Y125 HydrophobicContact CD1-CD2 4.5Å; Y125-G127 VanDerWaalsContact OH-CA 3.28Å; Y125-G127 WeakPolarHBondContact OH-CA 3.36Å | ||
| 126 | I | 72.3 | Confident | 88 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | trans | -91.4 | -44.1 | 177.1 | -49.2 | 168 | 0 | 0 | 0 | 110.2 | S97 I101 T124 | S97-I126 VanDerWaalsContact OG-CB 3.28Å; S97-I126 WeakPolarHBondContact OG-CB 3.47Å; S97-I126 VanDerWaalsContact OG-CG2 3.23Å; S97-I126 WeakPolarHBondContact OG-CG2 3.38Å; I101-I126 HydrophobicContact CD1-CD1 3.58Å; I101-I126 HydrophobicContact CD1-CG1 4.12Å; I101-I126 HydrophobicContact CG1-CD1 3.98Å; T124-I126 PolarHBondContact O-N 2.87Å | ||
| 127 | G | 65.1 | Low | 87.9 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | 85.1 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S97 Y125 | S97-G127 WeakPolarHBondContact CB-O 3.44Å; S97-G127 PolarHBondContact OG-O 3.14Å; Y125-G127 VanDerWaalsContact OH-CA 3.28Å; Y125-G127 WeakPolarHBondContact OH-CA 3.36Å | ||
| 128 | K | 74.5 | Confident | 87.7 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 50% | 0.496 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 68.5 | -153 | -171.3 | -38 | 143.5 | -179.8 | 167.7 | 0 | 113.4 | E49 D98 | E49-K128 WeakPolarHBondContact CB-O 3.49Å; E49-K128 PolarHBondContact N-O 2.71Å; E49-K128 WeakPolarHBondContact OE2-CA 3.33Å; D98-K128 VanDerWaalsContact CG-CD 3.48Å; D98-K128 IonicContact OD1-NZ 3.89Å; D98-K128 WeakPolarHBondContact OD2-CD 3.24Å; D98-K128 WeakPolarHBondContact OD2-CE 3.31Å; D98-K128 IonicContact OD2-NZ 3.77Å; D98-K128 PolarHBondContact OD2-NZ 3.44Å |
| 129 | G | 75.8 | Confident | 87.7 | Confident | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | trans | -65.5 | -174.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | S48 S97 D98 | S48-G129 WeakPolarHBondContact CB-O 3.36Å; S97-G129 CarbonylContact C-O 3.42Å; S97-G129 WeakPolarHBondContact CA-O 3.39Å; S97-G129 WeakPolarHBondContact CB-O 3.48Å; D98-G129 PolarHBondContact N-O 3.17Å | ||
| 130 | T | 85.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -130.4 | 79.2 | -162.8 | -45 | 0 | 0 | 0 | 0 | 111.2 | D46 S48 S50 Y96 T132 | D46-T130 WeakPolarHBondContact OD2-CG2 3.48Å; S48-T130 VanDerWaalsContact CB-OG1 3.31Å; S48-T130 WeakPolarHBondContact CB-OG1 3.3Å; S48-T130 PolarHBondContact OG-OG1 3.26Å; S48-T130 VanDerWaalsContact OG-OG1 3.09Å; S50-T130 PolarHBondContact OG-OG1 3.34Å; Y96-T130 HydrophobicContact CE2-CG2 4.13Å; T130-T132 PolarHBondContact O-N 3.35Å | ||
| 131 | Y | 89.7 | Confident | 87.3 | Confident | 78 Ų | 78 | 38.4 Ų | 38.4 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | trans | -84.6 | 58.5 | -176 | -66 | 7.8 | 0 | 0 | 0 | 111.8 | S97 D98 D133 C134 A135 I165 P171 | S97-Y131 WeakPolarHBondContact O-CB 3.4Å; S97-Y131 PolarHBondContact O-N 3.38Å; D98-Y131 HydrophobicContact CB-CE1 4.29Å; D98-Y131 HydrophobicContact CB-CE2 4.12Å; D98-Y131 WeakPolarHBondContact O-CD2 3.29Å; D98-Y131 WeakPolarHBondContact O-CE2 3.25Å; Y131-D133 PolarHBondContact O-N 3.26Å; Y131-C134 PolarHBondContact O-N 2.83Å; Y131-A135 PolarHBondContact O-N 3.11Å; Y131-I165 HydrophobicContact CD1-CD1 3.56Å; Y131-I165 HydrophobicContact CE1-CD1 3.77Å; Y131-P171 HydrophobicContact CD1-CG 3.84Å; Y131-P171 HydrophobicContact CD2-CG 3.5Å; Y131-P171 VanDerWaalsContact CD2-CG 3.5Å; Y131-P171 HydrophobicContact CE1-CG 3.92Å; Y131-P171 HydrophobicContact CE2-CB 4.42Å; Y131-P171 HydrophobicContact CE2-CG 3.61Å; Y131-P171 HydrophobicContact CG-CG 3.64Å | ||
| 132 | T | 90.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -32.6 | -178 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | Y96 T130 A135 I136 V158 V175 I206 | Y96-T132 VanDerWaalsContact CE2-CA 3.49Å; Y96-T132 WeakPolarHBondContact CE2-OG1 3.37Å; Y96-T132 WeakPolarHBondContact OH-CG2 3.49Å; Y96-T132 PolarHBondContact OH-OG1 3.16Å; T130-T132 PolarHBondContact O-N 3.35Å; T132-A135 PolarHBondContact O-N 3.12Å; T132-I136 HydrophobicContact CG2-CD1 3.86Å; T132-I136 HydrophobicContact CG2-CG1 4.45Å; T132-I136 WeakPolarHBondContact O-CD1 3.36Å; T132-I136 VanDerWaalsContact O-CG1 3.25Å; T132-I136 WeakPolarHBondContact O-CG1 3.33Å; T132-I136 PolarHBondContact O-N 3.17Å; T132-V158 HydrophobicContact CG2-CG1 4.42Å; T132-V175 HydrophobicContact CG2-CG2 3.98Å; T132-I206 HydrophobicContact CG2-CD1 3.84Å; T132-I206 HydrophobicContact CG2-CG1 4.22Å |
| 133 | D | 91 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -48.2 | 177.2 | 63.3 | -29.4 | 0 | 0 | 0 | 112.3 | Y131 A135 I136 K137 E170 C172 G173 G174 V175 A178 | Y131-D133 PolarHBondContact O-N 3.26Å; D133-A135 VanDerWaalsContact C-N 3.29Å; D133-A135 PolarHBondContact O-N 2.88Å; D133-I136 PolarHBondContact O-N 3.3Å; D133-K137 WeakPolarHBondContact O-CG 3.26Å; D133-K137 PolarHBondContact O-N 2.83Å; D133-E170 WeakPolarHBondContact OD2-CB 3.31Å; D133-C172 HydrophobicContact CB-CB 4.43Å; D133-C172 VanDerWaalsContact OD2-C 3.31Å; D133-C172 WeakPolarHBondContact OD2-CA 3.11Å; D133-C172 WeakPolarHBondContact OD2-CB 3.29Å; D133-C172 PolarHBondContact OD2-N 2.83Å; D133-G173 PolarHBondContact OD2-N 3.4Å; D133-G174 WeakPolarHBondContact OD2-CA 3.27Å; D133-G174 PolarHBondContact OD2-N 2.87Å; D133-V175 HydrophobicContact CB-CG2 4.03Å; D133-A178 HydrophobicContact CB-CB 4.3Å |
| 134 | C | 91.1 | Very high | 87 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 12% | 0.122 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | V100 Y131 K137 R138 C172 | V100-C134 HydrophobicContact CG2-CB 3.95Å; Y131-C134 PolarHBondContact O-N 2.83Å; C134-K137 PolarHBondContact O-N 3.47Å; C134-R138 WeakPolarHBondContact O-CB 3.4Å; C134-R138 PolarHBondContact O-N 3.19Å; C134-C172 WeakPolarHBondContact CA-SG 3.18Å; C134-C172 HydrophobicContact CB-CB 3.93Å; C134-C172 WeakPolarHBondContact CB-SG 3.47Å; C134-C172 WeakPolarHBondContact SG-CB 3.49Å; C134-C172 CovalentContact SG-SG 2.03Å; C134-C172 PolarHBondContact SG-SG 2.89Å |
| 135 | A | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 L94 Y96 V100 Y131 T132 D133 R138 G139 | V44-A135 HydrophobicContact CG1-CB 3.76Å; L94-A135 HydrophobicContact CD1-CB 4.09Å; Y96-A135 HydrophobicContact CD1-CB 3.45Å; Y96-A135 VanDerWaalsContact CD1-CB 3.45Å; Y96-A135 HydrophobicContact CD2-CB 3.83Å; Y96-A135 HydrophobicContact CE1-CB 3.88Å; Y96-A135 HydrophobicContact CE2-CB 4.23Å; Y96-A135 HydrophobicContact CG-CB 3.42Å; Y96-A135 VanDerWaalsContact CG-CB 3.42Å; V100-A135 HydrophobicContact CG2-CB 4.22Å; Y131-A135 PolarHBondContact O-N 3.11Å; T132-A135 PolarHBondContact O-N 3.12Å; D133-A135 VanDerWaalsContact C-N 3.29Å; D133-A135 PolarHBondContact O-N 2.88Å; A135-R138 PolarHBondContact O-N 3.36Å; A135-G139 PolarHBondContact O-N 2.82Å |
| 136 | I | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.6 | -68.4 | 164.5 | 0 | 0 | 0 | 110.8 | T132 D133 R138 G139 L140 V158 A178 I206 | T132-I136 HydrophobicContact CG2-CD1 3.86Å; T132-I136 HydrophobicContact CG2-CG1 4.45Å; T132-I136 WeakPolarHBondContact O-CD1 3.36Å; T132-I136 VanDerWaalsContact O-CG1 3.25Å; T132-I136 WeakPolarHBondContact O-CG1 3.33Å; T132-I136 PolarHBondContact O-N 3.17Å; D133-I136 PolarHBondContact O-N 3.3Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 2.87Å; I136-G139 PolarHBondContact O-N 3.34Å; I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 PolarHBondContact O-N 3Å; I136-V158 HydrophobicContact CD1-CG2 4.28Å; I136-V158 HydrophobicContact CG1-CG2 3.97Å; I136-A178 HydrophobicContact CB-CB 3.99Å; I136-A178 HydrophobicContact CG2-CB 3.86Å; I136-I206 HydrophobicContact CD1-CG2 3.99Å |
| 137 | K | 93.2 | Very high | 86.9 | Confident | 44 Ų | 44 | 35.9 Ų | 35.9 | 19% | 0.191 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 178.1 | -69.7 | -168.1 | -178.1 | -159.3 | 0 | 112.5 | D133 C134 A141 C172 E177 A178 E181 | D133-K137 WeakPolarHBondContact O-CG 3.26Å; D133-K137 PolarHBondContact O-N 2.83Å; C134-K137 PolarHBondContact O-N 3.47Å; K137-A141 PolarHBondContact O-N 3.11Å; K137-A141 VanDerWaalsContact O-N 3.07Å; K137-C172 HydrophobicContact CD-CB 4.44Å; K137-C172 WeakPolarHBondContact CE-O 3.4Å; K137-C172 PolarHBondContact NZ-O 2.85Å; K137-E177 IonicContact NZ-OE1 2.64Å; K137-E177 PolarHBondContact NZ-OE1 3.05Å; K137-A178 HydrophobicContact CD-CB 4.47Å; K137-A178 HydrophobicContact CG-CB 3.78Å; K137-E181 WeakPolarHBondContact CD-OE2 3.47Å; K137-E181 WeakPolarHBondContact CE-OE2 3.47Å; K137-E181 IonicContact NZ-OE2 2.6Å; K137-E181 PolarHBondContact NZ-OE2 2.9Å |
| 138 | R | 94.1 | Very high | 87.8 | Confident | 122 Ų | 122 | 36.6 Ų | 36.6 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67 | -46.8 | 173.4 | -176.2 | 63.6 | -164.4 | -150.6 | -2.2 | 111.9 | L94 V100 C134 A135 I136 L140 A141 E142 | L94-R138 HydrophobicContact CD2-CB 3.92Å; L94-R138 HydrophobicContact CD2-CG 3.85Å; V100-R138 HydrophobicContact CG1-CB 3.92Å; V100-R138 HydrophobicContact CG1-CG 4.03Å; C134-R138 WeakPolarHBondContact O-CB 3.4Å; C134-R138 PolarHBondContact O-N 3.19Å; A135-R138 PolarHBondContact O-N 3.36Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 2.87Å; R138-L140 VanDerWaalsContact C-N 3.26Å; R138-L140 PolarHBondContact O-N 3.21Å; R138-A141 WeakPolarHBondContact O-CB 3.16Å; R138-A141 PolarHBondContact O-N 2.83Å; R138-A141 VanDerWaalsContact O-N 3.09Å; R138-E142 IonicContact CZ-OE1 3.3Å; R138-E142 IonicContact NE-OE1 2.7Å; R138-E142 PolarHBondContact NE-OE1 2.94Å; R138-E142 IonicContact NH2-OE1 3.16Å; R138-E142 PolarHBondContact NH2-OE1 3.34Å; R138-E142 PolarHBondContact O-N 3.2Å; R138-E142 VanDerWaalsContact O-N 3.1Å |
| 139 | G | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.1 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A135 I136 E142 L143 | A135-G139 PolarHBondContact O-N 2.82Å; I136-G139 PolarHBondContact O-N 3.34Å; G139-E142 PolarHBondContact O-N 3.01Å; G139-L143 PolarHBondContact O-N 2.85Å |
| 140 | L | 93.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 171.5 | 178.7 | 59.8 | 0 | 0 | 0 | 111.7 | I136 R138 E142 L143 L144 I156 E181 A182 H185 V187 | I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 PolarHBondContact O-N 3Å; R138-L140 VanDerWaalsContact C-N 3.26Å; R138-L140 PolarHBondContact O-N 3.21Å; L140-E142 PolarHBondContact O-N 3.44Å; L140-L143 PolarHBondContact O-N 2.8Å; L140-L144 HydrophobicContact CD1-CD1 3.94Å; L140-L144 HydrophobicContact CD1-CG 4.06Å; L140-L144 HydrophobicContact CG-CD1 3.91Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CG 3.2Å; L140-L144 PolarHBondContact O-N 2.76Å; L140-I156 HydrophobicContact CB-CD1 4.38Å; L140-E181 HydrophobicContact CD2-CB 4.21Å; L140-E181 HydrophobicContact CD2-CG 3.83Å; L140-A182 HydrophobicContact CD1-CB 4.32Å; L140-A182 HydrophobicContact CD2-CB 4.29Å; L140-H185 HydrophobicContact CD1-CB 4.14Å; L140-V187 HydrophobicContact CD1-CB 4.07Å; L140-V187 HydrophobicContact CD1-CG1 4.45Å; L140-V187 HydrophobicContact CD1-CG2 3.54Å |
| 141 | A | 91.2 | Very high | 86.9 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K137 R138 L143 L144 V145 | K137-A141 PolarHBondContact O-N 3.11Å; K137-A141 VanDerWaalsContact O-N 3.07Å; R138-A141 WeakPolarHBondContact O-CB 3.16Å; R138-A141 PolarHBondContact O-N 2.83Å; R138-A141 VanDerWaalsContact O-N 3.09Å; A141-L143 VanDerWaalsContact C-N 3.35Å; A141-L143 PolarHBondContact O-N 2.69Å; A141-L144 PolarHBondContact O-N 3Å; A141-V145 WeakPolarHBondContact O-CB 3.35Å; A141-V145 WeakPolarHBondContact O-CG2 3.39Å; A141-V145 PolarHBondContact O-N 3.26Å |
| 142 | E | 92.5 | Very high | 86.2 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.5 | -59.3 | -59.1 | 156.1 | 0 | 0 | 111.8 | F42 L102 R138 G139 L140 L144 G146 | F42-E142 HydrophobicContact CD2-CB 3.97Å; F42-E142 HydrophobicContact CE1-CG 4.32Å; F42-E142 HydrophobicContact CE2-CB 3.6Å; F42-E142 HydrophobicContact CE2-CG 3.85Å; F42-E142 HydrophobicContact CZ-CB 3.96Å; F42-E142 HydrophobicContact CZ-CG 3.69Å; L102-E142 HydrophobicContact CD1-CG 4.13Å; R138-E142 IonicContact CZ-OE1 3.3Å; R138-E142 IonicContact NE-OE1 2.7Å; R138-E142 PolarHBondContact NE-OE1 2.94Å; R138-E142 IonicContact NH2-OE1 3.16Å; R138-E142 PolarHBondContact NH2-OE1 3.34Å; R138-E142 PolarHBondContact O-N 3.2Å; R138-E142 VanDerWaalsContact O-N 3.1Å; G139-E142 PolarHBondContact O-N 3.01Å; L140-E142 PolarHBondContact O-N 3.44Å; E142-L144 PolarHBondContact O-N 3.46Å; E142-G146 WeakPolarHBondContact O-CA 3.2Å; E142-G146 PolarHBondContact O-N 3.32Å |
| 143 | L | 91.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.6 | -28.3 | 178.2 | -76.8 | 173.5 | 0 | 0 | 0 | 114 | D40 F42 L106 G139 L140 A141 G147 K154 I156 V187 | D40-L143 HydrophobicContact CB-CD2 3.57Å; F42-L143 HydrophobicContact CB-CD1 3.93Å; F42-L143 HydrophobicContact CB-CD2 4.05Å; F42-L143 HydrophobicContact CB-CG 3.86Å; L106-L143 HydrophobicContact CD1-CD2 4.13Å; G139-L143 PolarHBondContact O-N 2.85Å; L140-L143 PolarHBondContact O-N 2.8Å; A141-L143 VanDerWaalsContact C-N 3.35Å; A141-L143 PolarHBondContact O-N 2.69Å; L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 3.04Å; L143-K154 HydrophobicContact CB-CD 4.21Å; L143-K154 WeakPolarHBondContact O-CD 3.29Å; L143-K154 WeakPolarHBondContact O-CE 3.41Å; L143-I156 HydrophobicContact CD1-CD1 4.02Å; L143-I156 HydrophobicContact CD1-CG1 3.39Å; L143-V187 HydrophobicContact CD1-CG1 3.75Å |
| 144 | L | 87.6 | Confident | 86.3 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -84.5 | -31.4 | 178.9 | -70.5 | 177.4 | 0 | 0 | 0 | 113.2 | L140 A141 E142 H185 | L140-L144 HydrophobicContact CD1-CD1 3.94Å; L140-L144 HydrophobicContact CD1-CG 4.06Å; L140-L144 HydrophobicContact CG-CD1 3.91Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CG 3.2Å; L140-L144 PolarHBondContact O-N 2.76Å; A141-L144 PolarHBondContact O-N 3Å; E142-L144 PolarHBondContact O-N 3.46Å; L144-H185 HydrophobicContact CD1-CB 4.36Å; L144-H185 HydrophobicContact CD2-CB 4.14Å |
| 145 | V | 83.7 | Confident | 86.5 | Confident | 134 Ų | 134 | 45.5 Ų | 45.5 | 81% | 0.812 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -93.8 | -42.6 | -178.7 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | A141 | A141-V145 WeakPolarHBondContact O-CB 3.35Å; A141-V145 WeakPolarHBondContact O-CG2 3.39Å; A141-V145 PolarHBondContact O-N 3.26Å |
| 146 | G | 74.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -100.5 | -6.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E142 | E142-G146 WeakPolarHBondContact O-CA 3.2Å; E142-G146 PolarHBondContact O-N 3.32Å |
| 147 | G | 78.6 | Confident | 86.9 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -73.7 | 163.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L143 | L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 3.04Å |
| 148 | S | 83.4 | Confident | 87.1 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | trans | -63.6 | 169.7 | 173.3 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | P38 D40 Y150 K154 | P38-S148 VanDerWaalsContact CG-CB 3.46Å; D40-S148 PolarHBondContact OD1-N 3.46Å; D40-S148 WeakPolarHBondContact OD2-CB 3.22Å; D40-S148 PolarHBondContact OD2-N 3.22Å; D40-S148 PolarHBondContact OD2-OG 2.92Å; S148-Y150 PolarHBondContact O-N 3.26Å; S148-K154 PolarHBondContact O-NZ 3.14Å; S148-K154 PolarHBondContact OG-NZ 3.1Å | ||
| 149 | H | 75.4 | Confident | 87.1 | Confident | 143 Ų | 143 | 37.6 Ų | 37.6 | 66% | 0.662 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71.3 | -10.6 | 177 | 62.5 | -85.7 | 0 | 0 | 0 | 114.4 | H151 | H149-H151 PolarHBondContact O-N 3.24Å; H149-H151 VanDerWaalsContact O-N 3.13Å |
| 150 | Y | 72.6 | Confident | 87 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | trans | -79.5 | 95.7 | 175.4 | -69.3 | -82.7 | 0 | 0 | 0 | 109.8 | P38 S148 E152 N153 K154 | P38-Y150 HydrophobicContact CG-CD2 3.79Å; P38-Y150 HydrophobicContact CG-CE2 4.17Å; S148-Y150 PolarHBondContact O-N 3.26Å; Y150-E152 PolarHBondContact O-N 3.41Å; Y150-N153 PolarHBondContact O-N 3.09Å; Y150-K154 PolarHBondContact O-NZ 3.1Å | ||
| 151 | H | 69.1 | Low | 86.6 | Confident | 132 Ų | 132 | 37.5 Ų | 37.5 | 61% | 0.611 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.4 | -179.8 | -64.2 | -68.2 | 0 | 0 | 0 | 113.1 | H149 | H149-H151 PolarHBondContact O-N 3.24Å; H149-H151 VanDerWaalsContact O-N 3.13Å |
| 152 | E | 74.3 | Confident | 86.1 | Confident | 116 Ų | 116 | 35.5 Ų | 35.5 | 54% | 0.542 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -12.3 | -178.6 | -61.1 | -173 | 173.8 | 0 | 0 | 113.9 | Y150 K154 K188 V244 | Y150-E152 PolarHBondContact O-N 3.41Å; E152-K154 VanDerWaalsContact C-N 3.32Å; E152-K154 PolarHBondContact O-N 3.01Å; E152-K188 PolarHBondContact O-NZ 3.41Å; E152-V244 HydrophobicContact CB-CG2 4.32Å |
| 153 | N | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95.3 | 39.2 | -178.6 | -67.4 | -1.9 | 0 | 0 | 0 | 112.6 | C37 P38 V39 D40 Y150 T241 | C37-N153 PolarHBondContact SG-ND2 3.14Å; C37-N153 VanDerWaalsContact SG-ND2 3.38Å; P38-N153 WeakPolarHBondContact O-CB 3.35Å; P38-N153 PolarHBondContact O-ND2 2.68Å; P38-N153 VanDerWaalsContact O-ND2 3.13Å; V39-N153 HydrophobicContact CG2-CB 4.46Å; D40-N153 PolarHBondContact N-O 3.42Å; Y150-N153 PolarHBondContact O-N 3.09Å; N153-T241 HydrophobicContact CB-CG2 4.36Å |
| 154 | K | 94.4 | Very high | 84.4 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.1 | -173.7 | -57.4 | -153.1 | -170.7 | -35.5 | 0 | 112.4 | D40 L143 S148 Y150 E152 V187 K188 | D40-K154 HydrophobicContact CB-CG 4.36Å; D40-K154 IonicContact OD2-NZ 2.83Å; D40-K154 PolarHBondContact OD2-NZ 3.49Å; L143-K154 HydrophobicContact CB-CD 4.21Å; L143-K154 WeakPolarHBondContact O-CD 3.29Å; L143-K154 WeakPolarHBondContact O-CE 3.41Å; S148-K154 PolarHBondContact O-NZ 3.14Å; S148-K154 PolarHBondContact OG-NZ 3.1Å; Y150-K154 PolarHBondContact O-NZ 3.1Å; E152-K154 VanDerWaalsContact C-N 3.32Å; E152-K154 PolarHBondContact O-N 3.01Å; K154-V187 HydrophobicContact CB-CB 4.37Å; K154-V187 HydrophobicContact CB-CG1 4.25Å; K154-V187 HydrophobicContact CB-CG2 3.87Å; K154-V187 WeakPolarHBondContact O-CA 3.36Å; K154-K188 PolarHBondContact O-N 2.85Å |
| 155 | Y | 96.7 | Very high | 83.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 135 | -167.1 | -64.9 | -83.8 | 0 | 0 | 0 | 111.4 | V39 D40 L41 F42 K188 F190 I237 E240 T241 | V39-Y155 HydrophobicContact CG1-CD2 3.69Å; V39-Y155 HydrophobicContact CG1-CE2 3.9Å; D40-Y155 PolarHBondContact O-N 3.35Å; L41-Y155 CarbonylContact C-O 3.3Å; L41-Y155 WeakPolarHBondContact CA-O 3.5Å; F42-Y155 PolarHBondContact N-O 3.21Å; Y155-K188 CarbonylContact C-O 3.38Å; Y155-K188 WeakPolarHBondContact CA-O 3.31Å; Y155-K188 HydrophobicContact CD1-CB 3.59Å; Y155-K188 HydrophobicContact CD1-CD 4.23Å; Y155-K188 HydrophobicContact CD1-CG 4.16Å; Y155-K188 HydrophobicContact CE1-CB 3.74Å; Y155-K188 HydrophobicContact CE1-CD 3.73Å; Y155-K188 HydrophobicContact CE1-CG 3.77Å; Y155-F190 HydrophobicContact CD1-CD2 4.45Å; Y155-F190 AromaticContact CD1-CE2 3.76Å; Y155-F190 HydrophobicContact CD1-CE2 3.76Å; Y155-F190 HydrophobicContact CE1-CE2 4.26Å; Y155-I237 HydrophobicContact CD1-CD1 4.16Å; Y155-I237 HydrophobicContact CD1-CG1 3.74Å; Y155-I237 HydrophobicContact CD2-CG1 4.42Å; Y155-I237 HydrophobicContact CD2-CG2 3.91Å; Y155-I237 HydrophobicContact CE1-CB 4.43Å; Y155-I237 HydrophobicContact CE1-CG1 3.78Å; Y155-I237 HydrophobicContact CE1-CG2 4.36Å; Y155-I237 HydrophobicContact CE2-CG1 4.47Å; Y155-I237 HydrophobicContact CE2-CG2 3.63Å; Y155-I237 HydrophobicContact CG-CD1 4.13Å; Y155-I237 HydrophobicContact CG-CG1 4.06Å; Y155-I237 HydrophobicContact CG-CG2 4.4Å; Y155-E240 WeakPolarHBondContact CE1-OE2 3.34Å; Y155-E240 PolarHBondContact OH-OE2 3.49Å; Y155-T241 HydrophobicContact CE2-CG2 3.87Å |
| 156 | I | 97.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135.9 | 169.7 | -60.7 | 176.2 | 0 | 0 | 0 | 108.3 | F42 V44 L140 L143 V158 V187 K188 V189 F190 | F42-I156 CarbonylContact O-C 3.57Å; F42-I156 VanDerWaalsContact O-CA 3.28Å; F42-I156 WeakPolarHBondContact O-CA 3.37Å; V44-I156 HydrophobicContact CB-CG2 4.23Å; V44-I156 HydrophobicContact CG2-CG2 3.67Å; L140-I156 HydrophobicContact CB-CD1 4.38Å; L143-I156 HydrophobicContact CD1-CD1 4.02Å; L143-I156 HydrophobicContact CD1-CG1 3.39Å; I156-V158 HydrophobicContact CG2-CG2 3.86Å; I156-V187 HydrophobicContact CD1-CG1 4.04Å; I156-V187 HydrophobicContact CG1-CG1 3.87Å; I156-K188 PolarHBondContact N-O 3.46Å; I156-V189 HydrophobicContact CB-CG1 4.31Å; I156-V189 HydrophobicContact CB-CG2 4.2Å; I156-V189 HydrophobicContact CD1-CG2 4.34Å; I156-V189 HydrophobicContact CG2-CG1 4.32Å; I156-V189 WeakPolarHBondContact O-CA 3.43Å; I156-F190 PolarHBondContact O-N 2.9Å |
| 157 | V | 97.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 107.2 | 169.7 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | L41 F42 F43 V44 F72 V159 F190 V192 | L41-V157 HydrophobicContact CD1-CG2 3.77Å; F42-V157 PolarHBondContact O-N 3.36Å; F43-V157 HydrophobicContact CD1-CB 3.84Å; F43-V157 HydrophobicContact CD1-CG1 4.12Å; F43-V157 HydrophobicContact CE1-CB 4Å; F43-V157 HydrophobicContact CE1-CG1 4.17Å; F43-V157 HydrophobicContact CE1-CG2 4.35Å; V44-V157 PolarHBondContact N-O 3.11Å; F72-V157 HydrophobicContact CE2-CG1 4.41Å; F72-V157 HydrophobicContact CE2-CG2 4.33Å; F72-V157 HydrophobicContact CZ-CG2 4.29Å; V157-V159 HydrophobicContact CG1-CG2 4.14Å; V157-F190 HydrophobicContact CG2-CB 4.2Å; V157-F190 HydrophobicContact CG2-CD2 4.41Å; V157-V192 HydrophobicContact CG1-CG2 3.92Å |
| 158 | V | 96.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.2 | 176 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | V44 T132 I136 I156 T160 V189 F190 V192 I206 | V44-V158 HydrophobicContact CB-CG2 4.15Å; V44-V158 HydrophobicContact CG1-CG1 4.17Å; V44-V158 HydrophobicContact CG1-CG2 4.31Å; V44-V158 WeakPolarHBondContact O-CA 3.14Å; T132-V158 HydrophobicContact CG2-CG1 4.42Å; I136-V158 HydrophobicContact CD1-CG2 4.28Å; I136-V158 HydrophobicContact CG1-CG2 3.97Å; I156-V158 HydrophobicContact CG2-CG2 3.86Å; V158-T160 HydrophobicContact CG1-CG2 3.73Å; V158-V189 HydrophobicContact CG2-CG1 3.55Å; V158-F190 PolarHBondContact N-O 3.46Å; V158-V192 PolarHBondContact O-N 3Å; V158-I206 HydrophobicContact CB-CG2 3.88Å; V158-I206 HydrophobicContact CG1-CG2 4.08Å; V158-I206 HydrophobicContact CG2-CG2 3.79Å |
| 159 | V | 94.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 106.1 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V44 L45 D46 I65 F68 V157 V192 I194 | V44-V159 PolarHBondContact O-N 3.23Å; L45-V159 HydrophobicContact CD2-CB 4.09Å; L45-V159 HydrophobicContact CD2-CG2 3.9Å; D46-V159 WeakPolarHBondContact CB-O 3.28Å; D46-V159 PolarHBondContact N-O 3.2Å; I65-V159 HydrophobicContact CD1-CG1 4.5Å; I65-V159 HydrophobicContact CG1-CG1 3.98Å; I65-V159 HydrophobicContact CG2-CG1 4.48Å; F68-V159 HydrophobicContact CD1-CG2 4.19Å; F68-V159 HydrophobicContact CE1-CG2 4.12Å; V157-V159 HydrophobicContact CG1-CG2 4.14Å; V159-V192 WeakPolarHBondContact CA-O 3.25Å; V159-V192 HydrophobicContact CG2-CB 4.35Å; V159-I194 HydrophobicContact CG1-CB 4.21Å; V159-I194 HydrophobicContact CG1-CD1 4.07Å; V159-I194 HydrophobicContact CG1-CG1 4.41Å |
| 160 | T | 91.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 164.6 | -170.1 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | D46 V158 G162 V192 A193 I194 L203 I206 | D46-T160 VanDerWaalsContact OD2-CB 3.31Å; D46-T160 WeakPolarHBondContact OD2-CB 3.48Å; D46-T160 PolarHBondContact OD2-OG1 3.48Å; V158-T160 HydrophobicContact CG1-CG2 3.73Å; T160-G162 VanDerWaalsContact C-N 3.32Å; T160-G162 PolarHBondContact OG1-N 3.37Å; T160-V192 PolarHBondContact N-O 3.49Å; T160-V192 VanDerWaalsContact N-O 3.11Å; T160-A193 WeakPolarHBondContact O-CA 3.39Å; T160-I194 PolarHBondContact O-N 3.45Å; T160-L203 HydrophobicContact CG2-CD2 3.6Å; T160-I206 HydrophobicContact CG2-CD1 3.71Å |
| 161 | D | 85.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -84.9 | -10.1 | 168.1 | 67.8 | -4.1 | 0 | 0 | 0 | 112.8 | S50 V51 R54 H163 I194 S195 E199 | S50-D161 WeakPolarHBondContact CB-OD2 3.34Å; S50-D161 VanDerWaalsContact O-OD2 3.11Å; S50-D161 PolarHBondContact OG-OD1 2.92Å; S50-D161 PolarHBondContact OG-OD2 3.05Å; V51-D161 HydrophobicContact CG2-CB 4.07Å; R54-D161 IonicContact CZ-OD2 3.01Å; R54-D161 VanDerWaalsContact CZ-OD2 3.3Å; R54-D161 IonicContact NE-OD2 3.27Å; R54-D161 PolarHBondContact NE-OD2 3.09Å; R54-D161 VanDerWaalsContact NE-OD2 3.16Å; R54-D161 VanDerWaalsContact NH2-CG 3.33Å; R54-D161 IonicContact NH2-OD2 3.44Å; R54-D161 PolarHBondContact NH2-OD2 2.71Å; D161-H163 VanDerWaalsContact C-N 3.34Å; D161-H163 VanDerWaalsContact OD1-CB 3.3Å; D161-H163 WeakPolarHBondContact OD1-CB 3.37Å; D161-H163 PolarHBondContact OD1-N 2.74Å; D161-I194 HydrophobicContact CB-CG2 4.13Å; D161-S195 VanDerWaalsContact CB-OG 3.3Å; D161-S195 WeakPolarHBondContact CB-OG 3.43Å; D161-E199 PolarHBondContact O-N 3Å | ||
| 162 | G | 79.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | 77.7 | 12.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | T160 R202 | T160-G162 VanDerWaalsContact C-N 3.32Å; T160-G162 PolarHBondContact OG1-N 3.37Å; G162-R202 WeakPolarHBondContact O-CD 3.24Å; G162-R202 VanDerWaalsContact O-CG 3.26Å; G162-R202 WeakPolarHBondContact O-CG 3.44Å; G162-R202 PolarHBondContact O-NE 3.33Å | ||
| 163 | H | 80.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 45 Ų | 45 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | trans | -65.5 | 139.5 | -172.9 | -162.3 | 67.2 | 0 | 0 | 0 | 112.8 | D161 R202 | D161-H163 VanDerWaalsContact C-N 3.34Å; D161-H163 VanDerWaalsContact OD1-CB 3.3Å; D161-H163 WeakPolarHBondContact OD1-CB 3.37Å; D161-H163 PolarHBondContact OD1-N 2.74Å; H163-R202 PolarHBondContact O-NE 3.39Å; H163-R202 PolarHBondContact O-NH2 3.16Å | ||
| 164 | P | 67.9 | Low | 79.3 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | trans | -84.3 | 150.1 | 173.5 | 31.3 | -33.7 | 0 | 0 | 0 | 112.5 | T166 E199 R202 | P164-T166 PolarHBondContact O-N 2.9Å; P164-E199 WeakPolarHBondContact CD-OE2 3.37Å; P164-R202 VanDerWaalsContact CA-CZ 3.45Å | ||
| 165 | I | 63.4 | Low | 79 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | trans | -71.4 | 97.3 | 164.8 | -50.8 | 173.9 | 0 | 0 | 0 | 107.5 | Y131 G167 | Y131-I165 HydrophobicContact CD1-CD1 3.56Å; Y131-I165 HydrophobicContact CE1-CD1 3.77Å; I165-G167 PolarHBondContact O-N 2.99Å; I165-G167 VanDerWaalsContact O-N 3.12Å | ||
| 166 | T | 54.1 | Low | 78.4 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 69% | 0.693 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 115.2 | -178.9 | 56.4 | 0 | 0 | 0 | 0 | 111 | P164 | P164-T166 PolarHBondContact O-N 2.9Š|
| 167 | G | 49.7 | Very low | 77.8 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 86% | 0.856 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -0.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | I165 | I165-G167 PolarHBondContact O-N 2.99Å; I165-G167 VanDerWaalsContact O-N 3.12Å |
| 168 | Y | 52.6 | Low | 77.3 | Confident | 195 Ų | 195 | 53.3 Ų | 53.3 | 77% | 0.765 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -122.2 | 147 | 172.4 | -87.8 | -98.6 | 0 | 0 | 0 | 111.4 | ||
| 169 | K | 60.1 | Low | 77 | Confident | 200 Ų | 200 | 53.3 Ų | 53.3 | 87% | 0.87 | 30% | 0.298 | S | S | * | . | trans | -65.9 | 138.2 | 168 | -71.1 | -175.1 | 176.3 | -175.6 | 0 | 109.1 | ||||
| 170 | E | 77.8 | Confident | 76.5 | Confident | 41 Ų | 41 | 56 Ų | 56 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | trans | -62.9 | 131 | 174.7 | -58.9 | -171 | 124.7 | 0 | 0 | 110 | D133 C172 G174 V175 R202 | D133-E170 WeakPolarHBondContact OD2-CB 3.31Å; E170-C172 PolarHBondContact O-N 2.83Å; E170-G174 WeakPolarHBondContact OE2-CA 3.34Å; E170-V175 WeakPolarHBondContact OE1-CG2 3.32Å; E170-V175 PolarHBondContact OE2-N 3.06Å; E170-R202 IonicContact OE1-CZ 3.24Å; E170-R202 IonicContact OE1-NH1 2.68Å; E170-R202 PolarHBondContact OE1-NH1 3.36Å; E170-R202 IonicContact OE1-NH2 3.63Å; E170-R202 PolarHBondContact OE1-NH2 3.13Å; E170-R202 IonicContact OE2-NH1 2.73Å | ||
| 171 | P | 79.9 | Confident | 76.4 | Confident | 70 Ų | 70 | 59 Ų | 59 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.8 | -159.3 | 26.4 | -32.2 | 0 | 0 | 0 | 115.1 | Y131 | Y131-P171 HydrophobicContact CD1-CG 3.84Å; Y131-P171 HydrophobicContact CD2-CG 3.5Å; Y131-P171 VanDerWaalsContact CD2-CG 3.5Å; Y131-P171 HydrophobicContact CE1-CG 3.92Å; Y131-P171 HydrophobicContact CE2-CB 4.42Å; Y131-P171 HydrophobicContact CE2-CG 3.61Å; Y131-P171 HydrophobicContact CG-CG 3.64Å |
| 172 | C | 82.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 59 Ų | 59 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 23.8 | -178.6 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | D133 C134 K137 E170 | D133-C172 HydrophobicContact CB-CB 4.43Å; D133-C172 VanDerWaalsContact OD2-C 3.31Å; D133-C172 WeakPolarHBondContact OD2-CA 3.11Å; D133-C172 WeakPolarHBondContact OD2-CB 3.29Å; D133-C172 PolarHBondContact OD2-N 2.83Å; C134-C172 WeakPolarHBondContact CA-SG 3.18Å; C134-C172 HydrophobicContact CB-CB 3.93Å; C134-C172 WeakPolarHBondContact CB-SG 3.47Å; C134-C172 WeakPolarHBondContact SG-CB 3.49Å; C134-C172 CovalentContact SG-SG 2.03Å; C134-C172 PolarHBondContact SG-SG 2.89Å; K137-C172 HydrophobicContact CD-CB 4.44Å; K137-C172 WeakPolarHBondContact CE-O 3.4Å; K137-C172 PolarHBondContact NZ-O 2.85Å; E170-C172 PolarHBondContact O-N 2.83Å |
| 173 | G | 75.4 | Confident | 77 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 96.2 | -9.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D133 | D133-G173 PolarHBondContact OD2-N 3.4Š|
| 174 | G | 86 | Confident | 77.2 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | trans | 95.7 | 158.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | D133 E170 Q176 E177 A178 | D133-G174 WeakPolarHBondContact OD2-CA 3.27Å; D133-G174 PolarHBondContact OD2-N 2.87Å; E170-G174 WeakPolarHBondContact OE2-CA 3.34Å; G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 2.91Å; G174-E177 WeakPolarHBondContact O-CB 3.26Å; G174-E177 PolarHBondContact O-N 3.13Å; G174-A178 PolarHBondContact O-N 3.27Å | ||
| 175 | V | 87.3 | Confident | 78 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | -166 | 164.7 | 0 | 0 | 0 | 0 | 111.9 | T132 D133 E170 E177 A178 A179 I206 | T132-V175 HydrophobicContact CG2-CG2 3.98Å; D133-V175 HydrophobicContact CB-CG2 4.03Å; E170-V175 WeakPolarHBondContact OE1-CG2 3.32Å; E170-V175 PolarHBondContact OE2-N 3.06Å; V175-E177 VanDerWaalsContact C-N 3.31Å; V175-E177 PolarHBondContact O-N 2.02Å; V175-A178 PolarHBondContact O-N 2.99Å; V175-A179 WeakPolarHBondContact O-CB 3.49Å; V175-A179 PolarHBondContact O-N 2.96Å; V175-I206 HydrophobicContact CG1-CB 4.3Å; V175-I206 HydrophobicContact CG1-CD1 4.39Å; V175-I206 HydrophobicContact CG1-CG1 3.33Å |
| 176 | Q | 83.9 | Confident | 79.1 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 176.5 | -174.2 | 59.1 | 69.9 | 0 | 0 | 112.2 | G174 N180 L205 | G174-Q176 VanDerWaalsContact C-N 3.33Å; G174-Q176 PolarHBondContact O-N 2.91Å; Q176-N180 PolarHBondContact NE2-ND2 2.88Å; Q176-N180 PolarHBondContact NE2-OD1 2.81Å; Q176-N180 VanDerWaalsContact O-CB 3.27Å; Q176-N180 WeakPolarHBondContact O-CB 3.48Å; Q176-N180 PolarHBondContact O-N 2.8Å; Q176-N180 PolarHBondContact O-ND2 3.33Å; Q176-N180 VanDerWaalsContact O-ND2 3.1Å; Q176-L205 VanDerWaalsContact OE1-CD2 3.23Å |
| 177 | E | 85.5 | Confident | 81 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.1 | -48 | 175.3 | -164.9 | -169.1 | 105.3 | 0 | 0 | 110.1 | K137 G174 V175 A179 N180 E181 | K137-E177 IonicContact NZ-OE1 2.64Å; K137-E177 PolarHBondContact NZ-OE1 3.05Å; G174-E177 WeakPolarHBondContact O-CB 3.26Å; G174-E177 PolarHBondContact O-N 3.13Å; V175-E177 VanDerWaalsContact C-N 3.31Å; V175-E177 PolarHBondContact O-N 2.02Å; E177-A179 PolarHBondContact O-N 2.86Å; E177-N180 CarbonylContact O-C 3.48Å; E177-N180 PolarHBondContact O-N 3.38Å; E177-N180 VanDerWaalsContact O-N 3.13Å; E177-E181 WeakPolarHBondContact O-CB 3.5Å; E177-E181 PolarHBondContact O-N 2.77Å |
| 178 | A | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | D133 I136 K137 G174 V175 E181 A182 | D133-A178 HydrophobicContact CB-CB 4.3Å; I136-A178 HydrophobicContact CB-CB 3.99Å; I136-A178 HydrophobicContact CG2-CB 3.86Å; K137-A178 HydrophobicContact CD-CB 4.47Å; K137-A178 HydrophobicContact CG-CB 3.78Å; G174-A178 PolarHBondContact O-N 3.27Å; V175-A178 PolarHBondContact O-N 2.99Å; A178-E181 PolarHBondContact O-N 3.34Å; A178-A182 PolarHBondContact O-N 3.29Å |
| 179 | A | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V175 E177 E181 A182 R183 L205 T208 | V175-A179 WeakPolarHBondContact O-CB 3.49Å; V175-A179 PolarHBondContact O-N 2.96Å; E177-A179 PolarHBondContact O-N 2.86Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.83Å; A179-A182 PolarHBondContact O-N 2.69Å; A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 PolarHBondContact O-N 2.7Å; A179-L205 VanDerWaalsContact CB-O 3.32Å; A179-L205 WeakPolarHBondContact CB-O 3.48Å; A179-T208 WeakPolarHBondContact O-CG2 3.38Å |
| 180 | N | 85.9 | Confident | 87 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.4 | -32.2 | 175 | -76.5 | -24.6 | 0 | 0 | 0 | 112.8 | Q176 E177 R183 Q184 | Q176-N180 PolarHBondContact NE2-ND2 2.88Å; Q176-N180 PolarHBondContact NE2-OD1 2.81Å; Q176-N180 VanDerWaalsContact O-CB 3.27Å; Q176-N180 WeakPolarHBondContact O-CB 3.48Å; Q176-N180 PolarHBondContact O-N 2.8Å; Q176-N180 PolarHBondContact O-ND2 3.33Å; Q176-N180 VanDerWaalsContact O-ND2 3.1Å; E177-N180 CarbonylContact O-C 3.48Å; E177-N180 PolarHBondContact O-N 3.38Å; E177-N180 VanDerWaalsContact O-N 3.13Å; N180-R183 PolarHBondContact OD1-NH1 2.81Å; N180-Q184 VanDerWaalsContact O-CG 3.31Å; N180-Q184 WeakPolarHBondContact O-CG 3.44Å; N180-Q184 PolarHBondContact O-N 3.36Å; N180-Q184 PolarHBondContact O-NE2 2.81Å; N180-Q184 VanDerWaalsContact O-NE2 3.16Å |
| 181 | E | 88.1 | Confident | 87.8 | Confident | 64 Ų | 64 | 41.6 Ų | 41.6 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.1 | -49.2 | 174.1 | -165.1 | -179.4 | 150.3 | 0 | 0 | 110.3 | K137 L140 E177 A178 A179 R183 Q184 H185 | K137-E181 WeakPolarHBondContact CD-OE2 3.47Å; K137-E181 WeakPolarHBondContact CE-OE2 3.47Å; K137-E181 IonicContact NZ-OE2 2.6Å; K137-E181 PolarHBondContact NZ-OE2 2.9Å; L140-E181 HydrophobicContact CD2-CB 4.21Å; L140-E181 HydrophobicContact CD2-CG 3.83Å; E177-E181 WeakPolarHBondContact O-CB 3.5Å; E177-E181 PolarHBondContact O-N 2.77Å; A178-E181 PolarHBondContact O-N 3.34Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.83Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 2.71Å; E181-Q184 WeakPolarHBondContact O-CB 3.25Å; E181-Q184 PolarHBondContact O-N 3.49Å; E181-Q184 VanDerWaalsContact O-N 3.13Å; E181-H185 PolarHBondContact O-CD2 3.25Å; E181-H185 PolarHBondContact O-N 2.66Å; E181-H185 VanDerWaalsContact O-N 3.15Å |
| 182 | A | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L140 A178 A179 Q184 H185 G186 V187 V189 T208 | L140-A182 HydrophobicContact CD1-CB 4.32Å; L140-A182 HydrophobicContact CD2-CB 4.29Å; A178-A182 PolarHBondContact O-N 3.29Å; A179-A182 PolarHBondContact O-N 2.69Å; A182-Q184 VanDerWaalsContact C-N 3.35Å; A182-Q184 PolarHBondContact O-N 2.89Å; A182-H185 CarbonylContact O-C 3.52Å; A182-H185 PolarHBondContact O-N 2.93Å; A182-H185 VanDerWaalsContact O-N 3.14Å; A182-G186 PolarHBondContact O-N 3.23Å; A182-V187 CarbonylContact C-O 3.43Å; A182-V187 HydrophobicContact CB-CB 4.28Å; A182-V187 WeakPolarHBondContact O-CB 3.41Å; A182-V187 PolarHBondContact O-N 3.3Å; A182-V189 HydrophobicContact CB-CG2 3.72Å; A182-T208 HydrophobicContact CB-CG2 4.32Å |
| 183 | R | 89.3 | Confident | 89 | Confident | 117 Ų | 117 | 36 Ų | 36 | 44% | 0.442 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 176 | -168 | -168.3 | -74.1 | 152.1 | -2.1 | 112.2 | A179 N180 E181 H185 G186 T208 | A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 PolarHBondContact O-N 2.7Å; N180-R183 PolarHBondContact OD1-NH1 2.81Å; E181-R183 VanDerWaalsContact C-N 3.33Å; E181-R183 PolarHBondContact O-N 2.71Å; R183-H185 PolarHBondContact O-N 3.35Å; R183-G186 PolarHBondContact O-N 2.69Å; R183-G186 VanDerWaalsContact O-N 3.13Å; R183-T208 HydrophobicContact CB-CG2 4.04Å; R183-T208 VanDerWaalsContact CZ-O 3.23Å; R183-T208 PolarHBondContact NE-O 3.07Å; R183-T208 PolarHBondContact NH2-O 3.41Å |
| 184 | Q | 85 | Confident | 89.5 | Confident | 137 Ų | 137 | 33.9 Ų | 33.9 | 64% | 0.64 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -64.6 | -29.6 | 177.7 | -79.1 | 173.5 | 81.9 | 0 | 0 | 113 | N180 E181 A182 G186 | N180-Q184 VanDerWaalsContact O-CG 3.31Å; N180-Q184 WeakPolarHBondContact O-CG 3.44Å; N180-Q184 PolarHBondContact O-N 3.36Å; N180-Q184 PolarHBondContact O-NE2 2.81Å; N180-Q184 VanDerWaalsContact O-NE2 3.16Å; E181-Q184 WeakPolarHBondContact O-CB 3.25Å; E181-Q184 PolarHBondContact O-N 3.49Å; E181-Q184 VanDerWaalsContact O-N 3.13Å; A182-Q184 VanDerWaalsContact C-N 3.35Å; A182-Q184 PolarHBondContact O-N 2.89Å; Q184-G186 VanDerWaalsContact C-N 3.31Å |
| 185 | H | 84.8 | Confident | 89.1 | Confident | 91 Ų | 91 | 33.5 Ų | 33.5 | 42% | 0.421 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 7.3 | 175.3 | -78.5 | -72.2 | 0 | 0 | 0 | 114.3 | L140 L144 E181 A182 R183 V187 | L140-H185 HydrophobicContact CD1-CB 4.14Å; L144-H185 HydrophobicContact CD1-CB 4.36Å; L144-H185 HydrophobicContact CD2-CB 4.14Å; E181-H185 PolarHBondContact O-CD2 3.25Å; E181-H185 PolarHBondContact O-N 2.66Å; E181-H185 VanDerWaalsContact O-N 3.15Å; A182-H185 CarbonylContact O-C 3.52Å; A182-H185 PolarHBondContact O-N 2.93Å; A182-H185 VanDerWaalsContact O-N 3.14Å; R183-H185 PolarHBondContact O-N 3.35Å; H185-V187 HydrophobicContact CB-CG2 4.24Å; H185-V187 PolarHBondContact O-N 2.95Å |
| 186 | G | 86.6 | Confident | 88.3 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 5.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A182 R183 Q184 K188 | A182-G186 PolarHBondContact O-N 3.23Å; R183-G186 PolarHBondContact O-N 2.69Å; R183-G186 VanDerWaalsContact O-N 3.13Å; Q184-G186 VanDerWaalsContact C-N 3.31Å; G186-K188 WeakPolarHBondContact O-CD 3.36Å; G186-K188 PolarHBondContact O-NZ 2.92Å |
| 187 | V | 93.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | trans | -84.3 | 132.2 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 110 | L140 L143 K154 I156 A182 H185 | L140-V187 HydrophobicContact CD1-CB 4.07Å; L140-V187 HydrophobicContact CD1-CG1 4.45Å; L140-V187 HydrophobicContact CD1-CG2 3.54Å; L143-V187 HydrophobicContact CD1-CG1 3.75Å; K154-V187 HydrophobicContact CB-CB 4.37Å; K154-V187 HydrophobicContact CB-CG1 4.25Å; K154-V187 HydrophobicContact CB-CG2 3.87Å; K154-V187 WeakPolarHBondContact O-CA 3.36Å; I156-V187 HydrophobicContact CD1-CG1 4.04Å; I156-V187 HydrophobicContact CG1-CG1 3.87Å; A182-V187 CarbonylContact C-O 3.43Å; A182-V187 HydrophobicContact CB-CB 4.28Å; A182-V187 WeakPolarHBondContact O-CB 3.41Å; A182-V187 PolarHBondContact O-N 3.3Å; H185-V187 HydrophobicContact CB-CG2 4.24Å; H185-V187 PolarHBondContact O-N 2.95Å | ||
| 188 | K | 95.1 | Very high | 86.7 | Confident | 36 Ų | 36 | 37.8 Ų | 37.8 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.1 | 179.2 | -65.6 | 73.5 | 174.2 | 168.7 | 0 | 109.5 | E152 K154 Y155 I156 G186 T208 Y212 | E152-K188 PolarHBondContact O-NZ 3.41Å; K154-K188 PolarHBondContact O-N 2.85Å; Y155-K188 CarbonylContact C-O 3.38Å; Y155-K188 WeakPolarHBondContact CA-O 3.31Å; Y155-K188 HydrophobicContact CD1-CB 3.59Å; Y155-K188 HydrophobicContact CD1-CD 4.23Å; Y155-K188 HydrophobicContact CD1-CG 4.16Å; Y155-K188 HydrophobicContact CE1-CB 3.74Å; Y155-K188 HydrophobicContact CE1-CD 3.73Å; Y155-K188 HydrophobicContact CE1-CG 3.77Å; I156-K188 PolarHBondContact N-O 3.46Å; G186-K188 WeakPolarHBondContact O-CD 3.36Å; G186-K188 PolarHBondContact O-NZ 2.92Å; K188-T208 WeakPolarHBondContact CA-OG1 3.46Å; K188-Y212 HydrophobicContact CB-CD2 4.23Å; K188-Y212 HydrophobicContact CB-CE2 3.8Å; K188-Y212 HydrophobicContact CG-CD2 4.5Å; K188-Y212 HydrophobicContact CG-CE1 4.46Å; K188-Y212 HydrophobicContact CG-CE2 3.59Å; K188-Y212 WeakPolarHBondContact CG-OH 3.36Å |
| 189 | V | 96.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.2 | 176.9 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | I156 V158 A182 I206 A207 T208 Y212 | I156-V189 HydrophobicContact CB-CG1 4.31Å; I156-V189 HydrophobicContact CB-CG2 4.2Å; I156-V189 HydrophobicContact CD1-CG2 4.34Å; I156-V189 HydrophobicContact CG2-CG1 4.32Å; I156-V189 WeakPolarHBondContact O-CA 3.43Å; V158-V189 HydrophobicContact CG2-CG1 3.55Å; A182-V189 HydrophobicContact CB-CG2 3.72Å; V189-I206 HydrophobicContact CG1-CG2 3.99Å; V189-I206 WeakPolarHBondContact CG1-O 3.34Å; V189-A207 VanDerWaalsContact O-CA 3.29Å; V189-A207 WeakPolarHBondContact O-CA 3.35Å; V189-T208 HydrophobicContact CB-CG2 3.8Å; V189-T208 HydrophobicContact CG2-CG2 3.57Å; V189-T208 PolarHBondContact N-OG1 3.26Å; V189-T208 PolarHBondContact O-N 2.69Å; V189-T208 VanDerWaalsContact O-N 3.17Å; V189-Y212 WeakPolarHBondContact O-CB 3.42Å |
| 190 | F | 97.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.3 | 167.8 | -72.4 | -89.3 | 0 | 0 | 0 | 110.1 | Y155 I156 V157 V158 Y212 F216 I233 M236 I237 | Y155-F190 HydrophobicContact CD1-CD2 4.45Å; Y155-F190 AromaticContact CD1-CE2 3.76Å; Y155-F190 HydrophobicContact CD1-CE2 3.76Å; Y155-F190 HydrophobicContact CE1-CE2 4.26Å; I156-F190 PolarHBondContact O-N 2.9Å; V157-F190 HydrophobicContact CG2-CB 4.2Å; V157-F190 HydrophobicContact CG2-CD2 4.41Å; V158-F190 PolarHBondContact N-O 3.46Å; F190-Y212 HydrophobicContact CD1-CD1 4.05Å; F190-Y212 HydrophobicContact CD1-CG 4.27Å; F190-Y212 AromaticContact CE1-CD1 3.45Å; F190-Y212 HydrophobicContact CE1-CD1 3.45Å; F190-Y212 VanDerWaalsContact CE1-CD1 3.45Å; F190-Y212 HydrophobicContact CE1-CE1 4.33Å; F190-Y212 HydrophobicContact CE1-CG 4.12Å; F190-Y212 HydrophobicContact CE2-CD1 4.18Å; F190-Y212 AromaticContact CZ-CD1 3.52Å; F190-Y212 HydrophobicContact CZ-CD1 3.52Å; F190-Y212 AromaticContact CZ-CE1 4Å; F190-Y212 HydrophobicContact CZ-CE1 4Å; F190-Y212 HydrophobicContact CZ-CG 4.35Å; F190-F216 HydrophobicContact CD1-CD2 4.28Å; F190-F216 AromaticContact CD1-CE2 3.78Å; F190-F216 HydrophobicContact CD1-CE2 3.78Å; F190-F216 HydrophobicContact CE1-CE2 4.09Å; F190-I233 HydrophobicContact CD1-CD1 4.49Å; F190-I233 HydrophobicContact CD1-CG1 4.03Å; F190-I233 HydrophobicContact CD1-CG2 3.85Å; F190-I233 HydrophobicContact CD2-CG2 3.96Å; F190-I233 HydrophobicContact CE1-CB 4.38Å; F190-I233 HydrophobicContact CE1-CG1 4.21Å; F190-I233 HydrophobicContact CE1-CG2 3.8Å; F190-I233 HydrophobicContact CE2-CG2 3.9Å; F190-I233 HydrophobicContact CG-CG2 3.93Å; F190-I233 HydrophobicContact CZ-CG2 3.84Å; F190-M236 HydrophobicContact CE1-CE 4.09Å; F190-M236 HydrophobicContact CE1-SD 4.11Å; F190-M236 HydrophobicContact CZ-CB 4.31Å; F190-M236 HydrophobicContact CZ-CE 4.45Å; F190-I237 HydrophobicContact CE2-CD1 3.92Å; F190-I237 HydrophobicContact CE2-CG1 3.72Å; F190-I237 HydrophobicContact CZ-CD1 4.49Å; F190-I237 HydrophobicContact CZ-CG1 3.99Å |
| 191 | A | 94.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L203 I206 A207 Y212 R213 | A191-L203 HydrophobicContact CB-CB 4.4Å; A191-L203 HydrophobicContact CB-CD2 4.48Å; A191-L203 WeakPolarHBondContact CB-O 3.38Å; A191-I206 HydrophobicContact CB-CB 4.1Å; A191-I206 HydrophobicContact CB-CG2 3.9Å; A191-A207 HydrophobicContact CB-CB 4.16Å; A191-Y212 PolarHBondContact N-O 2.58Å; A191-R213 VanDerWaalsContact O-CD 3.3Å; A191-R213 WeakPolarHBondContact O-CD 3.46Å |
| 192 | V | 94.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.8 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | F68 V157 V158 V159 T160 F216 A218 T229 I233 | F68-V192 HydrophobicContact CE1-CG1 4.13Å; F68-V192 HydrophobicContact CE2-CG1 4.44Å; F68-V192 HydrophobicContact CZ-CG1 3.84Å; V157-V192 HydrophobicContact CG1-CG2 3.92Å; V158-V192 PolarHBondContact O-N 3Å; V159-V192 WeakPolarHBondContact CA-O 3.25Å; V159-V192 HydrophobicContact CG2-CB 4.35Å; T160-V192 PolarHBondContact N-O 3.49Å; T160-V192 VanDerWaalsContact N-O 3.11Å; V192-F216 HydrophobicContact CB-CB 4.48Å; V192-F216 HydrophobicContact CG1-CB 4.4Å; V192-F216 HydrophobicContact CG2-CB 4.1Å; V192-A218 HydrophobicContact CG1-CB 4.01Å; V192-T229 HydrophobicContact CG1-CG2 4.33Å; V192-I233 HydrophobicContact CG2-CD1 3.83Å |
| 193 | A | 90.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T160 Q198 L203 F216 T217 A218 | T160-A193 WeakPolarHBondContact O-CA 3.39Å; A193-Q198 HydrophobicContact CB-CB 4.08Å; A193-Q198 HydrophobicContact CB-CG 4.31Å; A193-L203 HydrophobicContact CB-CD1 3.64Å; A193-F216 PolarHBondContact N-O 3.49Å; A193-T217 CarbonylContact O-C 3.52Å; A193-T217 WeakPolarHBondContact O-CA 3.42Å; A193-T217 PolarHBondContact O-OG1 2.6Å; A193-A218 PolarHBondContact O-N 2.94Å |
| 194 | I | 87.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -100.7 | -15.3 | -178.7 | -164.1 | 58.9 | 0 | 0 | 0 | 115.4 | V51 Y61 Q64 I65 V159 T160 D161 A218 A219 | V51-I194 HydrophobicContact CG1-CG2 3.9Å; V51-I194 HydrophobicContact CG2-CG2 3.99Å; Y61-I194 HydrophobicContact CD1-CG1 4.25Å; Y61-I194 VanDerWaalsContact CD1-O 3.3Å; Y61-I194 WeakPolarHBondContact CD1-O 3.41Å; Y61-I194 VanDerWaalsContact CE1-O 3.29Å; Y61-I194 WeakPolarHBondContact CE1-O 3.21Å; Q64-I194 HydrophobicContact CB-CD1 4.22Å; I65-I194 HydrophobicContact CD1-CD1 4.45Å; I65-I194 HydrophobicContact CD1-CG1 3.95Å; I65-I194 HydrophobicContact CG1-CB 4.5Å; I65-I194 HydrophobicContact CG1-CD1 3.49Å; I65-I194 VanDerWaalsContact CG1-CD1 3.49Å; I65-I194 HydrophobicContact CG1-CG1 3.51Å; V159-I194 HydrophobicContact CG1-CB 4.21Å; V159-I194 HydrophobicContact CG1-CD1 4.07Å; V159-I194 HydrophobicContact CG1-CG1 4.41Å; T160-I194 PolarHBondContact O-N 3.45Å; D161-I194 HydrophobicContact CB-CG2 4.13Å; I194-A218 HydrophobicContact CD1-CB 3.65Å; I194-A219 VanDerWaalsContact C-CB 3.46Å; I194-A219 WeakPolarHBondContact O-CA 3.22Å; I194-A219 WeakPolarHBondContact O-CB 3.32Å | ||
| 195 | S | 77.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -131.7 | 153.8 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | R54 D161 Q198 | R54-S195 PolarHBondContact NH1-OG 3.27Å; D161-S195 VanDerWaalsContact CB-OG 3.3Å; D161-S195 WeakPolarHBondContact CB-OG 3.43Å; S195-Q198 WeakPolarHBondContact O-CB 3.47Å; S195-Q198 PolarHBondContact O-OE1 3.03Å; S195-Q198 VanDerWaalsContact O-OE1 3.11Å |
| 196 | P | 68.5 | Low | 84.4 | Confident | 84 Ų | 84 | 34.8 Ų | 34.8 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -67.9 | -37 | 179.5 | 26.2 | -33.8 | 0 | 0 | 0 | 113.8 | Q198 | P196-Q198 PolarHBondContact O-N 2.83Š|
| 197 | D | 65.6 | Low | 84.6 | Confident | 131 Ų | 131 | 33.7 Ų | 33.7 | 70% | 0.701 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -84.7 | 57.5 | 175.8 | -47.5 | -62.6 | 0 | 0 | 0 | 110.9 | R54 | R54-D197 PolarHBondContact NH1-O 3.02Å; R54-D197 PolarHBondContact NH2-O 3.38Å |
| 198 | Q | 71.5 | Confident | 84.4 | Confident | 48 Ų | 48 | 33.9 Ų | 33.9 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | trans | -83.2 | 147.1 | -178.1 | 64.7 | -152.5 | 23.5 | 0 | 0 | 112.3 | A193 S195 P196 D200 L203 | A193-Q198 HydrophobicContact CB-CB 4.08Å; A193-Q198 HydrophobicContact CB-CG 4.31Å; S195-Q198 WeakPolarHBondContact O-CB 3.47Å; S195-Q198 PolarHBondContact O-OE1 3.03Å; S195-Q198 VanDerWaalsContact O-OE1 3.11Å; P196-Q198 PolarHBondContact O-N 2.83Å; Q198-D200 WeakPolarHBondContact CG-OD1 3.37Å; Q198-D200 PolarHBondContact NE2-OD1 3.07Å; Q198-D200 PolarHBondContact O-N 3.14Å; Q198-D200 VanDerWaalsContact O-N 3.17Å; Q198-L203 HydrophobicContact CB-CD1 3.97Å; Q198-L203 HydrophobicContact CG-CD1 4.31Å | ||
| 199 | E | 70.8 | Confident | 84.1 | Confident | 72 Ų | 72 | 35.6 Ų | 35.6 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | trans | -86.9 | 84.2 | 172.6 | -167.3 | 171.7 | 143.6 | 0 | 0 | 110.6 | D161 P164 T201 R202 L203 | D161-E199 PolarHBondContact O-N 3Å; P164-E199 WeakPolarHBondContact CD-OE2 3.37Å; E199-T201 VanDerWaalsContact CG-OG1 3.3Å; E199-T201 WeakPolarHBondContact CG-OG1 3.49Å; E199-T201 PolarHBondContact O-N 2.69Å; E199-R202 HydrophobicContact CB-CB 4.12Å; E199-R202 HydrophobicContact CG-CB 3.77Å; E199-R202 PolarHBondContact O-N 2.72Å; E199-R202 WeakPolarHBondContact OE1-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.33Å; E199-L203 PolarHBondContact O-N 2.9Å | ||
| 200 | D | 75.3 | Confident | 83.3 | Confident | 72 Ų | 72 | 43.7 Ų | 43.7 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.8 | -37.2 | -177.3 | -79.1 | -36.5 | 0 | 0 | 0 | 113.4 | Q198 S204 R213 | Q198-D200 WeakPolarHBondContact CG-OD1 3.37Å; Q198-D200 PolarHBondContact NE2-OD1 3.07Å; Q198-D200 PolarHBondContact O-N 3.14Å; Q198-D200 VanDerWaalsContact O-N 3.17Å; D200-S204 WeakPolarHBondContact O-CB 3.38Å; D200-S204 PolarHBondContact O-N 3.37Å; D200-S204 VanDerWaalsContact O-N 3.11Å; D200-S204 PolarHBondContact O-OG 3.42Å; D200-R213 IonicContact OD1-CZ 2.68Å; D200-R213 IonicContact OD1-NH1 3.09Å; D200-R213 IonicContact OD1-NH2 3.75Å; D200-R213 PolarHBondContact OD1-NH2 3.31Å |
| 201 | T | 76.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 46.7 Ų | 46.7 | 61% | 0.613 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.3 | -49.3 | 174.9 | 39.5 | 0 | 0 | 0 | 0 | 111.3 | E199 S204 L205 | E199-T201 VanDerWaalsContact CG-OG1 3.3Å; E199-T201 WeakPolarHBondContact CG-OG1 3.49Å; E199-T201 PolarHBondContact O-N 2.69Å; T201-S204 WeakPolarHBondContact O-CB 3.41Å; T201-S204 PolarHBondContact O-N 2.75Å; T201-L205 PolarHBondContact O-N 2.64Å |
| 202 | R | 81.2 | Confident | 82.6 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.5 | -33.4 | -175.5 | -175 | 161.2 | 150.7 | 94.3 | 4.4 | 112.9 | G162 H163 P164 E170 E199 S204 L205 I206 | G162-R202 WeakPolarHBondContact O-CD 3.24Å; G162-R202 VanDerWaalsContact O-CG 3.26Å; G162-R202 WeakPolarHBondContact O-CG 3.44Å; G162-R202 PolarHBondContact O-NE 3.33Å; H163-R202 PolarHBondContact O-NE 3.39Å; H163-R202 PolarHBondContact O-NH2 3.16Å; P164-R202 VanDerWaalsContact CA-CZ 3.45Å; E170-R202 IonicContact OE1-CZ 3.24Å; E170-R202 IonicContact OE1-NH1 2.68Å; E170-R202 PolarHBondContact OE1-NH1 3.36Å; E170-R202 IonicContact OE1-NH2 3.63Å; E170-R202 PolarHBondContact OE1-NH2 3.13Å; E170-R202 IonicContact OE2-NH1 2.73Å; E199-R202 HydrophobicContact CB-CB 4.12Å; E199-R202 HydrophobicContact CG-CB 3.77Å; E199-R202 PolarHBondContact O-N 2.72Å; E199-R202 WeakPolarHBondContact OE1-CB 3.43Å; R202-S204 PolarHBondContact O-N 3.47Å; R202-L205 WeakPolarHBondContact O-CB 3.31Å; R202-L205 PolarHBondContact O-N 3.01Å; R202-L205 VanDerWaalsContact O-N 3.08Å; R202-I206 PolarHBondContact O-N 3.28Å; R202-I206 VanDerWaalsContact O-N 3.16Å |
| 203 | L | 85.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -30.8 | 166.6 | -67.7 | 173.7 | 0 | 0 | 0 | 112.3 | T160 A191 A193 Q198 E199 I206 A207 R213 | T160-L203 HydrophobicContact CG2-CD2 3.6Å; A191-L203 HydrophobicContact CB-CB 4.4Å; A191-L203 HydrophobicContact CB-CD2 4.48Å; A191-L203 WeakPolarHBondContact CB-O 3.38Å; A193-L203 HydrophobicContact CB-CD1 3.64Å; Q198-L203 HydrophobicContact CB-CD1 3.97Å; Q198-L203 HydrophobicContact CG-CD1 4.31Å; E199-L203 WeakPolarHBondContact O-CG 3.33Å; E199-L203 PolarHBondContact O-N 2.9Å; L203-I206 HydrophobicContact CD2-CD1 4.25Å; L203-I206 PolarHBondContact O-N 3.23Å; L203-A207 PolarHBondContact O-N 3.44Å; L203-R213 HydrophobicContact CB-CG 4.46Å; L203-R213 VanDerWaalsContact CD1-NH2 3.35Å |
| 204 | S | 85.6 | Confident | 81.8 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.4 | -22.3 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | D200 T201 R202 | D200-S204 WeakPolarHBondContact O-CB 3.38Å; D200-S204 PolarHBondContact O-N 3.37Å; D200-S204 VanDerWaalsContact O-N 3.11Å; D200-S204 PolarHBondContact O-OG 3.42Å; T201-S204 WeakPolarHBondContact O-CB 3.41Å; T201-S204 PolarHBondContact O-N 2.75Å; R202-S204 PolarHBondContact O-N 3.47Å |
| 205 | L | 86.3 | Confident | 81.4 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 41% | 0.414 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -78.8 | -29.8 | 171.5 | -54.6 | 175.7 | 0 | 0 | 0 | 112.4 | Q176 A179 T201 R202 | Q176-L205 VanDerWaalsContact OE1-CD2 3.23Å; A179-L205 VanDerWaalsContact CB-O 3.32Å; A179-L205 WeakPolarHBondContact CB-O 3.48Å; T201-L205 PolarHBondContact O-N 2.64Å; R202-L205 WeakPolarHBondContact O-CB 3.31Å; R202-L205 PolarHBondContact O-N 3.01Å; R202-L205 VanDerWaalsContact O-N 3.08Å |
| 206 | I | 89.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.5 | -68.7 | 169.9 | 0 | 0 | 0 | 111 | T132 I136 V158 T160 V175 V189 A191 R202 L203 | T132-I206 HydrophobicContact CG2-CD1 3.84Å; T132-I206 HydrophobicContact CG2-CG1 4.22Å; I136-I206 HydrophobicContact CD1-CG2 3.99Å; V158-I206 HydrophobicContact CB-CG2 3.88Å; V158-I206 HydrophobicContact CG1-CG2 4.08Å; V158-I206 HydrophobicContact CG2-CG2 3.79Å; T160-I206 HydrophobicContact CG2-CD1 3.71Å; V175-I206 HydrophobicContact CG1-CB 4.3Å; V175-I206 HydrophobicContact CG1-CD1 4.39Å; V175-I206 HydrophobicContact CG1-CG1 3.33Å; V189-I206 HydrophobicContact CG1-CG2 3.99Å; V189-I206 WeakPolarHBondContact CG1-O 3.34Å; A191-I206 HydrophobicContact CB-CB 4.1Å; A191-I206 HydrophobicContact CB-CG2 3.9Å; R202-I206 PolarHBondContact O-N 3.28Å; R202-I206 VanDerWaalsContact O-N 3.16Å; L203-I206 HydrophobicContact CD2-CD1 4.25Å; L203-I206 PolarHBondContact O-N 3.23Å |
| 207 | A | 91.2 | Very high | 82.8 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -72.5 | 134.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V189 A191 L203 D209 R213 | V189-A207 VanDerWaalsContact O-CA 3.29Å; V189-A207 WeakPolarHBondContact O-CA 3.35Å; A191-A207 HydrophobicContact CB-CB 4.16Å; L203-A207 PolarHBondContact O-N 3.44Å; A207-D209 PolarHBondContact O-N 2.74Å; A207-R213 HydrophobicContact CB-CB 3.74Å |
| 208 | T | 89.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72 | -13.6 | 179.7 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | A179 A182 R183 K188 V189 Y212 | A179-T208 WeakPolarHBondContact O-CG2 3.38Å; A182-T208 HydrophobicContact CB-CG2 4.32Å; R183-T208 HydrophobicContact CB-CG2 4.04Å; R183-T208 VanDerWaalsContact CZ-O 3.23Å; R183-T208 PolarHBondContact NE-O 3.07Å; R183-T208 PolarHBondContact NH2-O 3.41Å; K188-T208 WeakPolarHBondContact CA-OG1 3.46Å; V189-T208 HydrophobicContact CB-CG2 3.8Å; V189-T208 HydrophobicContact CG2-CG2 3.57Å; V189-T208 PolarHBondContact N-OG1 3.26Å; V189-T208 PolarHBondContact O-N 2.69Å; V189-T208 VanDerWaalsContact O-N 3.17Å; T208-Y212 VanDerWaalsContact OG1-CD2 3.3Å; T208-Y212 WeakPolarHBondContact OG1-CD2 3.33Å |
| 209 | D | 88 | Confident | 83.9 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -151.2 | 152.6 | 172.9 | -172.7 | -92.2 | 0 | 0 | 0 | 109.4 | A207 T211 Y212 | A207-D209 PolarHBondContact O-N 2.74Å; D209-T211 PolarHBondContact O-N 3.37Å; D209-T211 VanDerWaalsContact OD1-CB 3.29Å; D209-T211 WeakPolarHBondContact OD1-CB 3.39Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D209-T211 PolarHBondContact OD1-N 3.2Å; D209-T211 PolarHBondContact OD1-OG1 3Å; D209-Y212 HydrophobicContact CB-CD2 3.5Å; D209-Y212 VanDerWaalsContact CB-CD2 3.5Å; D209-Y212 HydrophobicContact CB-CE2 3.57Å; D209-Y212 HydrophobicContact CB-CG 4.28Å; D209-Y212 PolarHBondContact O-N 3Å |
| 210 | Q | 81.1 | Confident | 83.9 | Confident | 169 Ų | 169 | 48.3 Ų | 48.3 | 79% | 0.79 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -60.7 | -30.7 | 179.1 | -167.2 | 176.4 | 17.3 | 0 | 0 | 112.4 | Y212 R213 | Q210-Y212 VanDerWaalsContact C-N 3.28Å; Q210-Y212 PolarHBondContact O-N 3.26Å; Q210-R213 PolarHBondContact O-N 3.48Å; Q210-R213 VanDerWaalsContact O-N 3.11Å |
| 211 | T | 86.6 | Confident | 83.4 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -67.3 | -25.1 | 174.5 | 60.8 | 0 | 0 | 0 | 0 | 113 | D209 R213 Q214 M236 | D209-T211 PolarHBondContact O-N 3.37Å; D209-T211 VanDerWaalsContact OD1-CB 3.29Å; D209-T211 WeakPolarHBondContact OD1-CB 3.39Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D209-T211 PolarHBondContact OD1-N 3.2Å; D209-T211 PolarHBondContact OD1-OG1 3Å; T211-R213 PolarHBondContact O-N 3.28Å; T211-Q214 VanDerWaalsContact O-CG 3.31Å; T211-Q214 WeakPolarHBondContact O-CG 3.22Å; T211-Q214 PolarHBondContact O-NE2 2.9Å; T211-M236 WeakPolarHBondContact O-CE 3.42Å |
| 212 | Y | 90.3 | Very high | 83.2 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -81.1 | 5.6 | 173.4 | -51.8 | -42.4 | 0 | 0 | 0 | 113 | K188 V189 F190 A191 T208 D209 Q210 F216 M236 E240 | K188-Y212 HydrophobicContact CB-CD2 4.23Å; K188-Y212 HydrophobicContact CB-CE2 3.8Å; K188-Y212 HydrophobicContact CG-CD2 4.5Å; K188-Y212 HydrophobicContact CG-CE1 4.46Å; K188-Y212 HydrophobicContact CG-CE2 3.59Å; K188-Y212 WeakPolarHBondContact CG-OH 3.36Å; V189-Y212 WeakPolarHBondContact O-CB 3.42Å; F190-Y212 HydrophobicContact CD1-CD1 4.05Å; F190-Y212 HydrophobicContact CD1-CG 4.27Å; F190-Y212 AromaticContact CE1-CD1 3.45Å; F190-Y212 HydrophobicContact CE1-CD1 3.45Å; F190-Y212 VanDerWaalsContact CE1-CD1 3.45Å; F190-Y212 HydrophobicContact CE1-CE1 4.33Å; F190-Y212 HydrophobicContact CE1-CG 4.12Å; F190-Y212 HydrophobicContact CE2-CD1 4.18Å; F190-Y212 AromaticContact CZ-CD1 3.52Å; F190-Y212 HydrophobicContact CZ-CD1 3.52Å; F190-Y212 AromaticContact CZ-CE1 4Å; F190-Y212 HydrophobicContact CZ-CE1 4Å; F190-Y212 HydrophobicContact CZ-CG 4.35Å; A191-Y212 PolarHBondContact N-O 2.58Å; T208-Y212 VanDerWaalsContact OG1-CD2 3.3Å; T208-Y212 WeakPolarHBondContact OG1-CD2 3.33Å; D209-Y212 HydrophobicContact CB-CD2 3.5Å; D209-Y212 VanDerWaalsContact CB-CD2 3.5Å; D209-Y212 HydrophobicContact CB-CE2 3.57Å; D209-Y212 HydrophobicContact CB-CG 4.28Å; D209-Y212 PolarHBondContact O-N 3Å; Q210-Y212 VanDerWaalsContact C-N 3.28Å; Q210-Y212 PolarHBondContact O-N 3.26Å; Y212-F216 WeakPolarHBondContact O-CD2 3.47Å; Y212-M236 HydrophobicContact CD1-CE 3.67Å; Y212-M236 HydrophobicContact CE1-CE 3.84Å; Y212-E240 WeakPolarHBondContact CE1-OE1 3.34Å; Y212-E240 PolarHBondContact OH-OE1 2.95Å; Y212-E240 PolarHBondContact OH-OE2 2.69Å |
| 213 | R | 87.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -130.8 | 40.5 | 176 | -171.5 | 36.4 | -170.3 | 73.1 | -13.4 | 114.2 | A191 D200 L203 A207 Q210 T211 N215 | A191-R213 VanDerWaalsContact O-CD 3.3Å; A191-R213 WeakPolarHBondContact O-CD 3.46Å; D200-R213 IonicContact OD1-CZ 2.68Å; D200-R213 IonicContact OD1-NH1 3.09Å; D200-R213 IonicContact OD1-NH2 3.75Å; D200-R213 PolarHBondContact OD1-NH2 3.31Å; L203-R213 HydrophobicContact CB-CG 4.46Å; L203-R213 VanDerWaalsContact CD1-NH2 3.35Å; A207-R213 HydrophobicContact CB-CB 3.74Å; Q210-R213 PolarHBondContact O-N 3.48Å; Q210-R213 VanDerWaalsContact O-N 3.11Å; T211-R213 PolarHBondContact O-N 3.28Å; R213-N215 PolarHBondContact NH1-OD1 2.86Å; R213-N215 PolarHBondContact O-N 3.49Å |
| 214 | Q | 80.8 | Confident | 82.4 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.3 | 51.6 | 177.2 | -70.3 | 168.8 | 52.6 | 0 | 0 | 114.8 | T211 F216 M236 | T211-Q214 VanDerWaalsContact O-CG 3.31Å; T211-Q214 WeakPolarHBondContact O-CG 3.22Å; T211-Q214 PolarHBondContact O-NE2 2.9Å; Q214-F216 HydrophobicContact CB-CD1 4.5Å; Q214-F216 HydrophobicContact CB-CE1 3.96Å; Q214-F216 HydrophobicContact CB-CE2 4.13Å; Q214-F216 HydrophobicContact CB-CZ 3.76Å; Q214-F216 HydrophobicContact CG-CZ 4.36Å; Q214-F216 PolarHBondContact O-N 3.34Å; Q214-F216 VanDerWaalsContact O-N 3.17Å; Q214-M236 PolarHBondContact NE2-SD 2.94Å |
| 215 | N | 79.5 | Confident | 82.2 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 51.7 | 36.4 | -175.8 | -63.3 | -19.4 | 0 | 0 | 0 | 113.1 | R213 T217 | R213-N215 PolarHBondContact NH1-OD1 2.86Å; R213-N215 PolarHBondContact O-N 3.49Å; N215-T217 PolarHBondContact O-N 2.73Å |
| 216 | F | 89.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | trans | -61.8 | 123.6 | 173.8 | -62.4 | -46.2 | 0 | 0 | 0 | 109.7 | F190 V192 A193 Y212 Q214 T229 T232 I233 M236 | F190-F216 HydrophobicContact CD1-CD2 4.28Å; F190-F216 AromaticContact CD1-CE2 3.78Å; F190-F216 HydrophobicContact CD1-CE2 3.78Å; F190-F216 HydrophobicContact CE1-CE2 4.09Å; V192-F216 HydrophobicContact CB-CB 4.48Å; V192-F216 HydrophobicContact CG1-CB 4.4Å; V192-F216 HydrophobicContact CG2-CB 4.1Å; A193-F216 PolarHBondContact N-O 3.49Å; Y212-F216 WeakPolarHBondContact O-CD2 3.47Å; Q214-F216 HydrophobicContact CB-CD1 4.5Å; Q214-F216 HydrophobicContact CB-CE1 3.96Å; Q214-F216 HydrophobicContact CB-CE2 4.13Å; Q214-F216 HydrophobicContact CB-CZ 3.76Å; Q214-F216 HydrophobicContact CG-CZ 4.36Å; Q214-F216 PolarHBondContact O-N 3.34Å; Q214-F216 VanDerWaalsContact O-N 3.17Å; F216-T229 HydrophobicContact CB-CG2 3.75Å; F216-T229 HydrophobicContact CD1-CG2 3.97Å; F216-T229 HydrophobicContact CG-CG2 4.19Å; F216-T232 HydrophobicContact CE1-CG2 3.82Å; F216-T232 HydrophobicContact CZ-CG2 4.27Å; F216-I233 HydrophobicContact CB-CD1 4.41Å; F216-I233 HydrophobicContact CD1-CD1 4.29Å; F216-I233 HydrophobicContact CD1-CG1 4.11Å; F216-I233 HydrophobicContact CD2-CD1 4.15Å; F216-I233 HydrophobicContact CD2-CG1 4.14Å; F216-I233 HydrophobicContact CE1-CG1 3.97Å; F216-I233 HydrophobicContact CE2-CG1 4Å; F216-I233 HydrophobicContact CG-CD1 4.04Å; F216-I233 HydrophobicContact CG-CG1 4.2Å; F216-I233 HydrophobicContact CZ-CG1 3.91Å; F216-M236 HydrophobicContact CZ-SD 3.9Å | ||
| 217 | T | 87.2 | Confident | 82.1 | Confident | 30 Ų | 30 | 59 Ų | 59 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -135.3 | 141.8 | -178.7 | -173 | 0 | 0 | 0 | 0 | 111.5 | A193 N215 A219 T229 | A193-T217 CarbonylContact O-C 3.52Å; A193-T217 WeakPolarHBondContact O-CA 3.42Å; A193-T217 PolarHBondContact O-OG1 2.6Å; N215-T217 PolarHBondContact O-N 2.73Å; T217-A219 VanDerWaalsContact OG1-CB 3.32Å; T217-A219 WeakPolarHBondContact OG1-CB 3.49Å; T217-A219 PolarHBondContact OG1-N 3.23Å; T217-A219 VanDerWaalsContact OG1-N 3.1Å; T217-T229 PolarHBondContact O-OG1 2.7Å; T217-T229 VanDerWaalsContact O-OG1 3.08Å |
| 218 | A | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -107.1 | -1.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F68 V192 A193 I194 K226 | F68-A218 HydrophobicContact CB-CB 4.08Å; F68-A218 HydrophobicContact CD1-CB 4.14Å; F68-A218 HydrophobicContact CD2-CB 3.49Å; F68-A218 VanDerWaalsContact CD2-CB 3.49Å; F68-A218 HydrophobicContact CE1-CB 4.49Å; F68-A218 HydrophobicContact CE2-CB 3.9Å; F68-A218 HydrophobicContact CG-CB 3.63Å; F68-A218 HydrophobicContact CZ-CB 4.39Å; V192-A218 HydrophobicContact CG1-CB 4.01Å; A193-A218 PolarHBondContact O-N 2.94Å; I194-A218 HydrophobicContact CD1-CB 3.65Å; A218-K226 WeakPolarHBondContact O-CE 3.26Å; A218-K226 PolarHBondContact O-NZ 3.43Å; A218-K226 VanDerWaalsContact O-NZ 3.12Å |
| 219 | A | 74.1 | Confident | 82.1 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | trans | -79.7 | -32.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I194 T217 E221 | I194-A219 VanDerWaalsContact C-CB 3.46Å; I194-A219 WeakPolarHBondContact O-CA 3.22Å; I194-A219 WeakPolarHBondContact O-CB 3.32Å; T217-A219 VanDerWaalsContact OG1-CB 3.32Å; T217-A219 WeakPolarHBondContact OG1-CB 3.49Å; T217-A219 PolarHBondContact OG1-N 3.23Å; T217-A219 VanDerWaalsContact OG1-N 3.1Å; A219-E221 PolarHBondContact O-N 2.99Å | ||
| 220 | D | 71.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | trans | -67.2 | 128.7 | -176.1 | 175.9 | 2.7 | 0 | 0 | 0 | 111.4 | T222 T225 K226 | D220-T222 PolarHBondContact O-N 3.43Å; D220-T222 PolarHBondContact OD1-N 3.49Å; D220-T225 VanDerWaalsContact OD2-CB 3.22Å; D220-T225 WeakPolarHBondContact OD2-CB 3.21Å; D220-T225 WeakPolarHBondContact OD2-CG2 3.35Å; D220-T225 PolarHBondContact OD2-OG1 3.05Å; D220-K226 WeakPolarHBondContact O-CE 3.25Å | ||
| 221 | E | 65.3 | Low | 83 | Confident | 162 Ų | 162 | 60.4 Ų | 60.4 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -61.1 | -25.2 | -177.5 | -61.8 | -168.4 | 156.6 | 0 | 0 | 113.4 | A219 R223 | A219-E221 PolarHBondContact O-N 2.99Å; E221-R223 PolarHBondContact O-N 2.97Å |
| 222 | T | 71.9 | Confident | 83.4 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | trans | -72.9 | 120.7 | -176.9 | 82.4 | 0 | 0 | 0 | 0 | 111.9 | D220 S224 T225 K226 | D220-T222 PolarHBondContact O-N 3.43Å; D220-T222 PolarHBondContact OD1-N 3.49Å; T222-S224 WeakPolarHBondContact CB-OG 3.43Å; T222-S224 PolarHBondContact O-N 2.85Å; T222-S224 PolarHBondContact OG1-OG 3.39Å; T222-T225 PolarHBondContact O-N 2.87Å; T222-T225 PolarHBondContact O-OG1 3.16Å; T222-T225 PolarHBondContact OG1-N 3.48Å; T222-T225 PolarHBondContact OG1-OG1 3.35Å; T222-K226 PolarHBondContact O-N 3.03Å | ||
| 223 | R | 74.1 | Confident | 83.6 | Confident | 176 Ų | 176 | 58.2 Ų | 58.2 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -52 | -30.7 | 174.9 | 178.3 | 173.1 | 179.8 | -171.4 | 1.3 | 112.5 | E221 M227 | E221-R223 PolarHBondContact O-N 2.97Å; R223-M227 HydrophobicContact CG-CG 4.22Å; R223-M227 WeakPolarHBondContact O-CB 3.14Å; R223-M227 WeakPolarHBondContact O-CG 3.42Å; R223-M227 PolarHBondContact O-N 3.49Å; R223-M227 VanDerWaalsContact O-N 3.13Å |
| 224 | S | 75.7 | Confident | 83.9 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 175.8 | 29.5 | 0 | 0 | 0 | 0 | 114.1 | T222 K228 | T222-S224 WeakPolarHBondContact CB-OG 3.43Å; T222-S224 PolarHBondContact O-N 2.85Å; T222-S224 PolarHBondContact OG1-OG 3.39Å; S224-K228 WeakPolarHBondContact O-CB 3.39Å; S224-K228 PolarHBondContact O-N 2.96Å |
| 225 | T | 80.6 | Confident | 84.5 | Confident | 42 Ų | 42 | 58.5 Ų | 58.5 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79 | -39.8 | -175.5 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | D220 T222 M227 K228 T229 | D220-T225 VanDerWaalsContact OD2-CB 3.22Å; D220-T225 WeakPolarHBondContact OD2-CB 3.21Å; D220-T225 WeakPolarHBondContact OD2-CG2 3.35Å; D220-T225 PolarHBondContact OD2-OG1 3.05Å; T222-T225 PolarHBondContact O-N 2.87Å; T222-T225 PolarHBondContact O-OG1 3.16Å; T222-T225 PolarHBondContact OG1-N 3.48Å; T222-T225 PolarHBondContact OG1-OG1 3.35Å; T225-M227 VanDerWaalsContact C-N 3.31Å; T225-M227 PolarHBondContact O-N 2.84Å; T225-K228 WeakPolarHBondContact O-CA 3.4Å; T225-K228 WeakPolarHBondContact O-CB 3.32Å; T225-K228 PolarHBondContact O-N 3.02Å; T225-T229 PolarHBondContact O-N 3.38Å; T225-T229 PolarHBondContact O-OG1 3.24Å |
| 226 | K | 84.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.022 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.7 | -46.4 | 169.7 | -59.2 | -166.5 | -172.2 | -161.2 | 0 | 112.1 | F68 A218 D220 T222 K228 T229 I230 | F68-K226 HydrophobicContact CD2-CB 4.45Å; A218-K226 WeakPolarHBondContact O-CE 3.26Å; A218-K226 PolarHBondContact O-NZ 3.43Å; A218-K226 VanDerWaalsContact O-NZ 3.12Å; D220-K226 WeakPolarHBondContact O-CE 3.25Å; T222-K226 PolarHBondContact O-N 3.03Å; K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.6Å; K226-T229 PolarHBondContact O-N 3.31Å; K226-I230 WeakPolarHBondContact O-CG1 3.33Å; K226-I230 PolarHBondContact O-N 2.97Å |
| 227 | M | 89.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -30.3 | 176.3 | -69.9 | -60.4 | -53.1 | 0 | 0 | 113 | R71 E75 R223 T225 I230 R231 | R71-M227 HydrophobicContact CB-SD 4.36Å; E75-M227 HydrophobicContact CG-CE 3.58Å; E75-M227 WeakPolarHBondContact OE2-CE 3.38Å; R223-M227 HydrophobicContact CG-CG 4.22Å; R223-M227 WeakPolarHBondContact O-CB 3.14Å; R223-M227 WeakPolarHBondContact O-CG 3.42Å; R223-M227 PolarHBondContact O-N 3.49Å; R223-M227 VanDerWaalsContact O-N 3.13Å; T225-M227 VanDerWaalsContact C-N 3.31Å; T225-M227 PolarHBondContact O-N 2.84Å; M227-I230 HydrophobicContact SD-CD1 4.2Å; M227-R231 WeakPolarHBondContact O-CB 3.28Å; M227-R231 VanDerWaalsContact O-CG 3.29Å; M227-R231 WeakPolarHBondContact O-CG 3.4Å; M227-R231 PolarHBondContact O-N 3.13Å; M227-R231 VanDerWaalsContact O-N 3.07Å |
| 228 | K | 89.4 | Confident | 85.4 | Confident | 144 Ų | 144 | 53.6 Ų | 53.6 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.1 | -49.6 | 172.2 | -172.7 | -172 | 176.3 | -168.5 | 0 | 110.4 | S224 T225 K226 I230 R231 T232 | S224-K228 WeakPolarHBondContact O-CB 3.39Å; S224-K228 PolarHBondContact O-N 2.96Å; T225-K228 WeakPolarHBondContact O-CA 3.4Å; T225-K228 WeakPolarHBondContact O-CB 3.32Å; T225-K228 PolarHBondContact O-N 3.02Å; K226-K228 VanDerWaalsContact C-N 3.33Å; K226-K228 PolarHBondContact O-N 2.6Å; K228-I230 PolarHBondContact O-N 3.01Å; K228-R231 PolarHBondContact O-N 2.85Å; K228-T232 PolarHBondContact O-N 3.18Å; K228-T232 PolarHBondContact O-OG1 2.97Å; K228-T232 VanDerWaalsContact O-OG1 3.08Å |
| 229 | T | 91.8 | Very high | 85.5 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.3 | -51.8 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | F68 V192 F216 T217 T225 K226 R231 T232 I233 | F68-T229 HydrophobicContact CE2-CG2 4.17Å; F68-T229 HydrophobicContact CZ-CG2 4.12Å; V192-T229 HydrophobicContact CG1-CG2 4.33Å; F216-T229 HydrophobicContact CB-CG2 3.75Å; F216-T229 HydrophobicContact CD1-CG2 3.97Å; F216-T229 HydrophobicContact CG-CG2 4.19Å; T217-T229 PolarHBondContact O-OG1 2.7Å; T217-T229 VanDerWaalsContact O-OG1 3.08Å; T225-T229 PolarHBondContact O-N 3.38Å; T225-T229 PolarHBondContact O-OG1 3.24Å; K226-T229 PolarHBondContact O-N 3.31Å; T229-R231 PolarHBondContact O-N 3.36Å; T229-T232 PolarHBondContact O-N 3.35Å; T229-I233 HydrophobicContact CG2-CD1 3.93Å; T229-I233 WeakPolarHBondContact O-CG1 3.26Å; T229-I233 PolarHBondContact O-N 3.36Å; T229-I233 VanDerWaalsContact O-N 3.07Å |
| 230 | I | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.9 | -50.8 | 177.8 | -70.1 | 163.3 | 0 | 0 | 0 | 111 | F68 R71 F72 E75 K226 M227 K228 I233 I234 | F68-I230 HydrophobicContact CD2-CD1 4.14Å; F68-I230 HydrophobicContact CD2-CG1 4.21Å; F68-I230 HydrophobicContact CE2-CD1 4.06Å; F68-I230 HydrophobicContact CE2-CG1 3.63Å; F68-I230 HydrophobicContact CZ-CG1 3.9Å; R71-I230 HydrophobicContact CB-CD1 3.79Å; F72-I230 HydrophobicContact CB-CD1 4.38Å; F72-I230 HydrophobicContact CB-CG1 4.18Å; F72-I230 HydrophobicContact CB-CG2 4.32Å; F72-I230 HydrophobicContact CD1-CG2 4.3Å; F72-I230 HydrophobicContact CD2-CB 4.36Å; F72-I230 HydrophobicContact CD2-CG1 3.84Å; F72-I230 HydrophobicContact CD2-CG2 4.25Å; F72-I230 HydrophobicContact CG-CG1 4.18Å; F72-I230 HydrophobicContact CG-CG2 4.03Å; E75-I230 HydrophobicContact CB-CG2 3.96Å; E75-I230 HydrophobicContact CG-CG2 3.99Å; K226-I230 WeakPolarHBondContact O-CG1 3.33Å; K226-I230 PolarHBondContact O-N 2.97Å; M227-I230 HydrophobicContact SD-CD1 4.2Å; K228-I230 PolarHBondContact O-N 3.01Å; I230-I233 PolarHBondContact O-N 3.37Å; I230-I234 HydrophobicContact CG2-CD1 3.79Å; I230-I234 WeakPolarHBondContact O-CG1 3.48Å; I230-I234 PolarHBondContact O-N 3.28Å |
| 231 | R | 93.7 | Very high | 86.8 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 48% | 0.475 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | -178.3 | -73.6 | 173.1 | -175.9 | 164.8 | 1.1 | 112.6 | E75 M227 K228 T229 I233 I234 D235 | E75-R231 IonicContact OE2-CZ 2.65Å; E75-R231 VanDerWaalsContact OE2-CZ 3.31Å; E75-R231 IonicContact OE2-NE 2.85Å; E75-R231 PolarHBondContact OE2-NE 2.9Å; E75-R231 IonicContact OE2-NH2 3.43Å; E75-R231 PolarHBondContact OE2-NH2 3.19Å; M227-R231 WeakPolarHBondContact O-CB 3.28Å; M227-R231 VanDerWaalsContact O-CG 3.29Å; M227-R231 WeakPolarHBondContact O-CG 3.4Å; M227-R231 PolarHBondContact O-N 3.13Å; M227-R231 VanDerWaalsContact O-N 3.07Å; K228-R231 PolarHBondContact O-N 2.85Å; T229-R231 PolarHBondContact O-N 3.36Å; R231-I233 VanDerWaalsContact C-N 3.31Å; R231-I233 PolarHBondContact O-N 2.84Å; R231-I234 CarbonylContact O-C 3.52Å; R231-I234 PolarHBondContact O-N 3.45Å; R231-D235 VanDerWaalsContact O-CB 3.31Å; R231-D235 WeakPolarHBondContact O-CB 3.42Å; R231-D235 PolarHBondContact O-N 3.44Å |
| 232 | T | 94.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 53 Ų | 53 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | F216 K228 T229 D235 M236 | F216-T232 HydrophobicContact CE1-CG2 3.82Å; F216-T232 HydrophobicContact CZ-CG2 4.27Å; K228-T232 PolarHBondContact O-N 3.18Å; K228-T232 PolarHBondContact O-OG1 2.97Å; K228-T232 VanDerWaalsContact O-OG1 3.08Å; T229-T232 PolarHBondContact O-N 3.35Å; T232-D235 PolarHBondContact O-N 2.82Å; T232-M236 WeakPolarHBondContact O-CB 3.1Å; T232-M236 VanDerWaalsContact O-CG 3.28Å; T232-M236 WeakPolarHBondContact O-CG 3.3Å; T232-M236 PolarHBondContact O-N 2.85Å |
| 233 | I | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 175.5 | -63.3 | 167.4 | 0 | 0 | 0 | 110.7 | F72 F190 V192 F216 T229 I230 R231 M236 I237 | F72-I233 HydrophobicContact CE2-CB 4.19Å; F72-I233 HydrophobicContact CE2-CD1 4.09Å; F72-I233 HydrophobicContact CE2-CG2 4.1Å; F72-I233 HydrophobicContact CZ-CB 3.98Å; F72-I233 HydrophobicContact CZ-CG2 3.63Å; F190-I233 HydrophobicContact CD1-CD1 4.49Å; F190-I233 HydrophobicContact CD1-CG1 4.03Å; F190-I233 HydrophobicContact CD1-CG2 3.85Å; F190-I233 HydrophobicContact CD2-CG2 3.96Å; F190-I233 HydrophobicContact CE1-CB 4.38Å; F190-I233 HydrophobicContact CE1-CG1 4.21Å; F190-I233 HydrophobicContact CE1-CG2 3.8Å; F190-I233 HydrophobicContact CE2-CG2 3.9Å; F190-I233 HydrophobicContact CG-CG2 3.93Å; F190-I233 HydrophobicContact CZ-CG2 3.84Å; V192-I233 HydrophobicContact CG2-CD1 3.83Å; F216-I233 HydrophobicContact CB-CD1 4.41Å; F216-I233 HydrophobicContact CD1-CD1 4.29Å; F216-I233 HydrophobicContact CD1-CG1 4.11Å; F216-I233 HydrophobicContact CD2-CD1 4.15Å; F216-I233 HydrophobicContact CD2-CG1 4.14Å; F216-I233 HydrophobicContact CE1-CG1 3.97Å; F216-I233 HydrophobicContact CE2-CG1 4Å; F216-I233 HydrophobicContact CG-CD1 4.04Å; F216-I233 HydrophobicContact CG-CG1 4.2Å; F216-I233 HydrophobicContact CZ-CG1 3.91Å; T229-I233 HydrophobicContact CG2-CD1 3.93Å; T229-I233 WeakPolarHBondContact O-CG1 3.26Å; T229-I233 PolarHBondContact O-N 3.36Å; T229-I233 VanDerWaalsContact O-N 3.07Å; I230-I233 PolarHBondContact O-N 3.37Å; R231-I233 VanDerWaalsContact C-N 3.31Å; R231-I233 PolarHBondContact O-N 2.84Å; I233-M236 PolarHBondContact O-N 2.99Å; I233-I237 HydrophobicContact CG2-CD1 3.89Å; I233-I237 VanDerWaalsContact O-CG1 3.29Å; I233-I237 WeakPolarHBondContact O-CG1 2.99Å; I233-I237 PolarHBondContact O-N 2.88Å |
| 234 | I | 94.8 | Very high | 87.7 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.1 | -67.8 | 170.8 | 0 | 0 | 0 | 111.6 | F72 E75 L76 W89 I230 R231 M236 I237 T238 | F72-I234 HydrophobicContact CD1-CD1 4.1Å; F72-I234 HydrophobicContact CD1-CG1 4.33Å; F72-I234 HydrophobicContact CE1-CD1 3.86Å; F72-I234 HydrophobicContact CE1-CG1 3.58Å; F72-I234 HydrophobicContact CZ-CG1 4.07Å; E75-I234 HydrophobicContact CB-CD1 3.57Å; L76-I234 HydrophobicContact CD2-CD1 4.09Å; L76-I234 HydrophobicContact CD2-CG1 4.26Å; W89-I234 HydrophobicContact CH2-CG2 4.46Å; W89-I234 HydrophobicContact CZ2-CG2 4.09Å; I230-I234 HydrophobicContact CG2-CD1 3.79Å; I230-I234 WeakPolarHBondContact O-CG1 3.48Å; I230-I234 PolarHBondContact O-N 3.28Å; R231-I234 CarbonylContact O-C 3.52Å; R231-I234 PolarHBondContact O-N 3.45Å; I234-M236 VanDerWaalsContact C-N 3.34Å; I234-M236 PolarHBondContact O-N 2.84Å; I234-I237 PolarHBondContact O-N 3.42Å; I234-T238 HydrophobicContact CG2-CG2 4.1Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 VanDerWaalsContact O-CG2 3.25Å; I234-T238 WeakPolarHBondContact O-CG2 3.1Å; I234-T238 PolarHBondContact O-N 2.98Å; I234-T238 PolarHBondContact O-OG1 3.27Å |
| 235 | D | 92.4 | Very high | 87.7 | Confident | 100 Ų | 100 | 44.9 Ų | 44.9 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 177.5 | -69.2 | -24.9 | 0 | 0 | 0 | 111.1 | R231 T232 T238 N239 | R231-D235 VanDerWaalsContact O-CB 3.31Å; R231-D235 WeakPolarHBondContact O-CB 3.42Å; R231-D235 PolarHBondContact O-N 3.44Å; T232-D235 PolarHBondContact O-N 2.82Å; D235-T238 WeakPolarHBondContact CA-OG1 3Å; D235-T238 PolarHBondContact O-OG1 3.06Å; D235-N239 WeakPolarHBondContact O-CB 3.32Å; D235-N239 PolarHBondContact O-N 3.16Å |
| 236 | M | 92.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -53.3 | 172.7 | -75.7 | 179.8 | 67.9 | 0 | 0 | 111.7 | F190 T211 Y212 Q214 F216 T232 I233 I234 T238 N239 E240 | F190-M236 HydrophobicContact CE1-CE 4.09Å; F190-M236 HydrophobicContact CE1-SD 4.11Å; F190-M236 HydrophobicContact CZ-CB 4.31Å; F190-M236 HydrophobicContact CZ-CE 4.45Å; T211-M236 WeakPolarHBondContact O-CE 3.42Å; Y212-M236 HydrophobicContact CD1-CE 3.67Å; Y212-M236 HydrophobicContact CE1-CE 3.84Å; Q214-M236 PolarHBondContact NE2-SD 2.94Å; F216-M236 HydrophobicContact CZ-SD 3.9Å; T232-M236 WeakPolarHBondContact O-CB 3.1Å; T232-M236 VanDerWaalsContact O-CG 3.28Å; T232-M236 WeakPolarHBondContact O-CG 3.3Å; T232-M236 PolarHBondContact O-N 2.85Å; I233-M236 PolarHBondContact O-N 2.99Å; I234-M236 VanDerWaalsContact C-N 3.34Å; I234-M236 PolarHBondContact O-N 2.84Å; M236-T238 PolarHBondContact O-N 2.85Å; M236-N239 PolarHBondContact O-N 3.42Å; M236-E240 WeakPolarHBondContact O-CG 3.19Å; M236-E240 PolarHBondContact O-N 3.35Å |
| 237 | I | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -51.8 | 178.8 | -68 | 167.8 | 0 | 0 | 0 | 110.1 | V39 L41 W89 Y155 F190 I233 I234 N239 E240 T241 | V39-I237 HydrophobicContact CG1-CG2 3.74Å; L41-I237 HydrophobicContact CD1-CD1 4Å; W89-I237 HydrophobicContact CH2-CB 4.12Å; W89-I237 HydrophobicContact CH2-CD1 4.39Å; W89-I237 HydrophobicContact CH2-CG2 3.54Å; W89-I237 HydrophobicContact CZ3-CD1 4.41Å; W89-I237 HydrophobicContact CZ3-CG2 3.86Å; Y155-I237 HydrophobicContact CD1-CD1 4.16Å; Y155-I237 HydrophobicContact CD1-CG1 3.74Å; Y155-I237 HydrophobicContact CD2-CG1 4.42Å; Y155-I237 HydrophobicContact CD2-CG2 3.91Å; Y155-I237 HydrophobicContact CE1-CB 4.43Å; Y155-I237 HydrophobicContact CE1-CG1 3.78Å; Y155-I237 HydrophobicContact CE1-CG2 4.36Å; Y155-I237 HydrophobicContact CE2-CG1 4.47Å; Y155-I237 HydrophobicContact CE2-CG2 3.63Å; Y155-I237 HydrophobicContact CG-CD1 4.13Å; Y155-I237 HydrophobicContact CG-CG1 4.06Å; Y155-I237 HydrophobicContact CG-CG2 4.4Å; F190-I237 HydrophobicContact CE2-CD1 3.92Å; F190-I237 HydrophobicContact CE2-CG1 3.72Å; F190-I237 HydrophobicContact CZ-CD1 4.49Å; F190-I237 HydrophobicContact CZ-CG1 3.99Å; I233-I237 HydrophobicContact CG2-CD1 3.89Å; I233-I237 VanDerWaalsContact O-CG1 3.29Å; I233-I237 WeakPolarHBondContact O-CG1 2.99Å; I233-I237 PolarHBondContact O-N 2.88Å; I234-I237 PolarHBondContact O-N 3.42Å; I237-N239 VanDerWaalsContact C-N 3.28Å; I237-N239 PolarHBondContact O-N 2.97Å; I237-E240 PolarHBondContact O-N 2.96Å; I237-T241 HydrophobicContact CG2-CG2 4.13Å; I237-T241 WeakPolarHBondContact O-CB 3.35Å; I237-T241 VanDerWaalsContact O-CG2 3.25Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.84Å; I237-T241 PolarHBondContact O-OG1 2.86Å |
| 238 | T | 89.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.8 | -25.7 | -177.1 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | M79 L87 W89 I234 D235 M236 T241 K242 | M79-T238 HydrophobicContact CE-CG2 4.02Å; L87-T238 HydrophobicContact CD1-CG2 3.94Å; W89-T238 HydrophobicContact CH2-CG2 4.34Å; W89-T238 HydrophobicContact CZ2-CG2 3.77Å; I234-T238 HydrophobicContact CG2-CG2 4.1Å; I234-T238 WeakPolarHBondContact O-CB 3.49Å; I234-T238 VanDerWaalsContact O-CG2 3.25Å; I234-T238 WeakPolarHBondContact O-CG2 3.1Å; I234-T238 PolarHBondContact O-N 2.98Å; I234-T238 PolarHBondContact O-OG1 3.27Å; D235-T238 WeakPolarHBondContact CA-OG1 3Å; D235-T238 PolarHBondContact O-OG1 3.06Å; M236-T238 PolarHBondContact O-N 2.85Å; T238-T241 WeakPolarHBondContact CA-OG1 3.44Å; T238-T241 PolarHBondContact O-OG1 2.9Å; T238-K242 WeakPolarHBondContact O-CB 3.28Å; T238-K242 PolarHBondContact O-N 2.91Å |
| 239 | N | 87.9 | Confident | 82.1 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.9 | -38 | 174.5 | -172.5 | 64.8 | 0 | 0 | 0 | 112.3 | D235 M236 I237 K242 | D235-N239 WeakPolarHBondContact O-CB 3.32Å; D235-N239 PolarHBondContact O-N 3.16Å; M236-N239 PolarHBondContact O-N 3.42Å; I237-N239 VanDerWaalsContact C-N 3.28Å; I237-N239 PolarHBondContact O-N 2.97Å; N239-K242 WeakPolarHBondContact O-CB 3.15Å; N239-K242 PolarHBondContact O-N 3.03Å |
| 240 | E | 87.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 58 Ų | 58 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 172 | -72.2 | 178.2 | 178.3 | 0 | 0 | 111.5 | Y155 Y212 M236 I237 K242 D243 | Y155-E240 WeakPolarHBondContact CE1-OE2 3.34Å; Y155-E240 PolarHBondContact OH-OE2 3.49Å; Y212-E240 WeakPolarHBondContact CE1-OE1 3.34Å; Y212-E240 PolarHBondContact OH-OE1 2.95Å; Y212-E240 PolarHBondContact OH-OE2 2.69Å; M236-E240 WeakPolarHBondContact O-CG 3.19Å; M236-E240 PolarHBondContact O-N 3.35Å; I237-E240 PolarHBondContact O-N 2.96Å; E240-K242 PolarHBondContact O-N 2.86Å; E240-D243 PolarHBondContact O-N 2.71Å; E240-D243 VanDerWaalsContact O-N 3.16Å |
| 241 | T | 85.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -23.6 | 179.5 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | V39 L87 N153 Y155 I237 T238 D243 V244 C245 | V39-T241 HydrophobicContact CG1-CG2 4.39Å; V39-T241 HydrophobicContact CG2-CG2 3.76Å; L87-T241 WeakPolarHBondContact CD1-OG1 3.45Å; N153-T241 HydrophobicContact CB-CG2 4.36Å; Y155-T241 HydrophobicContact CE2-CG2 3.87Å; I237-T241 HydrophobicContact CG2-CG2 4.13Å; I237-T241 WeakPolarHBondContact O-CB 3.35Å; I237-T241 VanDerWaalsContact O-CG2 3.25Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.84Å; I237-T241 PolarHBondContact O-OG1 2.86Å; T238-T241 WeakPolarHBondContact CA-OG1 3.44Å; T238-T241 PolarHBondContact O-OG1 2.9Å; T241-D243 VanDerWaalsContact C-N 3.3Å; T241-D243 PolarHBondContact O-N 2.88Å; T241-V244 PolarHBondContact O-N 2.93Å; T241-C245 WeakPolarHBondContact O-CB 3.47Å; T241-C245 PolarHBondContact O-N 3.32Å; T241-C245 PolarHBondContact O-SG 2.7Å |
| 242 | K | 81.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 33% | 0.326 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 173.9 | -178.1 | -170 | 173.2 | -166.8 | 0 | 111.6 | T238 N239 E240 C246 | T238-K242 WeakPolarHBondContact O-CB 3.28Å; T238-K242 PolarHBondContact O-N 2.91Å; N239-K242 WeakPolarHBondContact O-CB 3.15Å; N239-K242 PolarHBondContact O-N 3.03Å; E240-K242 PolarHBondContact O-N 2.86Å; K242-C246 WeakPolarHBondContact O-CB 3.37Å; K242-C246 PolarHBondContact O-N 2.7Å |
| 243 | D | 73.3 | Confident | 71.2 | Confident | 115 Ų | 115 | 65 Ų | 65 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.9 | -37.5 | -177.7 | -71.6 | -19.6 | 0 | 0 | 0 | 110.9 | E240 T241 S247 | E240-D243 PolarHBondContact O-N 2.71Å; E240-D243 VanDerWaalsContact O-N 3.16Å; T241-D243 VanDerWaalsContact C-N 3.3Å; T241-D243 PolarHBondContact O-N 2.88Å; D243-S247 VanDerWaalsContact O-CB 3.25Å; D243-S247 WeakPolarHBondContact O-CB 3.22Å; D243-S247 PolarHBondContact O-N 2.66Å |
| 244 | V | 74.9 | Confident | 68.4 | Low | 36 Ų | 36 | 68.7 Ų | 68.7 | 22% | 0.218 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.2 | -57.2 | 173 | -175.6 | 0 | 0 | 0 | 0 | 111 | E152 T241 C246 S247 | E152-V244 HydrophobicContact CB-CG2 4.32Å; T241-V244 PolarHBondContact O-N 2.93Å; V244-C246 VanDerWaalsContact C-N 3.34Å; V244-C246 PolarHBondContact O-N 2.8Å; V244-S247 PolarHBondContact O-N 3.31Å; V244-S247 PolarHBondContact O-OG 3.43Å |
| 245 | C | 77.1 | Confident | 65.8 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -34.7 | -176.9 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | C37 R85 T241 | C37-C245 HydrophobicContact CB-CB 3.74Å; C37-C245 WeakPolarHBondContact CB-SG 3.44Å; C37-C245 VanDerWaalsContact SG-CA 3.57Å; C37-C245 WeakPolarHBondContact SG-CB 3.11Å; C37-C245 CovalentContact SG-SG 2.02Å; C37-C245 PolarHBondContact SG-SG 3.31Å; R85-C245 WeakPolarHBondContact CD-O 3.34Å; R85-C245 PolarHBondContact NH1-O 3.28Å; R85-C245 VanDerWaalsContact NH1-O 3.09Å; T241-C245 WeakPolarHBondContact O-CB 3.47Å; T241-C245 PolarHBondContact O-N 3.32Å; T241-C245 PolarHBondContact O-SG 2.7Å |
| 246 | C | 74.3 | Confident | 63.3 | Low | 32 Ų | 32 | 72 Ų | 72 | 22% | 0.216 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -99.8 | 0.4 | -180 | -63.4 | 0 | 0 | 0 | 0 | 114.1 | H81 C83 K242 V244 F248 | H81-C246 VanDerWaalsContact CB-SG 3.55Å; C83-C246 HydrophobicContact CB-CB 3.49Å; C83-C246 VanDerWaalsContact CB-CB 3.49Å; C83-C246 WeakPolarHBondContact CB-SG 3.26Å; C83-C246 WeakPolarHBondContact SG-CA 3.02Å; C83-C246 WeakPolarHBondContact SG-CB 3.37Å; C83-C246 CovalentContact SG-SG 2.04Å; C83-C246 PolarHBondContact SG-SG 3.29Å; K242-C246 WeakPolarHBondContact O-CB 3.37Å; K242-C246 PolarHBondContact O-N 2.7Å; V244-C246 VanDerWaalsContact C-N 3.34Å; V244-C246 PolarHBondContact O-N 2.8Å; C246-F248 PolarHBondContact O-N 3.13Å |
| 247 | S | 63.5 | Low | 60.8 | Low | 56 Ų | 56 | 78.4 Ų | 78.4 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -62.5 | 135.4 | 163.6 | 70.5 | 0 | 0 | 0 | 0 | 109 | D243 V244 D249 | D243-S247 VanDerWaalsContact O-CB 3.25Å; D243-S247 WeakPolarHBondContact O-CB 3.22Å; D243-S247 PolarHBondContact O-N 2.66Å; V244-S247 PolarHBondContact O-N 3.31Å; V244-S247 PolarHBondContact O-OG 3.43Å; S247-D249 VanDerWaalsContact C-N 3.28Å; S247-D249 PolarHBondContact O-N 2.98Å |
| 248 | F | 48.4 | Very low | 58.3 | Low | 200 Ų | 200 | 80.7 Ų | 80.7 | 88% | 0.877 | 49% | 0.494 | S | S | * | . | trans | -76.3 | 86.4 | 173.3 | -81.4 | -89.9 | 0 | 0 | 0 | 108.8 | C246 C250 | C246-F248 PolarHBondContact O-N 3.13Å; F248-C250 PolarHBondContact O-N 3.41Å | ||
| 249 | D | 39.7 | Very low | 56.1 | Low | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | trans | -54.5 | 123.6 | 157 | -95.9 | -34 | 0 | 0 | 0 | 108.7 | S247 N251 | S247-D249 VanDerWaalsContact C-N 3.28Å; S247-D249 PolarHBondContact O-N 2.98Å; D249-N251 PolarHBondContact O-N 3.07Å | ||
| 250 | C | 35.4 | Very low | 54.2 | Low | 128 Ų | 128 | 87.2 Ų | 87.2 | 87% | 0.865 | 54% | 0.535 | S | S | * | . | trans | -74.1 | 43.5 | 174.2 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | F248 A252 | F248-C250 PolarHBondContact O-N 3.41Å; C250-A252 VanDerWaalsContact C-N 3.33Å; C250-A252 PolarHBondContact O-N 2.99Å; C250-A252 VanDerWaalsContact O-N 3.1Å | ||
| 251 | N | 40.3 | Very low | 51.9 | Low | 134 Ų | 134 | 88.1 Ų | 88.1 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | trans | -78.9 | 87.2 | 165.4 | -74.9 | -28.6 | 0 | 0 | 0 | 108.2 | D249 | D249-N251 PolarHBondContact O-N 3.07Š| ||
| 252 | A | 32.7 | Very low | 50 | Low | 83 Ų | 83 | 96 Ų | 96 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -57 | 134.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | C250 G254 | C250-A252 VanDerWaalsContact C-N 3.33Å; C250-A252 PolarHBondContact O-N 2.99Å; C250-A252 VanDerWaalsContact O-N 3.1Å; A252-G254 PolarHBondContact O-N 3.32Å |
| 253 | P | 37.1 | Very low | 48.3 | Very low | 100 Ų | 100 | 99.2 Ų | 99.2 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 128.7 | 175.1 | 23.4 | -32.9 | 0 | 0 | 0 | 108.5 | G255 | P253-G255 PolarHBondContact O-N 3.48Å; P253-G255 VanDerWaalsContact O-N 3.12Å |
| 254 | G | 35 | Very low | 46.6 | Very low | 76 Ų | 76 | 97 Ų | 97 | 78% | 0.784 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 121 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A252 | A252-G254 PolarHBondContact O-N 3.32Š|
| 255 | G | 40.2 | Very low | 44.9 | Very low | 60 Ų | 60 | 100 Ų | 100 | 62% | 0.619 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 150.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P253 K257 | P253-G255 PolarHBondContact O-N 3.48Å; P253-G255 VanDerWaalsContact O-N 3.12Å; G255-K257 PolarHBondContact O-N 2.81Å |
| 256 | P | 39.8 | Very low | 43.5 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.4 | -179 | 22.9 | -33.9 | 0 | 0 | 0 | 109.9 | G258 | P256-G258 PolarHBondContact O-N 3.35Š|
| 257 | K | 41.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 111.4 Ų | 111.4 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | -44.2 | 118.3 | -179.8 | -175.5 | -161.9 | 169.1 | -157.2 | 0 | 108.4 | G255 D260 | G255-K257 PolarHBondContact O-N 2.81Å; K257-D260 WeakPolarHBondContact CE-OD1 3.34Å; K257-D260 VanDerWaalsContact NZ-CG 3.35Å; K257-D260 IonicContact NZ-OD1 3.21Å; K257-D260 PolarHBondContact NZ-OD1 2.84Å; K257-D260 IonicContact NZ-OD2 2.96Å; K257-D260 PolarHBondContact NZ-OD2 3.17Å | ||
| 258 | G | 39.1 | Very low | 40.8 | Very low | 48 Ų | 48 | 118 Ų | 118 | 50% | 0.495 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -54 | 149.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P256 D260 | P256-G258 PolarHBondContact O-N 3.35Å; G258-D260 PolarHBondContact O-N 3.19Å |
| 259 | P | 45.1 | Very low | 40.4 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52 | 137.8 | 175.6 | 23.7 | -33.5 | 0 | 0 | 0 | 109.4 | G261 | P259-G261 PolarHBondContact O-N 2.88Å; P259-G261 VanDerWaalsContact O-N 3.17Å |
| 260 | D | 47.8 | Very low | 40.4 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.4 | -178.5 | -72.9 | -54.7 | 0 | 0 | 0 | 109.3 | K257 G258 | K257-D260 WeakPolarHBondContact CE-OD1 3.34Å; K257-D260 VanDerWaalsContact NZ-CG 3.35Å; K257-D260 IonicContact NZ-OD1 3.21Å; K257-D260 PolarHBondContact NZ-OD1 2.84Å; K257-D260 IonicContact NZ-OD2 2.96Å; K257-D260 PolarHBondContact NZ-OD2 3.17Å; G258-D260 PolarHBondContact O-N 3.19Å |
| 261 | G | 38.6 | Very low | 40.8 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P259 T263 | P259-G261 PolarHBondContact O-N 2.88Å; P259-G261 VanDerWaalsContact O-N 3.17Å; G261-T263 PolarHBondContact O-N 2.86Å |
| 262 | D | 44.3 | Very low | 41.3 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48 | 130.9 | -179.3 | -73 | -49.8 | 0 | 0 | 0 | 111.6 | G264 | D262-G264 PolarHBondContact O-N 3.49Š|
| 263 | T | 46.3 | Very low | 41.6 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -50.1 | 112.6 | 179.9 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | G261 A265 | G261-T263 PolarHBondContact O-N 2.86Å; T263-A265 PolarHBondContact O-N 2.97Å | ||
| 264 | G | 37.6 | Very low | 41.8 | Very low | 67 Ų | 67 | 124.6 Ų | 124.6 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51 | 130.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D262 K266 | D262-G264 PolarHBondContact O-N 3.49Å; G264-K266 PolarHBondContact O-N 3.34Å |
| 265 | A | 40.2 | Very low | 42.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 129.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T263 G267 | T263-A265 PolarHBondContact O-N 2.97Å; A265-G267 PolarHBondContact O-N 2.77Å |
| 266 | K | 46.6 | Very low | 42.9 | Very low | 206 Ų | 206 | 127.6 Ų | 127.6 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 116.1 | 178.6 | -176 | 178.6 | -177.7 | 178.4 | 0 | 109.2 | G264 | G264-K266 PolarHBondContact O-N 3.34Š|
| 267 | G | 39.3 | Very low | 43.2 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 141.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A265 M269 | A265-G267 PolarHBondContact O-N 2.77Å; G267-M269 PolarHBondContact O-N 2.88Å |
| 268 | E | 41.2 | Very low | 43.4 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.4 | 177.5 | -69.9 | -167.5 | 135.5 | 0 | 0 | 110.5 | G270 | E268-G270 PolarHBondContact O-N 3.26Å; E268-G270 VanDerWaalsContact O-N 3.17Å |
| 269 | M | 41.9 | Very low | 43.7 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 119.6 | 176.7 | -170 | -175.5 | -51.5 | 0 | 0 | 108.9 | G267 R271 | G267-M269 PolarHBondContact O-N 2.88Å; M269-R271 PolarHBondContact O-N 3.37Å |
| 270 | G | 39.2 | Very low | 43.6 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 131.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E268 | E268-G270 PolarHBondContact O-N 3.26Å; E268-G270 VanDerWaalsContact O-N 3.17Å |
| 271 | R | 43 | Very low | 43.5 | Very low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.8 | 177.2 | -70.2 | -176.8 | 178.5 | -172.5 | -0.1 | 109 | M269 G273 | M269-R271 PolarHBondContact O-N 3.37Å; R271-G273 PolarHBondContact O-N 3.2Å |
| 272 | P | 50.6 | Low | 43.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131.6 | 173.1 | -26.5 | 34.6 | 0 | 0 | 0 | 110.3 | ||
| 273 | G | 40.4 | Very low | 43.5 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R271 | R271-G273 PolarHBondContact O-N 3.2Š|
| 274 | M | 41.4 | Very low | 43.7 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 135.2 | 169.9 | -77.8 | 178.5 | 153 | 0 | 0 | 109 | G276 | M274-G276 PolarHBondContact O-N 2.95Š|
| 275 | P | 53.4 | Low | 43.8 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 125.8 | 173.9 | -25.1 | 34.3 | 0 | 0 | 0 | 109.8 | ||
| 276 | G | 44.4 | Very low | 43.6 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M274 K278 | M274-G276 PolarHBondContact O-N 2.95Å; G276-K278 PolarHBondContact O-N 3.5Å |
| 277 | E | 45.1 | Very low | 43.3 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.4 | 170.2 | -72.5 | -171.7 | 128.6 | 0 | 0 | 109.3 | G279 | E277-G279 PolarHBondContact O-N 3.49Å; E277-G279 VanDerWaalsContact O-N 3.08Å |
| 278 | K | 46.5 | Very low | 43.1 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -67.8 | 109.5 | -176.1 | -176.5 | -174.3 | -180 | -173.4 | 0 | 108.6 | G276 D280 | G276-K278 PolarHBondContact O-N 3.5Å; K278-D280 PolarHBondContact O-N 2.86Å | ||
| 279 | G | 44.9 | Very low | 42.9 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -56.2 | 137.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | E277 | E277-G279 PolarHBondContact O-N 3.49Å; E277-G279 VanDerWaalsContact O-N 3.08Å | ||
| 280 | D | 44 | Very low | 42.7 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -60.8 | 143.4 | 176.9 | -77.6 | -49.2 | 0 | 0 | 0 | 111.4 | K278 G282 | K278-D280 PolarHBondContact O-N 2.86Å; D280-G282 PolarHBondContact O-N 3.13Å | ||
| 281 | I | 44.3 | Very low | 42.5 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | trans | -68.6 | 115.9 | -169.9 | -65.6 | 170.3 | 0 | 0 | 0 | 110 | ||||
| 282 | G | 42 | Very low | 42.9 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D280 | D280-G282 PolarHBondContact O-N 3.13Š|
| 283 | P | 40.4 | Very low | 42.1 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.8 | -171.5 | 25 | -34.1 | 0 | 0 | 0 | 112.7 | ||
| 284 | V | 51.9 | Low | 42.2 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.2 | 171.7 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | N286 | V284-N286 PolarHBondContact O-N 3.43Š|
| 285 | G | 38.7 | Very low | 41.7 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 286 | N | 35.5 | Very low | 40.9 | Very low | 152 Ų | 152 | 125.5 Ų | 125.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123.5 | 177.4 | -71.1 | -16.1 | 0 | 0 | 0 | 111.3 | V284 | V284-N286 PolarHBondContact O-N 3.43Š|
| 287 | I | 41 | Very low | 40.6 | Very low | 172 Ų | 172 | 125.9 Ų | 125.9 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 116.8 | 161.6 | -71.7 | 176.4 | 0 | 0 | 0 | 108.2 | ||
| 288 | G | 36 | Very low | 40.1 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 58.1 | 99.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | P290 | G288-P290 WeakPolarHBondContact O-CD 3.35Š| ||
| 289 | D | 35.7 | Very low | 39.7 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 138.8 | 162.6 | -68.6 | -49.1 | 0 | 0 | 0 | 112.1 | ||||
| 290 | P | 39.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -133.4 | 128.3 | 138.8 | 12.1 | 9.8 | 0 | 0 | 0 | 113.9 | G288 | G288-P290 WeakPolarHBondContact O-CD 3.35Š| ||
| 291 | G | 34.8 | Very low | 39.7 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 95 | 103.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 292 | P | 51.2 | Low | 39.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -103 | 151.4 | -175.9 | 37.6 | -33.2 | 0 | 0 | 0 | 114.9 | ||||
| 293 | V | 33.7 | Very low | 39.5 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -144.3 | 113.2 | 148 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 294 | G | 40.9 | Very low | 40.1 | Very low | 59 Ų | 59 | 132.9 Ų | 132.9 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | trans | 56.9 | 132 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 295 | Y | 32.9 | Very low | 39.7 | Very low | 236 Ų | 236 | 137 Ų | 137 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | -169.4 | 158.8 | 108.3 | -99.4 | -66.6 | 0 | 0 | 0 | 113.1 | |||||
| 296 | S | 36.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -35.6 | 140.5 | 178.1 | 45 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 297 | G | 38.5 | Very low | 40.6 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 171.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 298 | M | 33.6 | Very low | 40.9 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 97% | 0.966 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 148.5 | -179.2 | -67.4 | -177.1 | 67.5 | 0 | 0 | 113.2 | ||
| 299 | K | 38.6 | Very low | 41.2 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 90% | 0.9 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 138.3 | 175.3 | 179.7 | 179.9 | 177.6 | -179.7 | 0 | 109.7 | ||
| 300 | G | 42.3 | Very low | 41.7 | Very low | 60 Ų | 60 | 143.9 Ų | 143.9 | 62% | 0.619 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 172.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 301 | D | 46.2 | Very low | 42 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | trans | 60.3 | 125.9 | 145.4 | -51.4 | -24.9 | 0 | 0 | 0 | 122.8 | ||||
| 302 | R | 38.2 | Very low | 42.4 | Very low | 249 Ų | 249 | 148.8 Ų | 148.8 | 94% | 0.94 | 84% | 0.836 | S | S | * | * | trans | -152.7 | 134.4 | 130.9 | -152.1 | 168.4 | -174.4 | 169.1 | 2.2 | 113 | ||||
| 303 | G | 44.2 | Very low | 41.8 | Very low | 64 Ų | 64 | 152.6 Ų | 152.6 | 66% | 0.66 | 84% | 0.843 | S | S | * | * | trans | -76 | -173.4 | -180 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 304 | P | 53 | Low | 42.6 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 90% | 0.903 | 84% | 0.844 | S | S | * | * | trans | -80.3 | 164 | -150.2 | 32 | -38.3 | 0 | 0 | 0 | 115.4 | ||||
| 305 | K | 43.6 | Very low | 42.6 | Very low | 212 Ų | 212 | 156.3 Ų | 156.3 | 92% | 0.922 | 85% | 0.851 | S | S | * | * | trans | -127.7 | 127.1 | 170.3 | -167.6 | 174.1 | -175.7 | 177.3 | 0 | 109.7 | ||||
| 306 | G | 42.9 | Very low | 42.9 | Very low | 73 Ų | 73 | 155.8 Ų | 155.8 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | trans | -74.7 | 176.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 307 | E | 50.8 | Low | 43.6 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 97% | 0.967 | 86% | 0.861 | S | S | * | * | trans | -61 | 155.6 | -173.6 | -59.3 | 178.3 | 134.1 | 0 | 0 | 114.1 | ||||
| 308 | K | 47.3 | Very low | 43.8 | Very low | 206 Ų | 206 | 159.9 Ų | 159.9 | 90% | 0.896 | 86% | 0.855 | S | S | * | * | trans | -133.1 | 119.7 | 173.3 | -171.3 | 173.2 | -177 | 175.2 | 0 | 109.4 | ||||
| 309 | G | 42.3 | Very low | 44 | Very low | 74 Ų | 74 | 158.4 Ų | 158.4 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | -67.5 | 171.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 310 | E | 44.8 | Very low | 44.5 | Very low | 204 Ų | 204 | 158.6 Ų | 158.6 | 95% | 0.953 | 85% | 0.851 | S | S | * | * | trans | -61.5 | 154.2 | -171.4 | -58 | -177.8 | 133 | 0 | 0 | 114.5 | ||||
| 311 | R | 47.1 | Very low | 44.3 | Very low | 242 Ų | 242 | 159.5 Ų | 159.5 | 91% | 0.913 | 86% | 0.861 | S | S | * | * | trans | -115.5 | 111.8 | 174.3 | -178.5 | -177.6 | -68.1 | -178.9 | -1.7 | 110.2 | ||||
| 312 | G | 42.2 | Very low | 44.1 | Very low | 66 Ų | 66 | 161 Ų | 161 | 68% | 0.68 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -64 | 163.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 313 | H | 39.1 | Very low | 44.5 | Very low | 202 Ų | 202 | 160.7 Ų | 160.7 | 94% | 0.935 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -69 | 158 | -164.9 | -62.4 | -93.5 | 0 | 0 | 0 | 115.9 | ||
| 314 | K | 49.2 | Very low | 44.4 | Very low | 214 Ų | 214 | 161 Ų | 161 | 93% | 0.93 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 136.8 | 172.5 | -152.1 | 175.9 | -172.1 | -179.1 | 0 | 110 | ||
| 315 | G | 41.9 | Very low | 43.8 | Very low | 73 Ų | 73 | 162.9 Ų | 162.9 | 75% | 0.753 | 87% | 0.866 | S | S | * | * | trans | -80.7 | 179 | -159.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 316 | F | 40 | Very low | 44 | Very low | 225 Ų | 225 | 160 Ų | 160 | 99% | 0.987 | 86% | 0.861 | S | S | * | * | trans | -63.3 | 158.1 | -170.7 | -65.2 | -93.4 | 0 | 0 | 0 | 116 | ||||
| 317 | K | 50.4 | Low | 44.2 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 87% | 0.866 | S | S | * | * | trans | -123.3 | 130.1 | 167.5 | -175.5 | 176.6 | -179.6 | 178.7 | 0 | 109 | ||||
| 318 | G | 41.3 | Very low | 43.7 | Very low | 68 Ų | 68 | 158.4 Ų | 158.4 | 70% | 0.701 | 86% | 0.86 | S | S | * | * | trans | -79.1 | 176.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 319 | D | 38.5 | Very low | 43.7 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 86% | 0.858 | S | S | * | * | trans | -74 | 160.9 | -159.2 | -53.5 | -72.3 | 0 | 0 | 0 | 116.8 | ||||
| 320 | K | 48.3 | Very low | 43.9 | Very low | 210 Ų | 210 | 156.3 Ų | 156.3 | 91% | 0.913 | 86% | 0.859 | S | S | * | * | trans | -117.2 | 142 | 159.9 | -94.8 | -173.5 | 172.2 | -176.1 | 0 | 109.9 | ||||
| 321 | G | 39.9 | Very low | 43.5 | Very low | 80 Ų | 80 | 158 Ų | 158 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | trans | -66.5 | 163.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 322 | Q | 40.5 | Very low | 43.4 | Very low | 202 Ų | 202 | 156 Ų | 156 | 94% | 0.944 | 85% | 0.854 | S | S | * | * | trans | -68.2 | 149.7 | -172 | -63.8 | 172.3 | -4.8 | 0 | 0 | 113.8 | ||||
| 323 | R | 47.9 | Very low | 43.6 | Very low | 241 Ų | 241 | 156 Ų | 156 | 91% | 0.909 | 85% | 0.854 | S | S | * | * | trans | -105.6 | 146.3 | 160.7 | -167.3 | -180 | -63.3 | -167.4 | 1.6 | 108 | ||||
| 324 | G | 41.1 | Very low | 43.5 | Very low | 70 Ų | 70 | 155.1 Ų | 155.1 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 158.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 325 | L | 40.9 | Very low | 43 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 120.2 | -177.7 | -72.1 | 152.9 | 0 | 0 | 0 | 111.7 | ||
| 326 | D | 46.9 | Very low | 43.1 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 140.8 | 154.9 | -69.9 | -39.4 | 0 | 0 | 0 | 109.1 | ||
| 327 | G | 47.2 | Very low | 42.8 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 328 | I | 40.7 | Very low | 42.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 137.7 | 176.3 | 49.4 | 173.7 | 0 | 0 | 0 | 111.5 | ||
| 329 | D | 48.4 | Very low | 42.3 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 158.3 | -174.6 | -69.7 | -56.3 | 0 | 0 | 0 | 114.3 | R331 | D329-R331 PolarHBondContact O-N 2.87Š|
| 330 | G | 44.9 | Very low | 42.2 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 130 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K332 | G330-K332 PolarHBondContact O-N 3.27Š|
| 331 | R | 37.4 | Very low | 41.8 | Very low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -50.6 | 113.4 | -176.5 | -69.5 | -176.6 | 177.8 | -168.1 | -0.7 | 111.4 | D329 G333 | D329-R331 PolarHBondContact O-N 2.87Å; R331-G333 PolarHBondContact O-N 2.03Å | ||
| 332 | K | 45.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.3 | 156.7 | -173 | 178.8 | -178.1 | -179.1 | 0 | 107.4 | G330 | G330-K332 PolarHBondContact O-N 3.27Š|
| 333 | G | 46.8 | Very low | 41.4 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 145.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R331 A335 | R331-G333 PolarHBondContact O-N 2.03Å; G333-A335 PolarHBondContact O-N 2.68Å |
| 334 | E | 35.1 | Very low | 40.9 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 136.4 | 179.7 | -66.2 | 177.5 | 167.2 | 0 | 0 | 110.4 | G336 | E334-G336 PolarHBondContact O-N 3.45Š|
| 335 | A | 39.2 | Very low | 40.8 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G333 | G333-A335 PolarHBondContact O-N 2.68Š|
| 336 | G | 44.2 | Very low | 40.3 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E334 | E334-G336 PolarHBondContact O-N 3.45Š|
| 337 | F | 34.3 | Very low | 40.3 | Very low | 205 Ų | 205 | 129.7 Ų | 129.7 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.6 | -178.5 | -72.1 | -86 | 0 | 0 | 0 | 111.8 | G339 | F337-G339 PolarHBondContact O-N 2.97Š|
| 338 | P | 40.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 130.5 | 178.5 | -23.8 | 33.7 | 0 | 0 | 0 | 112 | ||
| 339 | G | 39.9 | Very low | 39.7 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 139.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F337 | F337-G339 PolarHBondContact O-N 2.97Š|
| 340 | L | 36.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 127 Ų | 127 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75 | 150.9 | -179.8 | -72.3 | 165.3 | 0 | 0 | 0 | 112.2 | ||
| 341 | P | 41.5 | Very low | 39.4 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151.9 | -174.3 | -16.6 | 32.3 | 0 | 0 | 0 | 114.6 | ||
| 342 | G | 39.9 | Very low | 39.3 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 162.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 343 | C | 30.8 | Very low | 39.3 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 154.4 | -175 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 344 | K | 38.8 | Very low | 39 | Very low | 212 Ų | 212 | 124.4 Ų | 124.4 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 147.2 | 180 | -165.8 | 178.2 | -177.7 | -176.6 | 0 | 111.7 | ||
| 345 | G | 39.1 | Very low | 39.3 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 346 | A | 30.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 138.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 347 | P | 46.4 | Very low | 39.8 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 153.7 | 164.8 | -17.5 | 31.8 | 0 | 0 | 0 | 111.8 | ||
| 348 | G | 39.6 | Very low | 40.4 | Very low | 68 Ų | 68 | 122.3 Ų | 122.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 162 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D350 | G348-D350 PolarHBondContact O-N 3.02Š|
| 349 | S | 34.7 | Very low | 40.8 | Very low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -74.1 | 112.6 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 350 | D | 47.7 | Very low | 41 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -61.6 | 141.1 | 166.8 | -67.9 | -41.7 | 0 | 0 | 0 | 110.6 | G348 | G348-D350 PolarHBondContact O-N 3.02Š| ||
| 351 | G | 40.6 | Very low | 41.3 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -64 | 147 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q353 | G351-Q353 PolarHBondContact O-N 3.11Å; G351-Q353 VanDerWaalsContact O-N 3.07Å | ||
| 352 | Q | 35.8 | Very low | 41.9 | Very low | 204 Ų | 204 | 124.8 Ų | 124.8 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -65.3 | 111.4 | -178 | -66 | -174.5 | 18.7 | 0 | 0 | 111.4 | ||||
| 353 | Q | 43.8 | Very low | 42.2 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.6 | 164.9 | -175.6 | 175.6 | 3.7 | 0 | 0 | 108.9 | G351 | G351-Q353 PolarHBondContact O-N 3.11Å; G351-Q353 VanDerWaalsContact O-N 3.07Å |
| 354 | G | 41.3 | Very low | 43 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 355 | E | 40.4 | Very low | 43.2 | Very low | 192 Ų | 192 | 126 Ų | 126 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 133.3 | -173.1 | -63.9 | -151.7 | 130.2 | 0 | 0 | 112.9 | G357 | E355-G357 PolarHBondContact O-N 2.82Š|
| 356 | P | 50.8 | Low | 43.3 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.2 | 166.8 | -19.9 | 32.8 | 0 | 0 | 0 | 110.8 | ||
| 357 | G | 44 | Very low | 44 | Very low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 150.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E355 K359 | E355-G357 PolarHBondContact O-N 2.82Å; G357-K359 PolarHBondContact O-N 3.28Å |
| 358 | P | 46.5 | Very low | 43.8 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 135.4 | -172.5 | 24.1 | -33.9 | 0 | 0 | 0 | 112.4 | G360 | P358-G360 PolarHBondContact O-N 2.81Š|
| 359 | K | 48.8 | Very low | 44 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.4 | 175.2 | -177.5 | -177.7 | -179.8 | -177.5 | 0 | 109.5 | G357 | G357-K359 PolarHBondContact O-N 3.28Š|
| 360 | G | 43.3 | Very low | 44.5 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 143 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P358 | P358-G360 PolarHBondContact O-N 2.81Š|
| 361 | D | 43.4 | Very low | 44.2 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141.8 | -175.7 | -71.3 | -55.5 | 0 | 0 | 0 | 113.2 | G363 | D361-G363 PolarHBondContact O-N 2.96Š|
| 362 | P | 53.4 | Low | 44.2 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.7 | 170.5 | -20.1 | 32.6 | 0 | 0 | 0 | 111.7 | ||
| 363 | G | 47.5 | Very low | 44.6 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D361 | D361-G363 PolarHBondContact O-N 2.96Š|
| 364 | P | 47.8 | Very low | 44.7 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.9 | -175.1 | 26.1 | -34.3 | 0 | 0 | 0 | 112.5 | G366 | P364-G366 PolarHBondContact O-N 3.13Š|
| 365 | Y | 41.3 | Very low | 44.8 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.6 | 178.7 | -98.9 | -101.4 | 0 | 0 | 0 | 112.5 | ||
| 366 | G | 42 | Very low | 44.7 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P364 K368 | P364-G366 PolarHBondContact O-N 3.13Å; G366-K368 PolarHBondContact O-N 2.72Å |
| 367 | R | 44.3 | Very low | 44.2 | Very low | 251 Ų | 251 | 144.2 Ų | 144.2 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.1 | 176.5 | -73.2 | -174.6 | 173.6 | -163.4 | -1.7 | 110.8 | ||
| 368 | K | 43.5 | Very low | 44.5 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 130.1 | 172.7 | -170.5 | 175 | -177.4 | 177.8 | 0 | 109.5 | G366 | G366-K368 PolarHBondContact O-N 2.72Š|
| 369 | G | 43.5 | Very low | 44 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 370 | E | 43.7 | Very low | 43.9 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.6 | 176.5 | -64.1 | 175.8 | 145.6 | 0 | 0 | 111 | ||
| 371 | K | 42 | Very low | 43.6 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 118.7 | 177.1 | -173.2 | 176.6 | -179.9 | -178.9 | 0 | 108.4 | ||
| 372 | G | 41.5 | Very low | 43.3 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 157.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 373 | D | 43 | Very low | 42.9 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 145.7 | -179.7 | -65.9 | -59.4 | 0 | 0 | 0 | 113.6 | ||
| 374 | P | 45.9 | Very low | 42.6 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68 | 135.8 | 172 | -17.9 | 32 | 0 | 0 | 0 | 112.4 | ||
| 375 | G | 44.7 | Very low | 42.1 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 153.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 376 | R | 38.7 | Very low | 42 | Very low | 245 Ų | 245 | 149.2 Ų | 149.2 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | trans | -118.8 | 126.7 | 162 | -112.1 | -177.3 | 173.5 | -171.9 | -2.3 | 109.3 | ||||
| 377 | N | 39.8 | Very low | 42 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -66.3 | 146.5 | 162.4 | -51.6 | -22.6 | 0 | 0 | 0 | 108.1 | ||||
| 378 | G | 50.1 | Low | 41.6 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | cis | 136.7 | 121 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 379 | E | 34.9 | Very low | 41.9 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -172.7 | 165.5 | 163.5 | -108.2 | -165.5 | 170.3 | 0 | 0 | 110.7 | ||||
| 380 | P | 47.6 | Very low | 41.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | -134.1 | 156.4 | -123.9 | 36.6 | -17 | 0 | 0 | 0 | 118.9 | |||||
| 381 | G | 37.4 | Very low | 41.3 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | 115 | 118.6 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 382 | R | 36.3 | Very low | 42 | Very low | 246 Ų | 246 | 141.6 Ų | 141.6 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | trans | 68.5 | 167.5 | 146.1 | -68.8 | -174.8 | 170.9 | -170.8 | -1.7 | 118.5 | ||||
| 383 | P | 45.6 | Very low | 41.9 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | -139.6 | 150.3 | -52.1 | 39.1 | -23.1 | 0 | 0 | 0 | 115.6 | |||||
| 384 | G | 41.3 | Very low | 41.8 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | 70 | 130 | 141 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 385 | N | 36.7 | Very low | 42.3 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | -169.9 | 153 | 110.9 | -98.4 | -25.7 | 0 | 0 | 0 | 114.6 | |||||
| 386 | Y | 38.8 | Very low | 42 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -57.5 | 163.8 | 173.8 | -59.7 | -103.5 | 0 | 0 | 0 | 112.7 | ||||
| 387 | G | 42.7 | Very low | 42 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | cis | 147.2 | 157 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 388 | S | 35.8 | Very low | 42.4 | Very low | 134 Ų | 134 | 133 Ų | 133 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | trans | -171.5 | 155.2 | 138.9 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 389 | Q | 50.3 | Low | 42.1 | Very low | 202 Ų | 202 | 133 Ų | 133 | 94% | 0.944 | 83% | 0.83 | S | S | * | * | trans | -123.1 | 144.4 | -165.8 | 170.8 | -171.6 | -11.1 | 0 | 0 | 111.6 | ||||
| 390 | G | 39.1 | Very low | 42.5 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | 156.2 | 141.1 | 162 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 391 | R | 36.1 | Very low | 42.9 | Very low | 240 Ų | 240 | 129.7 Ų | 129.7 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | cis | -140.5 | 162 | -10 | -78.2 | -177.4 | 174.5 | -175.2 | -1.4 | 108.1 | ||||
| 392 | P | 54.8 | Low | 43 | Very low | 134 Ų | 134 | 130 Ų | 130 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | -64.7 | 141.9 | 174.3 | -17.4 | 31.6 | 0 | 0 | 0 | 112.2 | ||||
| 393 | G | 40.6 | Very low | 43.2 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -108.1 | 146.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 394 | E | 41.1 | Very low | 43.3 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -82.6 | 161.5 | -165.6 | -63.4 | 175.6 | 124.3 | 0 | 0 | 114.6 | ||||
| 395 | P | 56.4 | Low | 43.4 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -87.1 | 133.7 | 176.6 | 1.6 | 18.1 | 0 | 0 | 0 | 113.1 | ||||
| 396 | G | 38.7 | Very low | 43.7 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 86% | 0.856 | 84% | 0.836 | S | S | * | * | trans | 169.8 | 145.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 397 | G | 38.8 | Very low | 43.9 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | cis | -153.4 | 178.1 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 398 | A | 47.3 | Very low | 44.1 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 399 | G | 44.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 151.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 400 | P | 42.9 | Very low | 44 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 151.6 | -176.1 | 30.3 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 401 | P | 54.5 | Low | 44.4 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 141.7 | 171.2 | 30.5 | -32.6 | 0 | 0 | 0 | 111.1 | ||
| 402 | G | 41.4 | Very low | 44.7 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 145.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 403 | D | 39 | Very low | 44.7 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 158.7 | -162.9 | -70.1 | -64.5 | 0 | 0 | 0 | 116.7 | ||
| 404 | K | 47.6 | Very low | 44.9 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132.2 | -177.6 | 179.2 | -176.6 | 177.9 | -174.6 | 0 | 110.6 | E406 | K404-E406 PolarHBondContact O-N 3.07Š|
| 405 | G | 44.7 | Very low | 45.1 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 406 | E | 42.3 | Very low | 44.6 | Very low | 201 Ų | 201 | 122.4 Ų | 122.4 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 158.1 | 175.7 | -67.1 | -166.9 | 132.7 | 0 | 0 | 112.3 | K404 | K404-E406 PolarHBondContact O-N 3.07Š|
| 407 | R | 43.5 | Very low | 44.7 | Very low | 219 Ų | 219 | 122 Ų | 122 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 141 | -169 | 169.1 | -173.6 | -67 | 168 | -6 | 110.3 | ||
| 408 | G | 46.5 | Very low | 44.7 | Very low | 66 Ų | 66 | 123.4 Ų | 123.4 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 409 | D | 40.5 | Very low | 44.5 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 146.5 | -179.1 | -71.7 | -46.8 | 0 | 0 | 0 | 113 | ||
| 410 | D | 44 | Very low | 44.3 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 150.4 | -176.1 | -66.5 | -60.3 | 0 | 0 | 0 | 113.2 | ||
| 411 | G | 46.8 | Very low | 44 | Very low | 61 Ų | 61 | 130.8 Ų | 130.8 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 150.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 412 | P | 41.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.1 | -177.3 | 26.7 | -34.1 | 0 | 0 | 0 | 112.6 | ||
| 413 | P | 55.6 | Low | 43.5 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.9 | 177.7 | -19.7 | 32.5 | 0 | 0 | 0 | 114 | ||
| 414 | G | 45 | Very low | 43.2 | Very low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 155.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 415 | P | 45.7 | Very low | 43.2 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 132.6 | -176.2 | 30.7 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 416 | D | 45.8 | Very low | 43 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 145.7 | 177.1 | -72 | -43.7 | 0 | 0 | 0 | 113.2 | ||
| 417 | G | 40.6 | Very low | 42.7 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90 | 139.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 418 | A | 38.1 | Very low | 42.8 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 419 | D | 43.5 | Very low | 42.7 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 153.4 | 170.4 | -80 | -44.9 | 0 | 0 | 0 | 113 | ||
| 420 | G | 41.4 | Very low | 42.6 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -125.1 | 130.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 421 | E | 36.6 | Very low | 42.6 | Very low | 204 Ų | 204 | 131.3 Ų | 131.3 | 95% | 0.953 | 84% | 0.836 | S | S | * | * | trans | -82.8 | 166.1 | -171.3 | -57 | 177.5 | 110.2 | 0 | 0 | 115.3 | ||||
| 422 | G | 38.4 | Very low | 42 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | 110.3 | 91.4 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 423 | G | 46.6 | Very low | 41.9 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | trans | -82.7 | -169.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 424 | Q | 33.3 | Very low | 41 | Very low | 203 Ų | 203 | 137.5 Ų | 137.5 | 95% | 0.949 | 85% | 0.849 | S | S | * | * | trans | -165.5 | 170.9 | 151.5 | -110.8 | 179.9 | 24.5 | 0 | 0 | 112.1 | ||||
| 425 | I | 45.9 | Very low | 40.5 | Very low | 171 Ų | 171 | 138 Ų | 138 | 88% | 0.877 | 86% | 0.855 | S | S | * | * | trans | -123 | 143.7 | -161.3 | -77.5 | 167.3 | 0 | 0 | 0 | 113.2 | ||||
| 426 | G | 41.2 | Very low | 39.9 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 86% | 0.858 | S | S | * | * | trans | 86.4 | 148.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 427 | E | 36.8 | Very low | 39.7 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 86% | 0.86 | S | S | * | * | cis | -153 | 140.8 | -9.5 | -109.3 | -162.3 | 124.6 | 0 | 0 | 111.4 | ||||
| 428 | K | 45 | Very low | 40.3 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 90% | 0.896 | 86% | 0.857 | S | S | * | * | trans | 36.5 | 126 | 148.2 | -161 | 177.3 | -171.6 | 178.5 | 0 | 122.7 | ||||
| 429 | G | 44.2 | Very low | 40.2 | Very low | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 86% | 0.858 | S | S | * | * | trans | 159.1 | 87.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 430 | E | 38.8 | Very low | 40.3 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 86% | 0.86 | S | S | * | * | trans | 36.9 | 131.4 | 158 | -68.5 | 179.8 | 153.2 | 0 | 0 | 123.6 | ||||
| 431 | D | 42.8 | Very low | 40.2 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 96% | 0.957 | 86% | 0.855 | S | S | * | * | trans | 56.9 | 116.9 | 157.1 | -99.3 | -0 | 0 | 0 | 0 | 122.4 | ||||
| 432 | G | 33.9 | Very low | 40.1 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 85% | 0.852 | S | S | * | * | trans | -171.8 | 114.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 433 | S | 41.1 | Very low | 40.8 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | trans | -66.7 | 162.6 | -173.8 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 434 | R | 36.4 | Very low | 40.2 | Very low | 250 Ų | 250 | 149.9 Ų | 149.9 | 94% | 0.943 | 85% | 0.851 | S | S | * | * | trans | 104.7 | 128 | 152.4 | -161.6 | -179.1 | -167.2 | 167.8 | 3.6 | 117.5 | ||||
| 435 | G | 35 | Very low | 40.3 | Very low | 70 Ų | 70 | 147.9 Ų | 147.9 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | trans | 103.6 | 76.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R437 | G435-R437 PolarHBondContact O-N 2.89Š| ||
| 436 | N | 32.8 | Very low | 40.6 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | trans | -61.4 | 124 | 171.8 | -66.9 | -20.7 | 0 | 0 | 0 | 111.7 | ||||
| 437 | R | 41.4 | Very low | 40.2 | Very low | 248 Ų | 248 | 145.7 Ų | 145.7 | 94% | 0.936 | 85% | 0.845 | S | S | * | * | trans | -126.7 | 123.6 | 141.1 | -157.4 | 176.3 | -157.8 | 179.7 | 6.2 | 107.6 | G435 | G435-R437 PolarHBondContact O-N 2.89Š| ||
| 438 | G | 52.9 | Low | 40.5 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | trans | -77 | 164.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 439 | P | 35.9 | Very low | 40.3 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 90% | 0.903 | 85% | 0.846 | S | S | * | * | trans | -111.5 | 174.4 | 153.6 | 30.3 | -15.8 | 0 | 0 | 0 | 112.4 | ||||
| 440 | R | 45.9 | Very low | 39.8 | Very low | 253 Ų | 253 | 145.3 Ų | 145.3 | 96% | 0.955 | 85% | 0.847 | S | S | * | * | trans | -86.9 | 155.2 | -170.6 | 170.7 | -173.3 | -179.7 | 180 | 1.5 | 112.8 | ||||
| 441 | G | 39.6 | Very low | 40.3 | Very low | 69 Ų | 69 | 145 Ų | 145 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | 98.2 | 144.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 442 | E | 34.4 | Very low | 39.9 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | cis | -146.5 | -173.4 | 8.9 | -110.1 | -154.2 | 161.8 | 0 | 0 | 110.9 | ||||
| 443 | P | 53.6 | Low | 40.1 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | trans | -61.9 | 151.7 | -166.4 | -22.4 | 32.8 | 0 | 0 | 0 | 115.9 | ||||
| 444 | G | 32.8 | Very low | 39.7 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | -122.5 | 117.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 445 | D | 35.4 | Very low | 39.7 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | -75.5 | 175.9 | 175 | -100.4 | -37.1 | 0 | 0 | 0 | 113.1 | ||||
| 446 | P | 52.9 | Low | 39.6 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | trans | -68 | 140.6 | -156 | -21.5 | 31.8 | 0 | 0 | 0 | 117.5 | ||||
| 447 | G | 32 | Very low | 39.6 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -84.7 | 126.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 448 | P | 43.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -97 | 176 | -175.3 | 35.2 | -30.6 | 0 | 0 | 0 | 114.8 | ||||
| 449 | R | 40.9 | Very low | 38.5 | Very low | 255 Ų | 255 | 140.3 Ų | 140.3 | 96% | 0.962 | 83% | 0.833 | S | S | * | * | trans | -68.8 | 135.9 | 179.9 | 175.6 | -172 | -173.9 | 175.3 | 3.1 | 113.3 | ||||
| 450 | G | 34.5 | Very low | 38.3 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | 140.6 | 132.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 451 | E | 48 | Very low | 37.9 | Very low | 192 Ų | 192 | 134.2 Ų | 134.2 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -72 | 154.6 | 169.3 | -55.5 | 171.6 | 117.9 | 0 | 0 | 111.5 | ||||
| 452 | Q | 36.1 | Very low | 37.5 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | 152.5 | 123 | 98.4 | -173.3 | 174.2 | 18.5 | 0 | 0 | 114.5 | |||||
| 453 | G | 37.2 | Very low | 37.3 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 73.8 | 161.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 454 | R | 33.6 | Very low | 37.1 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | cis | -139.3 | 169.9 | -11.8 | -90.9 | 177.7 | 176.8 | 171.8 | -1.7 | 105 | ||||
| 455 | E | 35.5 | Very low | 37.2 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | -179.3 | 160.8 | 66.8 | -168.5 | 158.1 | -130.2 | 0 | 0 | 108.4 | |||||
| 456 | G | 33.8 | Very low | 37.1 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -137.7 | 169.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 457 | S | 33.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | trans | -135.5 | 118.4 | 153.4 | 44.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 458 | T | 35.4 | Very low | 36.2 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | cis | 92.9 | 113.9 | 42.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 459 | G | 35 | Very low | 35.9 | Very low | 77 Ų | 77 | 145 Ų | 145 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 141.2 | 106.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 460 | A | 31.9 | Very low | 35.6 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | cis | -137 | 159.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 461 | N | 36.8 | Very low | 36.3 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -96.6 | 164.5 | -164.1 | -160.1 | 29.9 | 0 | 0 | 0 | 113.7 | ||||
| 462 | G | 31.4 | Very low | 35.7 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | 142.2 | 62.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 463 | E | 30.5 | Very low | 36.3 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | 96.3 | 150.4 | 82 | -83.8 | -129.1 | 129.1 | 0 | 0 | 112.8 | |||||
| 464 | P | 49.9 | Very low | 37 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -129 | 174.3 | -137.1 | 37.8 | -20.8 | 0 | 0 | 0 | 115.9 | ||||
| 465 | G | 34.4 | Very low | 37 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 167.1 | 139.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 466 | E | 32.4 | Very low | 37.1 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | cis | -152.9 | 174.3 | -21.8 | -143.5 | -161.3 | -179.2 | 0 | 0 | 109.6 | ||||
| 467 | R | 35.3 | Very low | 37.6 | Very low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -87.1 | 138.4 | -175.6 | 171.2 | -165.3 | -68.7 | 155.5 | -4.3 | 112.3 | ||||
| 468 | G | 32.5 | Very low | 37.8 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 165 | 155.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 469 | R | 35.1 | Very low | 37.9 | Very low | 241 Ų | 241 | 138.2 Ų | 138.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | cis | -160.1 | 168.9 | -10.1 | -105 | -177.7 | -170.7 | -167.6 | 2.9 | 107.9 | ||||
| 470 | S | 36.2 | Very low | 38.3 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -53 | 143.7 | 167.8 | -40.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 471 | G | 48.8 | Very low | 39.4 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 174.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 472 | P | 34.9 | Very low | 39.7 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -108.6 | 165.8 | 165.7 | 17.5 | 4.2 | 0 | 0 | 0 | 113.1 | ||||
| 473 | P | 48.3 | Very low | 40.2 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 159.7 | -177.1 | 33 | -30.7 | 0 | 0 | 0 | 113.1 | ||||
| 474 | G | 51.7 | Low | 41.5 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -98.4 | 175.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 475 | Y | 34.3 | Very low | 40.7 | Very low | 233 Ų | 233 | 139.3 Ų | 139.3 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 129.7 | 156.1 | -97.9 | -68.4 | 0 | 0 | 0 | 112.8 | ||||
| 476 | R | 37.5 | Very low | 41.2 | Very low | 233 Ų | 233 | 138.7 Ų | 138.7 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | 47.8 | 133.8 | 144.8 | -177.1 | 177.9 | -76.1 | -173.4 | -4.6 | 122.2 | ||||
| 477 | G | 44.4 | Very low | 41.5 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | 146.7 | 61.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 478 | D | 36.9 | Very low | 41.4 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 54.5 | 134.5 | 137.7 | -48.9 | -34.8 | 0 | 0 | 0 | 125.8 | ||||
| 479 | E | 38.4 | Very low | 41.8 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | 64 | 140.5 | 150.8 | -91.3 | 179.5 | 147.8 | 0 | 0 | 124.9 | ||||
| 480 | G | 42.6 | Very low | 42.3 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -100.1 | -136.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 481 | P | 54.9 | Low | 42.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -113.1 | -143.3 | -6 | 42.1 | -26.1 | 0 | 0 | 0 | 109.8 | ||||
| 482 | P | 43.9 | Very low | 41.6 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -129.9 | -148.7 | -12.5 | 38.7 | -16 | 0 | 0 | 0 | 114.1 | ||||
| 483 | G | 40.5 | Very low | 41.7 | Very low | 67 Ų | 67 | 136.2 Ų | 136.2 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -116.9 | -137.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 484 | P | 59.6 | Low | 40.9 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | -122.2 | 160.7 | -53.1 | 39.3 | -29.6 | 0 | 0 | 0 | 113 | |||||
| 485 | E | 33 | Very low | 40.1 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -179.8 | 160.1 | 135.4 | -162.3 | 155.6 | -155.4 | 0 | 0 | 110.9 | ||||
| 486 | G | 43.1 | Very low | 40.8 | Very low | 63 Ų | 63 | 134.4 Ų | 134.4 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | trans | -89.1 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 487 | P | 40 | Very low | 40.6 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | -150.5 | 178.6 | 60.2 | 38.6 | -16.8 | 0 | 0 | 0 | 118.9 | |||||
| 488 | K | 33.8 | Very low | 40.4 | Very low | 207 Ų | 207 | 129 Ų | 129 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -18.9 | 123.5 | 174.8 | -78.8 | 173.6 | 168.6 | 172.7 | 0 | 121.9 | ||||
| 489 | G | 40.9 | Very low | 40.5 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | 52.3 | 175.1 | 121.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 490 | P | 45.3 | Very low | 40.5 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | cis | -108.6 | -178.5 | -7.6 | 41.9 | -29.4 | 0 | 0 | 0 | 111.5 | ||||
| 491 | R | 35.4 | Very low | 40.4 | Very low | 240 Ų | 240 | 131.8 Ų | 131.8 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | -179.2 | 149.6 | 75.9 | -171.5 | 172.7 | -176 | 164.4 | -0.1 | 108.6 | |||||
| 492 | G | 35.1 | Very low | 39.9 | Very low | 61 Ų | 61 | 132.4 Ų | 132.4 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | -64.7 | -180 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 493 | I | 35.2 | Very low | 39.5 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | cis | -169.9 | 152.2 | 40.6 | 26.7 | 165.4 | 0 | 0 | 0 | 111.6 | ||||
| 494 | K | 32.9 | Very low | 39.4 | Very low | 210 Ų | 210 | 134.8 Ų | 134.8 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | trans | 57 | 136.5 | 135.3 | -160 | 178.3 | -171.5 | -177.5 | 0 | 118.9 | ||||
| 495 | G | 34.8 | Very low | 38.6 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | cis | -170 | 171.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 496 | A | 47.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -80.1 | 150.7 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 497 | A | 34.6 | Very low | 38.7 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -155.4 | 134 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 498 | G | 39.4 | Very low | 38.9 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | cis | -178.4 | 130.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | R500 | G498-R500 PolarHBondContact O-N 3.26Š| ||
| 499 | D | 40.3 | Very low | 39.4 | Very low | 172 Ų | 172 | 136 Ų | 136 | 92% | 0.92 | 82% | 0.82 | S | S | * | * | trans | -68.7 | 128.5 | -171.6 | -63.4 | -55.9 | 0 | 0 | 0 | 112.1 | ||||
| 500 | R | 36.8 | Very low | 39.3 | Very low | 248 Ų | 248 | 136.3 Ų | 136.3 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | trans | -86.1 | 115.9 | 171.9 | -168.4 | 171.9 | -177.7 | 171 | 0.3 | 108.7 | G498 | G498-R500 PolarHBondContact O-N 3.26Š| ||
| 501 | G | 40.7 | Very low | 39.2 | Very low | 55 Ų | 55 | 139.7 Ų | 139.7 | 57% | 0.567 | 83% | 0.827 | S | S | * | * | trans | -69.8 | 167.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 502 | P | 44 | Very low | 39.2 | Very low | 139 Ų | 139 | 140 Ų | 140 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | trans | -71 | 140 | 177.9 | 30.7 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 503 | I | 35.4 | Very low | 39.4 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -102.5 | 114.5 | 170 | -77.8 | 176.2 | 0 | 0 | 0 | 109.4 | ||||
| 504 | G | 38.9 | Very low | 39.3 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | 42.2 | 104.1 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | R506 | G504-R506 PolarHBondContact O-N 2.76Š| ||
| 505 | E | 43 | Very low | 39.5 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 94% | 0.944 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130 | 157.6 | -65.3 | -175 | 148 | 0 | 0 | 110.3 | ||
| 506 | R | 38.4 | Very low | 39.2 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 121.1 | 167.2 | -177.4 | 178.8 | -66.3 | -164.6 | -1.1 | 107.7 | G504 | G504-R506 PolarHBondContact O-N 2.76Š|
| 507 | G | 39.6 | Very low | 38.6 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 136.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 508 | V | 45.5 | Very low | 38.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 127.6 | 177.3 | -156.6 | 0 | 0 | 0 | 0 | 108.9 | G510 | V508-G510 PolarHBondContact O-N 3.2Š|
| 509 | P | 43.1 | Very low | 38.1 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 134.8 | 168 | -21.6 | 33.9 | 0 | 0 | 0 | 110.3 | E511 | P509-E511 PolarHBondContact O-N 3.45Š|
| 510 | G | 38.8 | Very low | 37.8 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 128.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V508 | V508-G510 PolarHBondContact O-N 3.2Š|
| 511 | E | 43.7 | Very low | 37.8 | Very low | 199 Ų | 199 | 130.4 Ų | 130.4 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.2 | 170.7 | -75.1 | -157.4 | 146.5 | 0 | 0 | 111.7 | P509 | P509-E511 PolarHBondContact O-N 3.45Š|
| 512 | R | 35.2 | Very low | 37.5 | Very low | 248 Ų | 248 | 136.4 Ų | 136.4 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121.6 | -176.1 | -167.6 | 179.3 | -164.6 | 166.5 | 5.8 | 110.6 | ||
| 513 | G | 39 | Very low | 37.1 | Very low | 75 Ų | 75 | 133.3 Ų | 133.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 514 | N | 33.4 | Very low | 37.2 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -149.9 | 127.3 | 162.2 | -162.1 | 19.9 | 0 | 0 | 0 | 106.7 | ||||
| 515 | G | 37 | Very low | 37.1 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | 146.2 | 70.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 516 | T | 27.9 | Very low | 37 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | trans | -131.7 | 135.6 | 171.4 | 43.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 517 | K | 36.3 | Very low | 37.2 | Very low | 197 Ų | 197 | 120.5 Ų | 120.5 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -69.1 | 141 | -176.9 | -67.7 | 167.2 | 176.2 | 167.3 | 0 | 111.5 | ||||
| 518 | G | 34.4 | Very low | 37.1 | Very low | 48 Ų | 48 | 123.5 Ų | 123.5 | 50% | 0.495 | 73% | 0.731 | S | S | . | * | trans | -89.2 | 166.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 519 | C | 28.1 | Very low | 36.9 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -139.4 | 155.1 | 155.9 | -81.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 520 | H | 35.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | trans | -69 | 172.8 | -178.2 | -40.2 | -57.7 | 0 | 0 | 0 | 112.3 | ||||
| 521 | G | 35.8 | Very low | 37.2 | Very low | 41 Ų | 41 | 128.8 Ų | 128.8 | 42% | 0.423 | 73% | 0.728 | S | S | . | * | cis | -174 | 173.8 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 522 | F | 34.2 | Very low | 37.4 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -92 | 155.5 | -161 | -76.6 | -96.2 | 0 | 0 | 0 | 116.9 | I595 | F522-I595 WeakPolarHBondContact O-CG2 3.38Š|
| 523 | Q | 35.3 | Very low | 38.1 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 35% | 0.346 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -102 | 143.2 | 161.4 | -175.5 | 165.5 | 43.7 | 0 | 0 | 111.8 | T590 I595 | Q523-T590 PolarHBondContact NE2-O 3.46Å; Q523-T590 PolarHBondContact NE2-OG1 3.07Å; Q523-I595 HydrophobicContact CB-CB 4.42Å; Q523-I595 HydrophobicContact CB-CD1 3.69Å; Q523-I595 HydrophobicContact CB-CG1 3.67Å; Q523-I595 HydrophobicContact CB-CG2 3.86Å; Q523-I595 VanDerWaalsContact CD-CD1 3.46Å; Q523-I595 HydrophobicContact CG-CD1 4.02Å; Q523-I595 HydrophobicContact CG-CG1 3.65Å |
| 524 | G | 37.1 | Very low | 38.3 | Very low | 52 Ų | 52 | 122 Ų | 122 | 54% | 0.536 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 141.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 525 | Y | 36.9 | Very low | 39.1 | Very low | 213 Ų | 213 | 119.5 Ų | 119.5 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 146.3 | 178.6 | -62.1 | -88 | 0 | 0 | 0 | 112.8 | G527 | Y525-G527 PolarHBondContact O-N 3Š|
| 526 | P | 42.1 | Very low | 39.8 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 136.3 | 163.2 | -20.9 | 32.9 | 0 | 0 | 0 | 110.5 | ||
| 527 | G | 41.6 | Very low | 40.6 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y525 R529 | Y525-G527 PolarHBondContact O-N 3Å; G527-R529 PolarHBondContact O-N 3.49Å |
| 528 | P | 37.6 | Very low | 41.4 | Very low | 132 Ų | 132 | 118.2 Ų | 118.2 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.7 | -179.8 | 25.1 | -33.8 | 0 | 0 | 0 | 110.7 | G530 | P528-G530 PolarHBondContact O-N 2.98Š|
| 529 | R | 41.8 | Very low | 42.2 | Very low | 228 Ų | 228 | 118.2 Ų | 118.2 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.9 | 171.7 | -178.6 | 179.7 | -176.2 | 169.3 | 1.9 | 107.9 | G527 | G527-R529 PolarHBondContact O-N 3.49Š|
| 530 | G | 48.2 | Very low | 43.2 | Very low | 65 Ų | 65 | 118.1 Ų | 118.1 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 140.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P528 | P528-G530 PolarHBondContact O-N 2.98Š|
| 531 | D | 40.4 | Very low | 44.1 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 148.4 | -171.9 | -65.3 | -65.3 | 0 | 0 | 0 | 112.5 | G533 | D531-G533 PolarHBondContact O-N 2.75Š|
| 532 | P | 47.9 | Very low | 45 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 127.5 | 170.7 | -21.3 | 32.8 | 0 | 0 | 0 | 110.2 | E534 | P532-E534 PolarHBondContact O-N 2.67Š|
| 533 | G | 49.4 | Very low | 45.9 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D531 | D531-G533 PolarHBondContact O-N 2.75Š|
| 534 | E | 44.3 | Very low | 46.8 | Very low | 185 Ų | 185 | 116.9 Ų | 116.9 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.4 | -172.4 | -67.4 | -167.2 | 143 | 0 | 0 | 112 | P532 G536 | P532-E534 PolarHBondContact O-N 2.67Å; E534-G536 PolarHBondContact O-N 3.26Å |
| 535 | P | 50.3 | Low | 47.7 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 124.3 | 175.5 | -24.2 | 34 | 0 | 0 | 0 | 111.1 | T537 | P535-T537 PolarHBondContact O-N 3.44Š|
| 536 | G | 50.4 | Low | 48.5 | Very low | 67 Ų | 67 | 112.8 Ų | 112.8 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E534 K538 | E534-G536 PolarHBondContact O-N 3.26Å; G536-K538 PolarHBondContact O-N 3.02Å |
| 537 | T | 46 | Very low | 49.2 | Very low | 137 Ų | 137 | 113 Ų | 113 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 127.2 | -175.6 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | P535 G539 | P535-T537 PolarHBondContact O-N 3.44Å; T537-G539 PolarHBondContact O-N 3.06Å; T537-G539 VanDerWaalsContact O-N 3.13Å |
| 538 | K | 51.4 | Low | 49.8 | Very low | 173 Ų | 173 | 112.8 Ų | 112.8 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.9 | 175.7 | -83.7 | -177.4 | 175.5 | 176 | 0 | 110.2 | G536 T540 | G536-K538 PolarHBondContact O-N 3.02Å; K538-T540 PolarHBondContact O-N 3Å |
| 539 | G | 52.3 | Low | 50.6 | Low | 48 Ų | 48 | 113.7 Ų | 113.7 | 50% | 0.495 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 130.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T537 | T537-G539 PolarHBondContact O-N 3.06Å; T537-G539 VanDerWaalsContact O-N 3.13Å |
| 540 | T | 47.7 | Very low | 51.4 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.4 | -179 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | K538 G542 | K538-T540 PolarHBondContact O-N 3Å; T540-G542 PolarHBondContact O-N 3.04Å |
| 541 | P | 55.9 | Low | 51.6 | Low | 114 Ų | 114 | 108.7 Ų | 108.7 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.7 | 172.3 | -22.7 | 33.8 | 0 | 0 | 0 | 110.4 | ||
| 542 | G | 54 | Low | 52.4 | Low | 40 Ų | 40 | 109.5 Ų | 109.5 | 41% | 0.412 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 147.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T540 K544 | T540-G542 PolarHBondContact O-N 3.04Å; G542-K544 PolarHBondContact O-N 3.48Å |
| 543 | P | 52.4 | Low | 52.7 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 81% | 0.805 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.4 | -178.3 | 22.6 | -32.8 | 0 | 0 | 0 | 111.1 | G545 | P543-G545 PolarHBondContact O-N 2.97Š|
| 544 | K | 54.3 | Low | 52.7 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 60% | 0.6 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 121.8 | 173.5 | 177.3 | -167.8 | 165.1 | -151.8 | 0 | 107.3 | G542 D547 | G542-K544 PolarHBondContact O-N 3.48Å; K544-D547 IonicContact NZ-OD2 3.66Å; K544-D547 PolarHBondContact NZ-OD2 3.36Å |
| 545 | G | 55.9 | Low | 53.2 | Low | 32 Ų | 32 | 111.7 Ų | 111.7 | 33% | 0.33 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 139.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P543 | P543-G545 PolarHBondContact O-N 2.97Š|
| 546 | D | 54.3 | Low | 53.4 | Low | 147 Ų | 147 | 113 Ų | 113 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 152.4 | -174.3 | -61 | -56.4 | 0 | 0 | 0 | 112.2 | ||
| 547 | D | 57.6 | Low | 53.7 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 53% | 0.529 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 127.8 | 176 | -85.5 | -68.4 | 0 | 0 | 0 | 109 | K544 K566 | K544-D547 IonicContact NZ-OD2 3.66Å; K544-D547 PolarHBondContact NZ-OD2 3.36Å; D547-K566 IonicContact OD1-NZ 3.26Å; D547-K566 PolarHBondContact OD1-NZ 3.28Å; D547-K566 IonicContact OD2-NZ 2.76Å; D547-K566 PolarHBondContact OD2-NZ 2.89Å |
| 548 | G | 53.5 | Low | 54.3 | Low | 50 Ų | 50 | 119.1 Ų | 119.1 | 52% | 0.515 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 142.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 549 | D | 54.5 | Low | 54.6 | Low | 151 Ų | 151 | 119.8 Ų | 119.8 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139.8 | -175 | -65.9 | -57.7 | 0 | 0 | 0 | 113 | ||
| 550 | P | 58.2 | Low | 54.6 | Low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.2 | 172.6 | -20.2 | 32.6 | 0 | 0 | 0 | 111.8 | ||
| 551 | G | 53.9 | Low | 55 | Low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 552 | D | 56.3 | Low | 55.1 | Low | 169 Ų | 169 | 122.4 Ų | 122.4 | 90% | 0.904 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144 | 179.4 | -75.9 | -49.7 | 0 | 0 | 0 | 113.3 | ||
| 553 | S | 53.1 | Low | 55.2 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 122.9 | -175.9 | -28.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 554 | G | 50.1 | Low | 55.4 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 149 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D556 | G554-D556 PolarHBondContact O-N 3.5Š|
| 555 | R | 54.4 | Low | 55.6 | Low | 249 Ų | 249 | 122.2 Ų | 122.2 | 94% | 0.94 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -81.8 | -11.8 | -170.2 | -135.6 | 177.8 | -169 | 178.3 | 4.5 | 115.3 | ||
| 556 | D | 55.5 | Low | 55.6 | Low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -143.3 | 147.1 | 172.8 | -72.1 | -64.3 | 0 | 0 | 0 | 109.1 | G554 | G554-D556 PolarHBondContact O-N 3.5Š|
| 557 | N | 55.4 | Low | 55.7 | Low | 156 Ų | 156 | 121.5 Ų | 121.5 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 87.4 | 120.2 | -179.7 | -52.1 | -36.5 | 0 | 0 | 0 | 117.2 | E559 | N557-E559 PolarHBondContact O-N 3.44Š|
| 558 | N | 60.2 | Low | 55.5 | Low | 178 Ų | 178 | 121.7 Ų | 121.7 | 95% | 0.952 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -82 | 55.3 | -169.3 | -85 | -23.2 | 0 | 0 | 0 | 114.8 | ||
| 559 | E | 57.4 | Low | 55.6 | Low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -132.8 | 117.4 | 165.6 | -71 | -168.5 | 153.5 | 0 | 0 | 111.2 | N557 G561 | N557-E559 PolarHBondContact O-N 3.44Å; E559-G561 PolarHBondContact O-N 2.76Å | ||
| 560 | L | 52 | Low | 55.6 | Low | 161 Ų | 161 | 122.5 Ų | 122.5 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121.5 | 170 | -82.3 | 161.4 | 0 | 0 | 0 | 109 | ||
| 561 | G | 56.4 | Low | 55.4 | Low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E559 | E559-G561 PolarHBondContact O-N 2.76Š|
| 562 | P | 57 | Low | 55.4 | Low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 143.6 | -179.6 | 26.5 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 563 | P | 57.2 | Low | 55.3 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 143.2 | 176.5 | -25.8 | 34.4 | 0 | 0 | 0 | 112.8 | ||
| 564 | G | 56.2 | Low | 55.5 | Low | 46 Ų | 46 | 124.7 Ų | 124.7 | 47% | 0.474 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -59 | 146.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K566 | G564-K566 PolarHBondContact O-N 3.25Š|
| 565 | P | 57.8 | Low | 55.7 | Low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.7 | -177.6 | 25.9 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 566 | K | 56.6 | Low | 55.7 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 49% | 0.491 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 134.1 | -177.1 | -160.7 | -174.4 | -168.5 | 101 | 0 | 111.8 | D547 G564 | D547-K566 IonicContact OD1-NZ 3.26Å; D547-K566 PolarHBondContact OD1-NZ 3.28Å; D547-K566 IonicContact OD2-NZ 2.76Å; D547-K566 PolarHBondContact OD2-NZ 2.89Å; G564-K566 PolarHBondContact O-N 3.25Å |
| 567 | G | 55.9 | Low | 55.6 | Low | 51 Ų | 51 | 118.9 Ų | 118.9 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 145.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 568 | A | 54.3 | Low | 55.4 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G570 | A568-G570 PolarHBondContact O-N 2.65Š|
| 569 | K | 56 | Low | 54.9 | Low | 164 Ų | 164 | 116.1 Ų | 116.1 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.1 | -179.2 | -168.5 | 179.3 | -175.5 | -179.2 | 0 | 110.6 | ||
| 570 | G | 52.9 | Low | 54.6 | Low | 54 Ų | 54 | 110 Ų | 110 | 56% | 0.557 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 139.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A568 | A568-G570 PolarHBondContact O-N 2.65Š|
| 571 | H | 54.3 | Low | 54.5 | Low | 192 Ų | 192 | 108.2 Ų | 108.2 | 89% | 0.889 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 146.5 | -179.6 | -67.9 | -73.3 | 0 | 0 | 0 | 112.2 | ||
| 572 | R | 54.1 | Low | 54.4 | Low | 132 Ų | 132 | 110.6 Ų | 110.6 | 50% | 0.498 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 136.1 | 174.1 | -164.6 | 177.2 | -175.2 | -135.8 | -9.3 | 109.4 | E575 | R572-E575 IonicContact CZ-OE1 3.09Å; R572-E575 IonicContact NH1-OE1 2.75Å; R572-E575 PolarHBondContact NH1-OE1 3.12Å; R572-E575 IonicContact NH2-OE1 2.67Å; R572-E575 PolarHBondContact NH2-OE1 3.05Å |
| 573 | G | 54.8 | Low | 53.8 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 55% | 0.546 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 155.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 574 | P | 57.4 | Low | 53.1 | Low | 135 Ų | 135 | 108 Ų | 108 | 88% | 0.877 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142 | -179.3 | 26.2 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 575 | E | 54.9 | Low | 52.7 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 62% | 0.621 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 135.2 | 177.4 | -68.7 | -171.7 | 141.6 | 0 | 0 | 110.8 | R572 | R572-E575 IonicContact CZ-OE1 3.09Å; R572-E575 IonicContact NH1-OE1 2.75Å; R572-E575 PolarHBondContact NH1-OE1 3.12Å; R572-E575 IonicContact NH2-OE1 2.67Å; R572-E575 PolarHBondContact NH2-OE1 3.05Å |
| 576 | G | 52.8 | Low | 52 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 141.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P578 | G576-P578 WeakPolarHBondContact O-CD 3.31Š|
| 577 | N | 54.3 | Low | 51.4 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.8 | -177.9 | -173.2 | 10.7 | 0 | 0 | 0 | 110.8 | Q579 | N577-Q579 PolarHBondContact O-N 3.37Å; N577-Q579 VanDerWaalsContact O-N 3.13Å |
| 578 | P | 51.2 | Low | 51.1 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -73.6 | -1.5 | -171.1 | 28.7 | -36.9 | 0 | 0 | 0 | 115.2 | G576 | G576-P578 WeakPolarHBondContact O-CD 3.31Š|
| 579 | Q | 49.2 | Very low | 50.9 | Low | 162 Ų | 162 | 106 Ų | 106 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | trans | -126.4 | 103.4 | 173.3 | -82.8 | 166.9 | -17.2 | 0 | 0 | 110.3 | N577 | N577-Q579 PolarHBondContact O-N 3.37Å; N577-Q579 VanDerWaalsContact O-N 3.13Å | ||
| 580 | G | 52.1 | Low | 50.8 | Low | 58 Ų | 58 | 101 Ų | 101 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 161.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 581 | P | 48.8 | Very low | 51 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 139.4 | 175.7 | 25.1 | -33.8 | 0 | 0 | 0 | 110 | G583 | P581-G583 PolarHBondContact O-N 3.36Š|
| 582 | P | 53.7 | Low | 51.1 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 74% | 0.74 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 134.1 | 177.1 | -25.4 | 34 | 0 | 0 | 0 | 111.1 | ||
| 583 | G | 44.8 | Very low | 51.3 | Low | 62 Ų | 62 | 91.4 Ų | 91.4 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -55 | 149 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | P581 | P581-G583 PolarHBondContact O-N 3.36Š|
| 584 | P | 43.4 | Very low | 51.5 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143.1 | -179.1 | 23.7 | -33.7 | 0 | 0 | 0 | 110.4 | G586 | P584-G586 PolarHBondContact O-N 2.86Š|
| 585 | P | 48.5 | Very low | 51.8 | Low | 128 Ų | 128 | 85.5 Ų | 85.5 | 83% | 0.831 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 136.1 | 175.5 | -25.2 | 34.1 | 0 | 0 | 0 | 110.7 | ||
| 586 | G | 41.1 | Very low | 51.9 | Low | 56 Ų | 56 | 80.9 Ų | 80.9 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 152.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P584 | P584-G586 PolarHBondContact O-N 2.86Š|
| 587 | P | 44.3 | Very low | 52 | Low | 102 Ų | 102 | 78.8 Ų | 78.8 | 66% | 0.662 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 139.7 | 172.9 | 25.7 | -33.7 | 0 | 0 | 0 | 108.9 | ||
| 588 | P | 50.3 | Low | 52.1 | Low | 82 Ų | 82 | 75.9 Ų | 75.9 | 53% | 0.532 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -57 | 148.8 | 175.3 | 26.4 | -34.3 | 0 | 0 | 0 | 109.3 | R989 | P588-R989 VanDerWaalsContact CD-NH2 3.31Š|
| 589 | G | 50 | Low | 52.4 | Low | 38 Ų | 38 | 71.9 Ų | 71.9 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 153.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 590 | T | 53.8 | Low | 52.6 | Low | 59 Ų | 59 | 65.9 Ų | 65.9 | 36% | 0.362 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 152.4 | 173.6 | 32.3 | 0 | 0 | 0 | 0 | 110.3 | Q523 E594 | Q523-T590 PolarHBondContact NE2-O 3.46Å; Q523-T590 PolarHBondContact NE2-OG1 3.07Å; T590-E594 WeakPolarHBondContact CA-OE2 3.35Å; T590-E594 HydrophobicContact CG2-CB 4.39Å |
| 591 | D | 57.3 | Low | 52.6 | Low | 39 Ų | 39 | 70.1 Ų | 70.1 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 152.7 | 177.9 | 169.1 | 86.1 | 0 | 0 | 0 | 111.2 | C593 E594 I595 R1011 | D591-C593 PolarHBondContact O-N 3.08Å; D591-C593 WeakPolarHBondContact OD2-CA 3.36Å; D591-C593 WeakPolarHBondContact OD2-CB 3.11Å; D591-C593 PolarHBondContact OD2-N 2.78Å; D591-E594 HydrophobicContact CB-CB 4.48Å; D591-E594 HydrophobicContact CB-CG 4.1Å; D591-E594 PolarHBondContact N-OE2 3.43Å; D591-E594 WeakPolarHBondContact O-CA 3.44Å; D591-E594 WeakPolarHBondContact O-CB 3.44Å; D591-E594 PolarHBondContact O-N 2.82Å; D591-I595 PolarHBondContact O-N 2.89Å; D591-R1011 VanDerWaalsContact CG-NH2 3.31Å; D591-R1011 IonicContact OD1-CZ 2.9Å; D591-R1011 IonicContact OD1-NE 3.04Å; D591-R1011 PolarHBondContact OD1-NE 3.34Å; D591-R1011 IonicContact OD1-NH2 3.78Å; D591-R1011 PolarHBondContact OD1-NH2 3Å; D591-R1011 VanDerWaalsContact OD2-CD 3.28Å; D591-R1011 WeakPolarHBondContact OD2-CD 3.5Å; D591-R1011 IonicContact OD2-CZ 3.14Å; D591-R1011 IonicContact OD2-NE 3.24Å; D591-R1011 PolarHBondContact OD2-NE 2.94Å; D591-R1011 IonicContact OD2-NH2 2.7Å; D591-R1011 PolarHBondContact OD2-NH2 2.89Å |
| 592 | E | 57 | Low | 52.7 | Low | 136 Ų | 136 | 70.6 Ų | 70.6 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.7 | -32.1 | -178.9 | -68.2 | 177.1 | 145.3 | 0 | 0 | 113.6 | I595 L596 R1011 | E592-I595 HydrophobicContact CB-CD1 4.18Å; E592-I595 HydrophobicContact CG-CD1 4.34Å; E592-I595 WeakPolarHBondContact O-CB 3.26Å; E592-I595 WeakPolarHBondContact O-CG1 3.46Å; E592-I595 PolarHBondContact O-N 3.47Å; E592-L596 PolarHBondContact O-N 2.89Å; E592-R1011 IonicContact OE2-NH2 2.71Å |
| 593 | C | 58 | Low | 52.4 | Low | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -77.9 | -25.2 | 176.8 | -159.4 | 0 | 0 | 0 | 0 | 112.5 | D591 L596 D597 C813 | D591-C593 PolarHBondContact O-N 3.08Å; D591-C593 WeakPolarHBondContact OD2-CA 3.36Å; D591-C593 WeakPolarHBondContact OD2-CB 3.11Å; D591-C593 PolarHBondContact OD2-N 2.78Å; C593-L596 PolarHBondContact O-N 2.92Å; C593-D597 WeakPolarHBondContact O-CB 3.28Å; C593-D597 PolarHBondContact O-N 3.35Å; C593-C813 VanDerWaalsContact CA-SG 3.53Å; C593-C813 HydrophobicContact CB-CB 3.86Å; C593-C813 WeakPolarHBondContact CB-SG 3.39Å; C593-C813 WeakPolarHBondContact SG-CB 3.36Å; C593-C813 CovalentContact SG-SG 2.03Å; C593-C813 PolarHBondContact SG-SG 3.16Å |
| 594 | E | 59.1 | Low | 52.3 | Low | 36 Ų | 36 | 68.1 Ų | 68.1 | 17% | 0.168 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.4 | -34 | 168.9 | -64 | 177.5 | 152.8 | 0 | 0 | 110.5 | T590 D591 L596 I598 R1012 | T590-E594 WeakPolarHBondContact CA-OE2 3.35Å; T590-E594 HydrophobicContact CG2-CB 4.39Å; D591-E594 HydrophobicContact CB-CB 4.48Å; D591-E594 HydrophobicContact CB-CG 4.1Å; D591-E594 PolarHBondContact N-OE2 3.43Å; D591-E594 WeakPolarHBondContact O-CA 3.44Å; D591-E594 WeakPolarHBondContact O-CB 3.44Å; D591-E594 PolarHBondContact O-N 2.82Å; E594-L596 VanDerWaalsContact C-N 3.31Å; E594-I598 VanDerWaalsContact O-CB 3.29Å; E594-I598 WeakPolarHBondContact O-CB 3.29Å; E594-I598 VanDerWaalsContact O-CD1 3.31Å; E594-I598 WeakPolarHBondContact O-CD1 3.19Å; E594-I598 WeakPolarHBondContact O-CG1 3.44Å; E594-I598 PolarHBondContact O-N 3.48Å; E594-R1012 IonicContact OE1-CZ 2.66Å; E594-R1012 VanDerWaalsContact OE1-CZ 3.24Å; E594-R1012 IonicContact OE1-NE 3.63Å; E594-R1012 PolarHBondContact OE1-NE 3.49Å; E594-R1012 IonicContact OE1-NH2 3.58Å; E594-R1012 PolarHBondContact OE1-NH2 2.61Å |
| 595 | I | 62.9 | Low | 52.3 | Low | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.138 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.2 | -48 | 164.9 | -32.1 | 164.4 | 0 | 0 | 0 | 109.8 | F522 Q523 D591 E592 D597 I598 I599 | F522-I595 WeakPolarHBondContact O-CG2 3.38Å; Q523-I595 HydrophobicContact CB-CB 4.42Å; Q523-I595 HydrophobicContact CB-CD1 3.69Å; Q523-I595 HydrophobicContact CB-CG1 3.67Å; Q523-I595 HydrophobicContact CB-CG2 3.86Å; Q523-I595 VanDerWaalsContact CD-CD1 3.46Å; Q523-I595 HydrophobicContact CG-CD1 4.02Å; Q523-I595 HydrophobicContact CG-CG1 3.65Å; D591-I595 PolarHBondContact O-N 2.89Å; E592-I595 HydrophobicContact CB-CD1 4.18Å; E592-I595 HydrophobicContact CG-CD1 4.34Å; E592-I595 WeakPolarHBondContact O-CB 3.26Å; E592-I595 WeakPolarHBondContact O-CG1 3.46Å; E592-I595 PolarHBondContact O-N 3.47Å; I595-D597 VanDerWaalsContact C-N 3.32Å; I595-D597 PolarHBondContact O-N 2.94Å; I595-I598 CarbonylContact O-C 3.56Å; I595-I598 WeakPolarHBondContact O-CB 3.49Å; I595-I598 PolarHBondContact O-N 2.88Å; I595-I598 VanDerWaalsContact O-N 3.13Å; I595-I599 HydrophobicContact CB-CD1 4.44Å; I595-I599 HydrophobicContact CG2-CD1 3.6Å; I595-I599 HydrophobicContact CG2-CG1 4.08Å; I595-I599 WeakPolarHBondContact O-CB 3.43Å; I595-I599 VanDerWaalsContact O-CG1 3.3Å; I595-I599 WeakPolarHBondContact O-CG1 2.94Å; I595-I599 PolarHBondContact O-N 3Å |
| 596 | L | 57.3 | Low | 52.2 | Low | 37 Ų | 37 | 62.2 Ų | 62.2 | 19% | 0.194 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.8 | -36.7 | -173.3 | -162.4 | 60.5 | 0 | 0 | 0 | 111.6 | E592 C593 E594 M600 Y811 | E592-L596 PolarHBondContact O-N 2.89Å; C593-L596 PolarHBondContact O-N 2.92Å; E594-L596 VanDerWaalsContact C-N 3.31Å; L596-M600 VanDerWaalsContact O-CB 3.28Å; L596-M600 WeakPolarHBondContact O-CB 3.49Å; L596-M600 VanDerWaalsContact O-CG 3.26Å; L596-M600 WeakPolarHBondContact O-CG 3.47Å; L596-M600 PolarHBondContact O-N 3.23Å; L596-Y811 HydrophobicContact CD1-CD1 4.05Å; L596-Y811 HydrophobicContact CD1-CG 4.42Å |
| 597 | D | 54.2 | Low | 52.5 | Low | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 169.9 | -174.7 | 50.2 | 0 | 0 | 0 | 112.1 | C593 I595 M600 K601 V1004 | C593-D597 WeakPolarHBondContact O-CB 3.28Å; C593-D597 PolarHBondContact O-N 3.35Å; I595-D597 VanDerWaalsContact C-N 3.32Å; I595-D597 PolarHBondContact O-N 2.94Å; D597-M600 PolarHBondContact O-N 2.87Å; D597-K601 VanDerWaalsContact CG-NZ 3.31Å; D597-K601 WeakPolarHBondContact O-CB 3.48Å; D597-K601 WeakPolarHBondContact O-CD 3.2Å; D597-K601 WeakPolarHBondContact O-CG 3.43Å; D597-K601 PolarHBondContact O-N 3.24Å; D597-K601 WeakPolarHBondContact OD1-CE 3.17Å; D597-K601 IonicContact OD1-NZ 2.69Å; D597-K601 PolarHBondContact OD1-NZ 2.98Å; D597-K601 WeakPolarHBondContact OD2-CE 3.34Å; D597-K601 IonicContact OD2-NZ 3.85Å; D597-K601 PolarHBondContact OD2-NZ 3.29Å; D597-V1004 HydrophobicContact CB-CG2 3.56Å; D597-V1004 WeakPolarHBondContact OD1-CG2 3.48Å |
| 598 | I | 58 | Low | 53 | Low | 75 Ų | 75 | 62 Ų | 62 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 174.2 | -72.2 | 164 | 0 | 0 | 0 | 110.9 | E594 I595 M600 K601 L602 | E594-I598 VanDerWaalsContact O-CB 3.29Å; E594-I598 WeakPolarHBondContact O-CB 3.29Å; E594-I598 VanDerWaalsContact O-CD1 3.31Å; E594-I598 WeakPolarHBondContact O-CD1 3.19Å; E594-I598 WeakPolarHBondContact O-CG1 3.44Å; E594-I598 PolarHBondContact O-N 3.48Å; I595-I598 CarbonylContact O-C 3.56Å; I595-I598 WeakPolarHBondContact O-CB 3.49Å; I595-I598 PolarHBondContact O-N 2.88Å; I595-I598 VanDerWaalsContact O-N 3.13Å; I598-M600 PolarHBondContact O-N 3.21Å; I598-K601 PolarHBondContact O-N 3.06Å; I598-L602 HydrophobicContact CG2-CD1 3.58Å; I598-L602 HydrophobicContact CG2-CG 4.34Å; I598-L602 WeakPolarHBondContact O-CB 3.37Å; I598-L602 VanDerWaalsContact O-CG 3.26Å; I598-L602 WeakPolarHBondContact O-CG 3.5Å; I598-L602 PolarHBondContact O-N 2.94Å |
| 599 | I | 57.8 | Low | 53.4 | Low | 30 Ų | 30 | 60.1 Ų | 60.1 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.3 | -69.8 | 166.3 | 0 | 0 | 0 | 110.1 | I595 K601 L602 C603 | I595-I599 HydrophobicContact CB-CD1 4.44Å; I595-I599 HydrophobicContact CG2-CD1 3.6Å; I595-I599 HydrophobicContact CG2-CG1 4.08Å; I595-I599 WeakPolarHBondContact O-CB 3.43Å; I595-I599 VanDerWaalsContact O-CG1 3.3Å; I595-I599 WeakPolarHBondContact O-CG1 2.94Å; I595-I599 PolarHBondContact O-N 3Å; I599-K601 VanDerWaalsContact C-N 3.27Å; I599-K601 PolarHBondContact O-N 3.24Å; I599-L602 PolarHBondContact O-N 2.97Å; I599-C603 VanDerWaalsContact O-CB 3.26Å; I599-C603 WeakPolarHBondContact O-CB 3.07Å; I599-C603 PolarHBondContact O-N 2.87Å |
| 600 | M | 52.8 | Low | 54.4 | Low | 35 Ų | 35 | 63.2 Ų | 63.2 | 17% | 0.172 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.1 | -20.1 | 178.5 | -73.4 | -175.6 | 65.6 | 0 | 0 | 113.7 | L596 D597 I598 A607 Y811 V1004 | L596-M600 VanDerWaalsContact O-CB 3.28Å; L596-M600 WeakPolarHBondContact O-CB 3.49Å; L596-M600 VanDerWaalsContact O-CG 3.26Å; L596-M600 WeakPolarHBondContact O-CG 3.47Å; L596-M600 PolarHBondContact O-N 3.23Å; D597-M600 PolarHBondContact O-N 2.87Å; I598-M600 PolarHBondContact O-N 3.21Å; M600-A607 HydrophobicContact CE-CB 4.01Å; M600-Y811 HydrophobicContact SD-CD2 4.11Å; M600-Y811 HydrophobicContact SD-CG 4.41Å; M600-V1004 HydrophobicContact CE-CG1 3.86Å; M600-V1004 HydrophobicContact SD-CG1 3.39Å; M600-V1004 WeakPolarHBondContact SD-CG1 3.37Å |
| 601 | K | 51.3 | Low | 55.8 | Low | 147 Ų | 147 | 61.2 Ų | 61.2 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -83.7 | -29.5 | 170.2 | -76.1 | 167.1 | 178.4 | 167.2 | 0 | 113.3 | D597 I598 I599 | D597-K601 VanDerWaalsContact CG-NZ 3.31Å; D597-K601 WeakPolarHBondContact O-CB 3.48Å; D597-K601 WeakPolarHBondContact O-CD 3.2Å; D597-K601 WeakPolarHBondContact O-CG 3.43Å; D597-K601 PolarHBondContact O-N 3.24Å; D597-K601 WeakPolarHBondContact OD1-CE 3.17Å; D597-K601 IonicContact OD1-NZ 2.69Å; D597-K601 PolarHBondContact OD1-NZ 2.98Å; D597-K601 WeakPolarHBondContact OD2-CE 3.34Å; D597-K601 IonicContact OD2-NZ 3.85Å; D597-K601 PolarHBondContact OD2-NZ 3.29Å; I598-K601 PolarHBondContact O-N 3.06Å; I599-K601 VanDerWaalsContact C-N 3.27Å; I599-K601 PolarHBondContact O-N 3.24Å |
| 602 | L | 51.2 | Low | 57 | Low | 135 Ų | 135 | 60.1 Ų | 60.1 | 71% | 0.707 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -93.7 | -23.4 | -178.8 | -67.7 | 174.4 | 0 | 0 | 0 | 113.7 | I598 I599 | I598-L602 HydrophobicContact CG2-CD1 3.58Å; I598-L602 HydrophobicContact CG2-CG 4.34Å; I598-L602 WeakPolarHBondContact O-CB 3.37Å; I598-L602 VanDerWaalsContact O-CG 3.26Å; I598-L602 WeakPolarHBondContact O-CG 3.5Å; I598-L602 PolarHBondContact O-N 2.94Å; I599-L602 PolarHBondContact O-N 2.97Å |
| 603 | C | 47.1 | Very low | 58.6 | Low | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | trans | -111.9 | 88.5 | 178.7 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | I599 C605 C606 | I599-C603 VanDerWaalsContact O-CB 3.26Å; I599-C603 WeakPolarHBondContact O-CB 3.07Å; I599-C603 PolarHBondContact O-N 2.87Å; C603-C605 PolarHBondContact O-N 2.82Å; C603-C605 VanDerWaalsContact O-N 3.13Å; C603-C606 HydrophobicContact CB-CB 3.86Å; C603-C606 VanDerWaalsContact CB-SG 3.56Å; C603-C606 PolarHBondContact O-N 2.72Å | ||
| 604 | S | 42.5 | Very low | 60.2 | Low | 94 Ų | 94 | 55.7 Ų | 55.7 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -46.6 | -42.5 | 174 | -17.5 | 0 | 0 | 0 | 0 | 112 | C606 | S604-C606 VanDerWaalsContact C-N 3.33Å; S604-C606 PolarHBondContact O-N 3.45Å |
| 605 | C | 44.4 | Very low | 61.9 | Low | 99 Ų | 99 | 54 Ų | 54 | 67% | 0.669 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -76.2 | -10.9 | -176.3 | -46.2 | 0 | 0 | 0 | 0 | 114.9 | C603 | C603-C605 PolarHBondContact O-N 2.82Å; C603-C605 VanDerWaalsContact O-N 3.13Å |
| 606 | C | 45.8 | Very low | 63.5 | Low | 26 Ų | 26 | 52.8 Ų | 52.8 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -86 | -19.6 | 179.9 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | C603 S604 | C603-C606 HydrophobicContact CB-CB 3.86Å; C603-C606 VanDerWaalsContact CB-SG 3.56Å; C603-C606 PolarHBondContact O-N 2.72Å; S604-C606 VanDerWaalsContact C-N 3.33Å; S604-C606 PolarHBondContact O-N 3.45Å |
| 607 | A | 48 | Very low | 65.4 | Low | 49 Ų | 49 | 51 Ų | 51 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -95.8 | -5.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M600 C609 | M600-A607 HydrophobicContact CE-CB 4.01Å; A607-C609 PolarHBondContact O-N 2.69Å |
| 608 | E | 55.1 | Low | 67.5 | Low | 106 Ų | 106 | 50 Ų | 50 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | trans | -72.7 | 109.9 | -178.8 | -70.6 | -176.8 | 169.7 | 0 | 0 | 111.5 | K610 | E608-K610 PolarHBondContact O-N 2.66Å; E608-K610 VanDerWaalsContact O-N 3.16Å | ||
| 609 | C | 59 | Low | 69.3 | Low | 42 Ų | 42 | 46.4 Ų | 46.4 | 28% | 0.284 | 26% | 0.264 | S | S | . | . | trans | -67.8 | 112 | 173.4 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | A607 R806 C808 | A607-C609 PolarHBondContact O-N 2.69Å; C609-R806 HydrophobicContact CB-CB 3.79Å; C609-C808 HydrophobicContact CB-CB 3.86Å; C609-C808 WeakPolarHBondContact CB-SG 3.36Å; C609-C808 WeakPolarHBondContact SG-CB 3.2Å; C609-C808 CovalentContact SG-SG 2.03Å; C609-C808 PolarHBondContact SG-SG 3.38Å | ||
| 610 | K | 70.8 | Confident | 71.1 | Confident | 103 Ų | 103 | 45 Ų | 45 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 154 | -179.1 | -52.5 | -162 | -177.5 | -150.9 | 0 | 110.9 | E608 A612 R806 K807 | E608-K610 PolarHBondContact O-N 2.66Å; E608-K610 VanDerWaalsContact O-N 3.16Å; K610-A612 PolarHBondContact O-N 2.85Å; K610-R806 CarbonylContact O-C 3.55Å; K610-R806 WeakPolarHBondContact O-CA 3.43Å; K610-K807 PolarHBondContact N-O 3.1Å; K610-K807 PolarHBondContact O-N 3.39Å |
| 611 | C | 83.2 | Confident | 73.1 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.1 | 168.8 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | H649 V651 C803 | C611-H649 HydrophobicContact CB-CB 4.01Å; C611-V651 HydrophobicContact CB-CG2 3.62Å; C611-C803 HydrophobicContact CB-CB 3.66Å; C611-C803 WeakPolarHBondContact CB-SG 3.19Å; C611-C803 WeakPolarHBondContact SG-CA 3.25Å; C611-C803 WeakPolarHBondContact SG-CB 3.15Å; C611-C803 CovalentContact SG-SG 2.04Å; C611-C803 PolarHBondContact SG-SG 2.83Å |
| 612 | A | 82.3 | Confident | 75 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 149.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | K610 V614 A805 K807 | K610-A612 PolarHBondContact O-N 2.85Å; A612-V614 PolarHBondContact O-N 3.15Å; A612-A805 HydrophobicContact CB-CB 4.13Å; A612-A805 VanDerWaalsContact CB-O 3.25Å; A612-A805 WeakPolarHBondContact CB-O 3.45Å; A612-A805 PolarHBondContact N-O 2.77Å; A612-K807 HydrophobicContact CB-CB 4.36Å |
| 613 | P | 89.3 | Confident | 76.9 | Confident | 45 Ų | 45 | 30 Ų | 30 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -52.8 | 129.7 | 177 | -24.7 | 33.6 | 0 | 0 | 0 | 111.1 | E657 S658 K716 | P613-E657 HydrophobicContact CB-CG 4.49Å; P613-E657 WeakPolarHBondContact CB-O 3.37Å; P613-S658 WeakPolarHBondContact CA-OG 3.44Å; P613-K716 HydrophobicContact CB-CD 4.38Å; P613-K716 HydrophobicContact CB-CG 4.47Å; P613-K716 WeakPolarHBondContact O-CB 3.21Å |
| 614 | V | 92.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.7 | -167.3 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | A612 L616 V651 F653 S658 T659 N718 V720 I802 | A612-V614 PolarHBondContact O-N 3.15Å; V614-L616 HydrophobicContact CG2-CB 4.36Å; V614-V651 HydrophobicContact CG1-CG1 3.84Å; V614-F653 HydrophobicContact CG1-CE1 4.24Å; V614-F653 HydrophobicContact CG1-CZ 4.45Å; V614-S658 PolarHBondContact N-OG 2.86Å; V614-S658 CarbonylContact O-C 3.57Å; V614-S658 WeakPolarHBondContact O-CA 3.46Å; V614-S658 WeakPolarHBondContact O-CB 3.35Å; V614-T659 PolarHBondContact O-N 2.92Å; V614-N718 WeakPolarHBondContact CA-O 3.36Å; V614-N718 WeakPolarHBondContact CG2-O 3.4Å; V614-V720 HydrophobicContact CG2-CG2 4.03Å; V614-I802 HydrophobicContact CG2-CG2 3.94Å |
| 615 | D | 94.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112.2 | 161.6 | -73 | -27.8 | 0 | 0 | 0 | 107.8 | T659 M714 T715 K716 N718 V720 | D615-T659 VanDerWaalsContact CG-OG1 3.28Å; D615-T659 WeakPolarHBondContact OD1-CB 3.36Å; D615-T659 WeakPolarHBondContact OD1-CG2 3.43Å; D615-T659 PolarHBondContact OD1-N 3.08Å; D615-T659 PolarHBondContact OD1-OG1 2.77Å; D615-M714 HydrophobicContact CB-CB 3.84Å; D615-M714 HydrophobicContact CB-CE 3.94Å; D615-M714 HydrophobicContact CB-CG 3.54Å; D615-M714 HydrophobicContact CB-SD 3.59Å; D615-M714 VanDerWaalsContact CB-SD 3.59Å; D615-M714 VanDerWaalsContact OD2-C 3.31Å; D615-M714 WeakPolarHBondContact OD2-CA 3.37Å; D615-M714 VanDerWaalsContact OD2-CB 3.27Å; D615-M714 WeakPolarHBondContact OD2-CB 3.46Å; D615-T715 PolarHBondContact OD2-N 2.91Å; D615-K716 HydrophobicContact CB-CG 4.49Å; D615-K716 VanDerWaalsContact CG-CG 3.48Å; D615-K716 WeakPolarHBondContact OD1-CG 3.28Å; D615-K716 WeakPolarHBondContact OD2-CG 3.28Å; D615-K716 PolarHBondContact OD2-N 2.95Å; D615-N718 PolarHBondContact N-O 3.11Å; D615-V720 PolarHBondContact O-N 2.76Å |
| 616 | L | 96.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.6 | -172.7 | -179.1 | 61.1 | 0 | 0 | 0 | 110.5 | V614 F618 L645 F653 T659 V660 G661 V720 L722 I802 | V614-L616 HydrophobicContact CG2-CB 4.36Å; L616-F618 HydrophobicContact CD2-CE2 3.59Å; L616-F618 HydrophobicContact CD2-CZ 3.78Å; L616-F618 HydrophobicContact CG-CD2 4.38Å; L616-F618 HydrophobicContact CG-CE2 3.83Å; L616-F618 HydrophobicContact CG-CZ 4.28Å; L616-L645 HydrophobicContact CD2-CD1 3.8Å; L616-F653 HydrophobicContact CD2-CZ 4.38Å; L616-T659 PolarHBondContact N-O 3.43Å; L616-V660 HydrophobicContact CB-CG2 4.35Å; L616-V660 HydrophobicContact CD2-CG2 4.39Å; L616-V660 HydrophobicContact CG-CG2 4.39Å; L616-V660 CarbonylContact O-C 3.5Å; L616-V660 VanDerWaalsContact O-CA 3.24Å; L616-V660 WeakPolarHBondContact O-CA 3.48Å; L616-G661 PolarHBondContact O-N 3.06Å; L616-V720 WeakPolarHBondContact CA-O 3.49Å; L616-V720 HydrophobicContact CD1-CB 4.01Å; L616-V720 HydrophobicContact CD1-CG1 4.08Å; L616-L722 HydrophobicContact CD1-CD1 4.49Å; L616-L722 HydrophobicContact CD1-CG 4.45Å; L616-I802 HydrophobicContact CD1-CD1 4.31Å; L616-I802 HydrophobicContact CD2-CD1 4.43Å |
| 617 | V | 97.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.2 | 170.2 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | V619 G661 V663 T706 I710 I711 M714 V720 A721 L722 | V617-V619 HydrophobicContact CG2-CG2 4.47Å; V617-G661 WeakPolarHBondContact CA-O 3.32Å; V617-V663 HydrophobicContact CG2-CG2 4.35Å; V617-T706 HydrophobicContact CG1-CG2 4.06Å; V617-T706 HydrophobicContact CG2-CG2 3.8Å; V617-I710 HydrophobicContact CB-CG2 4.23Å; V617-I710 HydrophobicContact CG2-CB 4.43Å; V617-I710 HydrophobicContact CG2-CD1 3.84Å; V617-I710 HydrophobicContact CG2-CG2 4.18Å; V617-I711 HydrophobicContact CG1-CD1 4.4Å; V617-I711 HydrophobicContact CG1-CG1 4.29Å; V617-M714 HydrophobicContact CB-CE 3.79Å; V617-M714 HydrophobicContact CG1-CE 3.78Å; V617-V720 PolarHBondContact N-O 2.86Å; V617-A721 HydrophobicContact CG1-CB 3.58Å; V617-A721 CarbonylContact O-C 3.54Å; V617-A721 WeakPolarHBondContact O-CA 3.48Å; V617-L722 PolarHBondContact O-N 3.27Å |
| 618 | F | 97.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.7 | 168.2 | -61.8 | -95.9 | 0 | 0 | 0 | 108.7 | L616 V620 F637 I638 V641 I642 V660 G661 V662 V663 L722 L724 | L616-F618 HydrophobicContact CD2-CE2 3.59Å; L616-F618 HydrophobicContact CD2-CZ 3.78Å; L616-F618 HydrophobicContact CG-CD2 4.38Å; L616-F618 HydrophobicContact CG-CE2 3.83Å; L616-F618 HydrophobicContact CG-CZ 4.28Å; F618-V620 HydrophobicContact CB-CG2 3.96Å; F618-F637 HydrophobicContact CD1-CE1 4.4Å; F618-F637 HydrophobicContact CE1-CD1 4.43Å; F618-F637 HydrophobicContact CE1-CE1 4.04Å; F618-I638 HydrophobicContact CB-CD1 4.4Å; F618-I638 HydrophobicContact CB-CG1 4.17Å; F618-I638 HydrophobicContact CD1-CB 4.47Å; F618-I638 HydrophobicContact CD1-CG1 3.77Å; F618-I638 HydrophobicContact CD2-CG1 4.38Å; F618-I638 HydrophobicContact CD2-CG2 3.82Å; F618-I638 HydrophobicContact CE1-CB 4.45Å; F618-I638 HydrophobicContact CE1-CG1 4.18Å; F618-I638 HydrophobicContact CE2-CG2 3.84Å; F618-I638 HydrophobicContact CG-CG1 3.87Å; F618-I638 HydrophobicContact CG-CG2 4.18Å; F618-I638 HydrophobicContact CZ-CG2 4.2Å; F618-V641 HydrophobicContact CE1-CB 4.32Å; F618-V641 HydrophobicContact CE1-CG1 4.27Å; F618-V641 HydrophobicContact CZ-CB 4.01Å; F618-V641 HydrophobicContact CZ-CG1 3.81Å; F618-I642 HydrophobicContact CE2-CD1 4.36Å; F618-I642 HydrophobicContact CE2-CG1 4.3Å; F618-V660 HydrophobicContact CD2-CG2 4.23Å; F618-V660 HydrophobicContact CE2-CG2 3.96Å; F618-G661 PolarHBondContact N-O 3.33Å; F618-V662 HydrophobicContact CB-CG1 4.29Å; F618-V662 HydrophobicContact CB-CG2 4.3Å; F618-V662 HydrophobicContact CD2-CG2 4.43Å; F618-V662 CarbonylContact O-C 3.57Å; F618-V662 VanDerWaalsContact O-CA 3.3Å; F618-V662 WeakPolarHBondContact O-CA 3.43Å; F618-V663 PolarHBondContact O-N 2.88Å; F618-L722 CarbonylContact C-O 3.56Å; F618-L722 WeakPolarHBondContact CA-O 3.32Å; F618-L722 HydrophobicContact CD1-CB 4.06Å; F618-L722 HydrophobicContact CD1-CD1 4.17Å; F618-L722 HydrophobicContact CE1-CB 4.44Å; F618-L722 HydrophobicContact CE1-CD1 3.7Å; F618-L722 HydrophobicContact CZ-CD1 4.4Å; F618-L724 HydrophobicContact CD1-CD1 4.44Å |
| 619 | V | 96.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.8 | 170.3 | -172.7 | 0 | 0 | 0 | 0 | 106.1 | V617 V663 Y665 A702 T706 L722 V723 L724 | V617-V619 HydrophobicContact CG2-CG2 4.47Å; V619-V663 CarbonylContact C-O 2.86Å; V619-V663 WeakPolarHBondContact CA-O 3.41Å; V619-Y665 HydrophobicContact CG1-CD1 3.84Å; V619-Y665 HydrophobicContact CG1-CE1 3.83Å; V619-A702 HydrophobicContact CG1-CB 4.33Å; V619-T706 HydrophobicContact CG2-CG2 3.7Å; V619-T706 WeakPolarHBondContact CG2-OG1 3.25Å; V619-L722 PolarHBondContact N-O 2.72Å; V619-V723 HydrophobicContact CB-CB 4.46Å; V619-V723 HydrophobicContact CB-CG1 4.24Å; V619-V723 HydrophobicContact CB-CG2 4.2Å; V619-V723 HydrophobicContact CG1-CG1 4.45Å; V619-V723 HydrophobicContact CG2-CG2 4.35Å; V619-V723 CarbonylContact O-C 3.54Å; V619-V723 WeakPolarHBondContact O-CA 3.42Å; V619-L724 PolarHBondContact O-N 3.33Å |
| 620 | V | 95.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 116.1 | -162.7 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | F618 F631 A634 I638 V662 V663 Q664 Y665 | F618-V620 HydrophobicContact CB-CG2 3.96Å; V620-F631 HydrophobicContact CG1-CD2 4.32Å; V620-F631 HydrophobicContact CG1-CE2 3.92Å; V620-A634 HydrophobicContact CG1-CB 3.95Å; V620-I638 HydrophobicContact CG2-CD1 3.77Å; V620-V662 HydrophobicContact CG2-CG1 3.87Å; V620-V663 PolarHBondContact N-O 2.96Å; V620-Q664 WeakPolarHBondContact O-CA 3.29Å; V620-Y665 WeakPolarHBondContact O-CD1 3.11Å; V620-Y665 PolarHBondContact O-N 2.85Å |
| 621 | D | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.9 | 174.8 | -166.1 | -20.4 | 0 | 0 | 0 | 111.2 | S623 I626 Y665 T697 L724 T725 D726 | D621-S623 WeakPolarHBondContact OD1-CB 3.47Å; D621-S623 PolarHBondContact OD1-N 2.89Å; D621-S623 PolarHBondContact OD1-OG 2.89Å; D621-I626 HydrophobicContact CB-CD1 3.89Å; D621-I626 HydrophobicContact CB-CG1 4.03Å; D621-I626 WeakPolarHBondContact OD1-CG1 3.27Å; D621-Y665 HydrophobicContact CB-CE1 3.94Å; D621-Y665 HydrophobicContact CB-CE2 4.48Å; D621-T697 WeakPolarHBondContact OD2-CG2 3.35Å; D621-L724 WeakPolarHBondContact CB-O 3.32Å; D621-L724 PolarHBondContact N-O 3.03Å; D621-T725 PolarHBondContact OD2-OG1 2.8Å; D621-T725 VanDerWaalsContact OD2-OG1 3.06Å; D621-D726 PolarHBondContact OD2-N 3.25Å |
| 622 | S | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -132.1 | 24 | 177.9 | 71.1 | 0 | 0 | 0 | 0 | 112.4 | Q664 Y665 W692 A694 | S622-Q664 VanDerWaalsContact OG-CG 3.28Å; S622-Q664 WeakPolarHBondContact OG-CG 3.48Å; S622-Q664 PolarHBondContact OG-NE2 2.88Å; S622-Y665 WeakPolarHBondContact CA-O 3.37Å; S622-Y665 WeakPolarHBondContact CB-O 3.3Å; S622-Y665 PolarHBondContact N-O 2.95Å; S622-Y665 PolarHBondContact OG-O 3.22Å; S622-W692 PolarHBondContact O-NE1 3.25Å; S622-W692 VanDerWaalsContact O-NE1 3.11Å; S622-A694 PolarHBondContact O-N 2.98Å | ||
| 623 | S | 90.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -61.9 | 170.8 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | D621 S625 I626 W692 E695 A696 T697 | D621-S623 WeakPolarHBondContact OD1-CB 3.47Å; D621-S623 PolarHBondContact OD1-N 2.89Å; D621-S623 PolarHBondContact OD1-OG 2.89Å; S623-S625 VanDerWaalsContact C-N 3.28Å; S623-S625 PolarHBondContact O-N 3.39Å; S623-S625 PolarHBondContact OG-OG 2.85Å; S623-I626 PolarHBondContact O-N 3.37Å; S623-W692 PolarHBondContact O-NE1 2.97Å; S623-E695 WeakPolarHBondContact CA-O 3.3Å; S623-E695 WeakPolarHBondContact CB-O 3.38Å; S623-A696 WeakPolarHBondContact CB-O 3.19Å; S623-T697 WeakPolarHBondContact CB-OG1 3.5Å; S623-T697 PolarHBondContact OG-OG1 2.84Å |
| 624 | E | 85.6 | Confident | 91.3 | Very high | 125 Ų | 125 | 22 Ų | 22 | 58% | 0.584 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.7 | 178 | -166.3 | -175.4 | 176.9 | 0 | 0 | 112.6 | I626 G627 E695 | E624-I626 VanDerWaalsContact C-N 3.28Å; E624-I626 PolarHBondContact O-N 2.85Å; E624-G627 PolarHBondContact O-N 3.48Å; E624-E695 PolarHBondContact N-O 2.86Å |
| 625 | S | 84.7 | Confident | 91.4 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.8 | -177.7 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | S623 D726 Y756 | S623-S625 VanDerWaalsContact C-N 3.28Å; S623-S625 PolarHBondContact O-N 3.39Å; S623-S625 PolarHBondContact OG-OG 2.85Å; S625-D726 WeakPolarHBondContact CB-OD2 3.23Å; S625-D726 PolarHBondContact OG-OD2 2.88Å; S625-Y756 VanDerWaalsContact O-CD1 3.3Å; S625-Y756 WeakPolarHBondContact O-CD1 3.15Å |
| 626 | I | 86.6 | Confident | 91.4 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -53.9 | 171.3 | -55.4 | -69.9 | 0 | 0 | 0 | 109.5 | D621 S623 E624 N630 F631 D726 F786 | D621-I626 HydrophobicContact CB-CD1 3.89Å; D621-I626 HydrophobicContact CB-CG1 4.03Å; D621-I626 WeakPolarHBondContact OD1-CG1 3.27Å; S623-I626 PolarHBondContact O-N 3.37Å; E624-I626 VanDerWaalsContact C-N 3.28Å; E624-I626 PolarHBondContact O-N 2.85Å; I626-N630 HydrophobicContact CG2-CB 3.89Å; I626-N630 VanDerWaalsContact O-CB 3.29Å; I626-N630 WeakPolarHBondContact O-CB 3.2Å; I626-N630 PolarHBondContact O-ND2 3.18Å; I626-F631 HydrophobicContact CG2-CB 4.24Å; I626-D726 HydrophobicContact CD1-CB 4Å; I626-F786 HydrophobicContact CD1-CZ 3.73Å; I626-F786 HydrophobicContact CG2-CE1 4.12Å; I626-F786 HydrophobicContact CG2-CZ 3.88Å |
| 627 | G | 85.1 | Confident | 91.4 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 17% | 0.165 | 16% | 0.162 | C | C | . | . | trans | 81.8 | 147.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E624 T629 N630 F631 | E624-G627 PolarHBondContact O-N 3.48Å; G627-T629 VanDerWaalsContact C-N 3.31Å; G627-T629 PolarHBondContact O-N 3.01Å; G627-N630 PolarHBondContact O-N 3.36Å; G627-F631 PolarHBondContact O-N 2.98Å | ||
| 628 | A | 84.7 | Confident | 91.4 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -54.8 | -39.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F631 A632 W692 | A628-F631 PolarHBondContact O-N 3.18Å; A628-A632 PolarHBondContact O-N 2.76Å; A628-W692 HydrophobicContact CB-CD2 3.98Å; A628-W692 HydrophobicContact CB-CE3 3.7Å; A628-W692 HydrophobicContact CB-CG 4.39Å; A628-W692 HydrophobicContact CB-CZ3 4.16Å |
| 629 | T | 85.9 | Confident | 91.3 | Very high | 114 Ų | 114 | 27.8 Ų | 27.8 | 70% | 0.699 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -66.4 | -44.7 | -179.5 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | G627 A632 L633 | G627-T629 VanDerWaalsContact C-N 3.31Å; G627-T629 PolarHBondContact O-N 3.01Å; T629-A632 WeakPolarHBondContact O-CB 3.34Å; T629-A632 PolarHBondContact O-N 3.21Å; T629-L633 PolarHBondContact O-N 3.12Å |
| 630 | N | 89.1 | Confident | 91.2 | Very high | 37 Ų | 37 | 30 Ų | 30 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.5 | -35 | 177.7 | -69.3 | -29.8 | 0 | 0 | 0 | 111.3 | I626 G627 A632 L633 A634 F786 | I626-N630 HydrophobicContact CG2-CB 3.89Å; I626-N630 VanDerWaalsContact O-CB 3.29Å; I626-N630 WeakPolarHBondContact O-CB 3.2Å; I626-N630 PolarHBondContact O-ND2 3.18Å; G627-N630 PolarHBondContact O-N 3.36Å; N630-A632 VanDerWaalsContact C-N 3.29Å; N630-A632 PolarHBondContact O-N 3.33Å; N630-L633 WeakPolarHBondContact O-CB 3.13Å; N630-L633 PolarHBondContact O-N 2.86Å; N630-A634 PolarHBondContact O-N 2.77Å; N630-F786 HydrophobicContact CB-CB 4.2Å; N630-F786 HydrophobicContact CB-CD1 3.82Å; N630-F786 HydrophobicContact CB-CD2 3.59Å; N630-F786 HydrophobicContact CB-CE1 4.08Å; N630-F786 HydrophobicContact CB-CE2 3.89Å; N630-F786 HydrophobicContact CB-CG 3.58Å; N630-F786 HydrophobicContact CB-CZ 4.14Å; N630-F786 VanDerWaalsContact CG-CD2 3.45Å; N630-F786 WeakPolarHBondContact O-CD1 3.42Å |
| 631 | F | 92.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 172.3 | -175.4 | -106.1 | 0 | 0 | 0 | 112.2 | V620 I626 G627 A628 A634 K635 Q664 M690 W692 | V620-F631 HydrophobicContact CG1-CD2 4.32Å; V620-F631 HydrophobicContact CG1-CE2 3.92Å; I626-F631 HydrophobicContact CG2-CB 4.24Å; G627-F631 PolarHBondContact O-N 2.98Å; A628-F631 PolarHBondContact O-N 3.18Å; F631-A634 PolarHBondContact O-N 3.1Å; F631-K635 HydrophobicContact CD1-CD 4.48Å; F631-K635 HydrophobicContact CE1-CD 3.88Å; F631-K635 HydrophobicContact CE1-CG 4.19Å; F631-K635 HydrophobicContact CZ-CD 4.31Å; F631-K635 HydrophobicContact CZ-CG 4.27Å; F631-K635 PolarHBondContact O-N 3.46Å; F631-K635 VanDerWaalsContact O-N 3.1Å; F631-Q664 HydrophobicContact CE2-CG 3.96Å; F631-Q664 HydrophobicContact CZ-CG 3.93Å; F631-Q664 VanDerWaalsContact CZ-OE1 3.3Å; F631-M690 HydrophobicContact CZ-CB 4.43Å; F631-W692 HydrophobicContact CB-CG 4.41Å; F631-W692 HydrophobicContact CD1-CB 3.79Å; F631-W692 HydrophobicContact CD1-CG 4.48Å; F631-W692 HydrophobicContact CE1-CB 4.41Å; F631-W692 HydrophobicContact CG-CB 4.27Å |
| 632 | A | 90.6 | Very high | 91.4 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | A628 T629 N630 A634 K635 D636 | A628-A632 PolarHBondContact O-N 2.76Å; T629-A632 WeakPolarHBondContact O-CB 3.34Å; T629-A632 PolarHBondContact O-N 3.21Å; N630-A632 VanDerWaalsContact C-N 3.29Å; N630-A632 PolarHBondContact O-N 3.33Å; A632-A634 VanDerWaalsContact C-N 3.27Å; A632-A634 PolarHBondContact O-N 3.45Å; A632-K635 WeakPolarHBondContact O-CB 3.45Å; A632-K635 PolarHBondContact O-N 3.3Å; A632-D636 PolarHBondContact O-N 3.04Å |
| 633 | L | 91.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 33.1 Ų | 33.1 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.2 | -35.8 | 174.5 | -64.7 | 174 | 0 | 0 | 0 | 112.6 | T629 N630 D636 F637 F786 L790 | T629-L633 PolarHBondContact O-N 3.12Å; N630-L633 WeakPolarHBondContact O-CB 3.13Å; N630-L633 PolarHBondContact O-N 2.86Å; L633-D636 PolarHBondContact O-N 2.94Å; L633-F637 WeakPolarHBondContact O-CB 3.33Å; L633-F637 PolarHBondContact O-N 2.68Å; L633-F786 HydrophobicContact CB-CB 4.2Å; L633-F786 HydrophobicContact CD1-CB 3.75Å; L633-L790 HydrophobicContact CD2-CD1 3.92Å |
| 634 | A | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V620 N630 F631 A632 I638 L724 | V620-A634 HydrophobicContact CG1-CB 3.95Å; N630-A634 PolarHBondContact O-N 2.77Å; F631-A634 PolarHBondContact O-N 3.1Å; A632-A634 VanDerWaalsContact C-N 3.27Å; A632-A634 PolarHBondContact O-N 3.45Å; A634-I638 WeakPolarHBondContact O-CD1 3.35Å; A634-I638 VanDerWaalsContact O-CG1 3.28Å; A634-I638 WeakPolarHBondContact O-CG1 3.47Å; A634-I638 PolarHBondContact O-N 3.28Å; A634-L724 HydrophobicContact CB-CD2 4.12Å |
| 635 | K | 94.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 172.7 | -68.9 | -171.9 | -71.5 | -179.5 | 0 | 112.1 | F631 A632 F637 I638 I639 V687 R688 M690 | F631-K635 HydrophobicContact CD1-CD 4.48Å; F631-K635 HydrophobicContact CE1-CD 3.88Å; F631-K635 HydrophobicContact CE1-CG 4.19Å; F631-K635 HydrophobicContact CZ-CD 4.31Å; F631-K635 HydrophobicContact CZ-CG 4.27Å; F631-K635 PolarHBondContact O-N 3.46Å; F631-K635 VanDerWaalsContact O-N 3.1Å; A632-K635 WeakPolarHBondContact O-CB 3.45Å; A632-K635 PolarHBondContact O-N 3.3Å; K635-F637 VanDerWaalsContact C-N 3.33Å; K635-F637 PolarHBondContact O-N 3.13Å; K635-I638 PolarHBondContact O-N 3.09Å; K635-I639 WeakPolarHBondContact O-CG1 3.49Å; K635-I639 PolarHBondContact O-N 3Å; K635-V687 HydrophobicContact CB-CG1 4.48Å; K635-V687 WeakPolarHBondContact CD-O 3.39Å; K635-R688 PolarHBondContact NZ-O 2.94Å; K635-M690 HydrophobicContact CD-CB 4.2Å; K635-M690 HydrophobicContact CD-CE 4.48Å; K635-M690 HydrophobicContact CG-CE 4.31Å; K635-M690 PolarHBondContact NZ-O 3.16Å |
| 636 | D | 94.3 | Very high | 92 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.8 | -69.4 | -27.7 | 0 | 0 | 0 | 111 | A632 L633 I638 I639 T640 L790 | A632-D636 PolarHBondContact O-N 3.04Å; L633-D636 PolarHBondContact O-N 2.94Å; D636-I638 PolarHBondContact O-N 3.07Å; D636-I639 PolarHBondContact O-N 2.96Å; D636-T640 WeakPolarHBondContact O-CB 3.39Å; D636-T640 PolarHBondContact O-N 3.22Å; D636-T640 PolarHBondContact O-OG1 2.86Å; D636-L790 HydrophobicContact CB-CD1 4.35Å; D636-L790 HydrophobicContact CB-CD2 4.29Å |
| 637 | F | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -47.5 | 174.2 | 170.9 | -106.6 | 0 | 0 | 0 | 113.1 | F618 L633 K635 I639 T640 V641 L724 L751 L789 L790 F794 L795 I798 | F618-F637 HydrophobicContact CD1-CE1 4.4Å; F618-F637 HydrophobicContact CE1-CD1 4.43Å; F618-F637 HydrophobicContact CE1-CE1 4.04Å; L633-F637 WeakPolarHBondContact O-CB 3.33Å; L633-F637 PolarHBondContact O-N 2.68Å; K635-F637 VanDerWaalsContact C-N 3.33Å; K635-F637 PolarHBondContact O-N 3.13Å; F637-I639 VanDerWaalsContact C-N 3.3Å; F637-I639 PolarHBondContact O-N 3.38Å; F637-T640 PolarHBondContact O-N 2.8Å; F637-V641 HydrophobicContact CD1-CG2 4.48Å; F637-V641 HydrophobicContact CD2-CG2 3.85Å; F637-V641 HydrophobicContact CE1-CG2 4.1Å; F637-V641 HydrophobicContact CE2-CG2 3.42Å; F637-V641 VanDerWaalsContact CE2-CG2 3.42Å; F637-V641 HydrophobicContact CG-CG2 4.4Å; F637-V641 HydrophobicContact CZ-CG2 3.58Å; F637-V641 WeakPolarHBondContact O-CG2 3.45Å; F637-V641 PolarHBondContact O-N 2.99Å; F637-L724 HydrophobicContact CD1-CD1 4.37Å; F637-L724 HydrophobicContact CD1-CD2 3.71Å; F637-L724 HydrophobicContact CE1-CD1 4.03Å; F637-L724 HydrophobicContact CE1-CD2 4.06Å; F637-L724 HydrophobicContact CE1-CG 4.46Å; F637-L751 HydrophobicContact CE1-CD1 3.93Å; F637-L751 HydrophobicContact CZ-CD1 3.81Å; F637-L789 HydrophobicContact CB-CB 4.03Å; F637-L789 HydrophobicContact CB-CD1 4.19Å; F637-L789 HydrophobicContact CD1-CD2 4.4Å; F637-L789 HydrophobicContact CD2-CB 3.74Å; F637-L789 HydrophobicContact CD2-CD2 4.12Å; F637-L789 HydrophobicContact CD2-CG 4.44Å; F637-L789 WeakPolarHBondContact CD2-O 3.35Å; F637-L789 HydrophobicContact CE1-CD2 4.45Å; F637-L789 HydrophobicContact CE2-CB 4.41Å; F637-L789 HydrophobicContact CE2-CD2 4.14Å; F637-L789 HydrophobicContact CG-CB 3.99Å; F637-L789 HydrophobicContact CG-CD1 4.32Å; F637-L789 HydrophobicContact CG-CD2 4.21Å; F637-L789 HydrophobicContact CG-CG 4.43Å; F637-L789 HydrophobicContact CZ-CD2 4.29Å; F637-L790 HydrophobicContact CB-CD2 4.22Å; F637-F794 HydrophobicContact CE2-CD1 4.3Å; F637-F794 AromaticContact CE2-CE1 3.67Å; F637-F794 HydrophobicContact CE2-CE1 3.67Å; F637-F794 HydrophobicContact CZ-CE1 4.11Å; F637-L795 HydrophobicContact CD2-CD2 3.87Å; F637-L795 HydrophobicContact CE2-CD2 3.83Å; F637-I798 HydrophobicContact CZ-CG2 4.39Å |
| 638 | I | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.8 | -48.6 | 177.5 | -65.6 | 160.9 | 0 | 0 | 0 | 110.3 | F618 V620 A634 K635 D636 I642 V662 V687 | F618-I638 HydrophobicContact CB-CD1 4.4Å; F618-I638 HydrophobicContact CB-CG1 4.17Å; F618-I638 HydrophobicContact CD1-CB 4.47Å; F618-I638 HydrophobicContact CD1-CG1 3.77Å; F618-I638 HydrophobicContact CD2-CG1 4.38Å; F618-I638 HydrophobicContact CD2-CG2 3.82Å; F618-I638 HydrophobicContact CE1-CB 4.45Å; F618-I638 HydrophobicContact CE1-CG1 4.18Å; F618-I638 HydrophobicContact CE2-CG2 3.84Å; F618-I638 HydrophobicContact CG-CG1 3.87Å; F618-I638 HydrophobicContact CG-CG2 4.18Å; F618-I638 HydrophobicContact CZ-CG2 4.2Å; V620-I638 HydrophobicContact CG2-CD1 3.77Å; A634-I638 WeakPolarHBondContact O-CD1 3.35Å; A634-I638 VanDerWaalsContact O-CG1 3.28Å; A634-I638 WeakPolarHBondContact O-CG1 3.47Å; A634-I638 PolarHBondContact O-N 3.28Å; K635-I638 PolarHBondContact O-N 3.09Å; D636-I638 PolarHBondContact O-N 3.07Å; I638-I642 HydrophobicContact CG2-CD1 3.94Å; I638-I642 WeakPolarHBondContact O-CD1 3.43Å; I638-I642 VanDerWaalsContact O-CG1 3.26Å; I638-I642 WeakPolarHBondContact O-CG1 3.45Å; I638-I642 PolarHBondContact O-N 3.13Å; I638-I642 VanDerWaalsContact O-N 3.12Å; I638-V662 HydrophobicContact CD1-CG1 3.98Å; I638-V662 HydrophobicContact CD1-CG2 4.14Å; I638-V662 HydrophobicContact CG2-CG2 3.93Å; I638-V687 HydrophobicContact CB-CG1 4.47Å; I638-V687 HydrophobicContact CD1-CG1 4.37Å; I638-V687 HydrophobicContact CG2-CG1 4.22Å |
| 639 | I | 96.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | -178.3 | -62.7 | 168.6 | 0 | 0 | 0 | 110.3 | K635 D636 F637 I642 D643 K684 V687 R688 | K635-I639 WeakPolarHBondContact O-CG1 3.49Å; K635-I639 PolarHBondContact O-N 3Å; D636-I639 PolarHBondContact O-N 2.96Å; F637-I639 VanDerWaalsContact C-N 3.3Å; F637-I639 PolarHBondContact O-N 3.38Å; I639-I642 WeakPolarHBondContact O-CB 3.33Å; I639-I642 PolarHBondContact O-N 2.91Å; I639-D643 PolarHBondContact O-N 2.74Å; I639-K684 HydrophobicContact CG2-CD 4.09Å; I639-K684 HydrophobicContact CG2-CG 4.44Å; I639-V687 HydrophobicContact CD1-CG1 4.28Å; I639-V687 HydrophobicContact CG1-CG1 4.15Å; I639-R688 HydrophobicContact CD1-CG 3.67Å |
| 640 | T | 95.5 | Very high | 91.4 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 29% | 0.288 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 179.2 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | D636 F637 D643 R644 L795 | D636-T640 WeakPolarHBondContact O-CB 3.39Å; D636-T640 PolarHBondContact O-N 3.22Å; D636-T640 PolarHBondContact O-OG1 2.86Å; F637-T640 PolarHBondContact O-N 2.8Å; T640-D643 PolarHBondContact O-N 3.2Å; T640-R644 WeakPolarHBondContact O-CG 3.47Å; T640-R644 PolarHBondContact O-N 3.11Å; T640-L795 HydrophobicContact CG2-CD1 3.56Å; T640-L795 HydrophobicContact CG2-CD2 4.06Å; T640-L795 HydrophobicContact CG2-CG 4.47Å |
| 641 | V | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | F618 F637 R644 L645 L795 I798 T799 I802 | F618-V641 HydrophobicContact CE1-CB 4.32Å; F618-V641 HydrophobicContact CE1-CG1 4.27Å; F618-V641 HydrophobicContact CZ-CB 4.01Å; F618-V641 HydrophobicContact CZ-CG1 3.81Å; F637-V641 HydrophobicContact CD1-CG2 4.48Å; F637-V641 HydrophobicContact CD2-CG2 3.85Å; F637-V641 HydrophobicContact CE1-CG2 4.1Å; F637-V641 HydrophobicContact CE2-CG2 3.42Å; F637-V641 VanDerWaalsContact CE2-CG2 3.42Å; F637-V641 HydrophobicContact CG-CG2 4.4Å; F637-V641 HydrophobicContact CZ-CG2 3.58Å; F637-V641 WeakPolarHBondContact O-CG2 3.45Å; F637-V641 PolarHBondContact O-N 2.99Å; V641-R644 PolarHBondContact O-N 3.32Å; V641-L645 HydrophobicContact CG1-CD1 3.9Å; V641-L645 HydrophobicContact CG1-CG 4.44Å; V641-L645 WeakPolarHBondContact O-CB 3.4Å; V641-L645 VanDerWaalsContact O-CG 3.22Å; V641-L645 WeakPolarHBondContact O-CG 3.24Å; V641-L645 PolarHBondContact O-N 3.28Å; V641-L795 HydrophobicContact CG2-CD2 3.69Å; V641-I798 HydrophobicContact CG2-CG2 4.37Å; V641-T799 HydrophobicContact CG1-CG2 4.38Å; V641-I802 HydrophobicContact CG1-CD1 3.66Å |
| 642 | I | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.7 | -70.9 | 166.2 | 0 | 0 | 0 | 110.8 | F618 I638 I639 L645 I646 F653 V660 L680 F683 | F618-I642 HydrophobicContact CE2-CD1 4.36Å; F618-I642 HydrophobicContact CE2-CG1 4.3Å; I638-I642 HydrophobicContact CG2-CD1 3.94Å; I638-I642 WeakPolarHBondContact O-CD1 3.43Å; I638-I642 VanDerWaalsContact O-CG1 3.26Å; I638-I642 WeakPolarHBondContact O-CG1 3.45Å; I638-I642 PolarHBondContact O-N 3.13Å; I638-I642 VanDerWaalsContact O-N 3.12Å; I639-I642 WeakPolarHBondContact O-CB 3.33Å; I639-I642 PolarHBondContact O-N 2.91Å; I642-L645 PolarHBondContact O-N 3Å; I642-I646 HydrophobicContact CG2-CD1 3.96Å; I642-I646 WeakPolarHBondContact O-CD1 3.22Å; I642-I646 VanDerWaalsContact O-CG1 3.31Å; I642-I646 WeakPolarHBondContact O-CG1 3.19Å; I642-I646 PolarHBondContact O-N 2.54Å; I642-I646 VanDerWaalsContact O-N 3.09Å; I642-F653 HydrophobicContact CB-CE2 4.43Å; I642-F653 HydrophobicContact CG2-CD2 3.94Å; I642-F653 HydrophobicContact CG2-CE2 3.94Å; I642-V660 HydrophobicContact CD1-CG1 4.4Å; I642-V660 HydrophobicContact CD1-CG2 3.92Å; I642-V660 HydrophobicContact CG1-CG2 4.29Å; I642-L680 HydrophobicContact CG2-CD1 4.01Å; I642-L680 HydrophobicContact CG2-CD2 4.03Å; I642-L680 HydrophobicContact CG2-CG 4.49Å; I642-F683 HydrophobicContact CD1-CD1 4.44Å; I642-F683 HydrophobicContact CD1-CE1 3.68Å |
| 643 | D | 94.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.8 | -38.9 | -179.5 | -83.6 | -43.5 | 0 | 0 | 0 | 113.3 | I639 T640 I646 K647 K684 | I639-D643 PolarHBondContact O-N 2.74Å; T640-D643 PolarHBondContact O-N 3.2Å; D643-I646 PolarHBondContact O-N 3.19Å; D643-K647 VanDerWaalsContact O-CB 3.3Å; D643-K647 WeakPolarHBondContact O-CB 3.29Å; D643-K647 PolarHBondContact O-N 3.1Å; D643-K684 IonicContact OD1-NZ 2.6Å; D643-K684 PolarHBondContact OD1-NZ 3.2Å; D643-K684 IonicContact OD2-NZ 3.4Å; D643-K684 PolarHBondContact OD2-NZ 2.93Å |
| 644 | R | 91.9 | Very high | 91 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -36.7 | 173 | -70.1 | -167.4 | 87.4 | 140.4 | 15.5 | 112.9 | T640 V641 I646 K647 D648 D792 L795 T799 | T640-R644 WeakPolarHBondContact O-CG 3.47Å; T640-R644 PolarHBondContact O-N 3.11Å; V641-R644 PolarHBondContact O-N 3.32Å; R644-I646 PolarHBondContact O-N 3.49Å; R644-K647 PolarHBondContact O-N 3.44Å; R644-D648 IonicContact CZ-OD2 2.7Å; R644-D648 IonicContact NE-OD2 2.78Å; R644-D648 PolarHBondContact NE-OD2 2.81Å; R644-D648 IonicContact NH2-OD2 2.76Å; R644-D648 PolarHBondContact NH2-OD2 3.29Å; R644-D648 WeakPolarHBondContact O-CA 3.25Å; R644-D648 VanDerWaalsContact O-CB 3.28Å; R644-D648 WeakPolarHBondContact O-CB 3.34Å; R644-D648 PolarHBondContact O-N 3.08Å; R644-D792 IonicContact CZ-OD1 3.75Å; R644-D792 IonicContact CZ-OD2 3.57Å; R644-D792 PolarHBondContact NH1-O 3.3Å; R644-D792 IonicContact NH1-OD1 2.61Å; R644-D792 PolarHBondContact NH1-OD1 3.19Å; R644-D792 IonicContact NH1-OD2 2.83Å; R644-D792 PolarHBondContact NH1-OD2 2.6Å; R644-D792 IonicContact NH2-OD1 2.67Å; R644-D792 PolarHBondContact NH2-OD1 3.16Å; R644-D792 IonicContact NH2-OD2 3.46Å; R644-D792 PolarHBondContact NH2-OD2 3.2Å; R644-D792 VanDerWaalsContact NH2-OD2 3.09Å; R644-L795 VanDerWaalsContact NH1-CB 3.32Å; R644-T799 HydrophobicContact CB-CG2 3.88Å |
| 645 | L | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 173.8 | -73 | 168.9 | 0 | 0 | 0 | 111.3 | L616 V641 I642 H649 Q650 V651 F653 T799 I802 C803 | L616-L645 HydrophobicContact CD2-CD1 3.8Å; V641-L645 HydrophobicContact CG1-CD1 3.9Å; V641-L645 HydrophobicContact CG1-CG 4.44Å; V641-L645 WeakPolarHBondContact O-CB 3.4Å; V641-L645 VanDerWaalsContact O-CG 3.22Å; V641-L645 WeakPolarHBondContact O-CG 3.24Å; V641-L645 PolarHBondContact O-N 3.28Å; I642-L645 PolarHBondContact O-N 3Å; L645-H649 CarbonylContact O-C 3.59Å; L645-H649 WeakPolarHBondContact O-CB 3.45Å; L645-H649 PolarHBondContact O-N 3.17Å; L645-Q650 PolarHBondContact O-N 3.2Å; L645-Q650 VanDerWaalsContact O-N 3.16Å; L645-V651 HydrophobicContact CB-CB 4.03Å; L645-V651 HydrophobicContact CB-CG2 4.02Å; L645-V651 HydrophobicContact CD2-CG2 4.31Å; L645-V651 VanDerWaalsContact O-CB 3.31Å; L645-V651 WeakPolarHBondContact O-CB 3.43Å; L645-V651 WeakPolarHBondContact O-CG2 3.24Å; L645-V651 PolarHBondContact O-N 3.48Å; L645-F653 HydrophobicContact CB-CE2 3.99Å; L645-F653 HydrophobicContact CB-CZ 4.24Å; L645-F653 HydrophobicContact CD1-CE2 4.39Å; L645-F653 HydrophobicContact CD1-CZ 3.87Å; L645-T799 HydrophobicContact CD2-CG2 4.06Å; L645-T799 HydrophobicContact CG-CG2 4.01Å; L645-I802 HydrophobicContact CD1-CD1 3.91Å; L645-I802 HydrophobicContact CD1-CG2 4.07Å; L645-I802 HydrophobicContact CD2-CB 4.15Å; L645-I802 HydrophobicContact CD2-CD1 4.4Å; L645-I802 HydrophobicContact CD2-CG2 3.94Å; L645-C803 WeakPolarHBondContact CD2-SG 3.47Å |
| 646 | I | 89.3 | Confident | 89.6 | Confident | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.9 | -49.3 | 174.7 | -63.4 | 159.5 | 0 | 0 | 0 | 111.4 | I642 D643 R644 Q650 V651 F653 L680 | I642-I646 HydrophobicContact CG2-CD1 3.96Å; I642-I646 WeakPolarHBondContact O-CD1 3.22Å; I642-I646 VanDerWaalsContact O-CG1 3.31Å; I642-I646 WeakPolarHBondContact O-CG1 3.19Å; I642-I646 PolarHBondContact O-N 2.54Å; I642-I646 VanDerWaalsContact O-N 3.09Å; D643-I646 PolarHBondContact O-N 3.19Å; R644-I646 PolarHBondContact O-N 3.49Å; I646-Q650 VanDerWaalsContact O-CA 3.26Å; I646-Q650 WeakPolarHBondContact O-CA 2.84Å; I646-Q650 PolarHBondContact O-N 3Å; I646-V651 WeakPolarHBondContact CA-O 3.29Å; I646-V651 WeakPolarHBondContact CG1-O 3.34Å; I646-F653 HydrophobicContact CD1-CD2 4Å; I646-F653 HydrophobicContact CG1-CD2 3.82Å; I646-F653 HydrophobicContact CG1-CE2 4.11Å; I646-L680 HydrophobicContact CD1-CD2 3.39Å |
| 647 | K | 85 | Confident | 89.2 | Confident | 143 Ų | 143 | 50.2 Ų | 50.2 | 62% | 0.622 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -73 | -55.2 | -174.2 | -175 | -177.6 | 177.3 | 176.7 | 0 | 112.7 | D643 R644 | D643-K647 VanDerWaalsContact O-CB 3.3Å; D643-K647 WeakPolarHBondContact O-CB 3.29Å; D643-K647 PolarHBondContact O-N 3.1Å; R644-K647 PolarHBondContact O-N 3.44Å |
| 648 | D | 80.8 | Confident | 89 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -27.4 | -167.5 | -53.1 | -14.9 | 0 | 0 | 0 | 111.6 | R644 | R644-D648 IonicContact CZ-OD2 2.7Å; R644-D648 IonicContact NE-OD2 2.78Å; R644-D648 PolarHBondContact NE-OD2 2.81Å; R644-D648 IonicContact NH2-OD2 2.76Å; R644-D648 PolarHBondContact NH2-OD2 3.29Å; R644-D648 WeakPolarHBondContact O-CA 3.25Å; R644-D648 VanDerWaalsContact O-CB 3.28Å; R644-D648 WeakPolarHBondContact O-CB 3.34Å; R644-D648 PolarHBondContact O-N 3.08Å |
| 649 | H | 81.7 | Confident | 88.8 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 1.4 | -176.3 | -61.9 | -76.7 | 0 | 0 | 0 | 114.8 | C611 L645 V651 T799 | C611-H649 HydrophobicContact CB-CB 4.01Å; L645-H649 CarbonylContact O-C 3.59Å; L645-H649 WeakPolarHBondContact O-CB 3.45Å; L645-H649 PolarHBondContact O-N 3.17Å; H649-V651 HydrophobicContact CB-CG2 4.16Å; H649-V651 PolarHBondContact O-N 2.98Å; H649-T799 WeakPolarHBondContact NE2-CB 3.44Å; H649-T799 PolarHBondContact NE2-OG1 3.2Å |
| 650 | Q | 82.8 | Confident | 88.8 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | trans | 56.5 | 27.6 | 179.3 | -55.6 | -177.3 | 16.8 | 0 | 0 | 114.6 | L645 I646 | L645-Q650 PolarHBondContact O-N 3.2Å; L645-Q650 VanDerWaalsContact O-N 3.16Å; I646-Q650 VanDerWaalsContact O-CA 3.26Å; I646-Q650 WeakPolarHBondContact O-CA 2.84Å; I646-Q650 PolarHBondContact O-N 3Å | ||
| 651 | V | 88.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | trans | -67.6 | 140.7 | 175.1 | 179 | 0 | 0 | 0 | 0 | 109.9 | C611 V614 L645 I646 H649 F653 | C611-V651 HydrophobicContact CB-CG2 3.62Å; V614-V651 HydrophobicContact CG1-CG1 3.84Å; L645-V651 HydrophobicContact CB-CB 4.03Å; L645-V651 HydrophobicContact CB-CG2 4.02Å; L645-V651 HydrophobicContact CD2-CG2 4.31Å; L645-V651 VanDerWaalsContact O-CB 3.31Å; L645-V651 WeakPolarHBondContact O-CB 3.43Å; L645-V651 WeakPolarHBondContact O-CG2 3.24Å; L645-V651 PolarHBondContact O-N 3.48Å; I646-V651 WeakPolarHBondContact CA-O 3.29Å; I646-V651 WeakPolarHBondContact CG1-O 3.34Å; H649-V651 HydrophobicContact CB-CG2 4.16Å; H649-V651 PolarHBondContact O-N 2.98Å; V651-F653 HydrophobicContact CB-CE2 4.32Å; V651-F653 HydrophobicContact CG1-CD2 4.15Å; V651-F653 HydrophobicContact CG1-CE1 4.19Å; V651-F653 HydrophobicContact CG1-CE2 3.72Å; V651-F653 HydrophobicContact CG1-CZ 3.75Å | ||
| 652 | K | 88.8 | Confident | 88.9 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | trans | -118.1 | 105.9 | 178.1 | -72.3 | 176.9 | 176.8 | -179.1 | 0 | 110.8 | S654 E657 S658 | K652-S654 PolarHBondContact O-N 3.1Å; K652-E657 HydrophobicContact CB-CG 4.28Å; K652-E657 VanDerWaalsContact CB-OE2 3.26Å; K652-E657 WeakPolarHBondContact CB-OE2 3.5Å; K652-E657 WeakPolarHBondContact CD-OE2 3.42Å; K652-S658 VanDerWaalsContact O-CB 3.23Å; K652-S658 WeakPolarHBondContact O-CB 3.31Å; K652-S658 PolarHBondContact O-N 3.28Å; K652-S658 VanDerWaalsContact O-N 3.16Å; K652-S658 PolarHBondContact O-OG 2.85Å | ||
| 653 | F | 90.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 9% | 0.088 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 113.5 | 175.1 | -67.6 | -76.4 | 0 | 0 | 0 | 110.7 | V614 L616 I642 L645 I646 V651 S658 V660 L676 L680 | V614-F653 HydrophobicContact CG1-CE1 4.24Å; V614-F653 HydrophobicContact CG1-CZ 4.45Å; L616-F653 HydrophobicContact CD2-CZ 4.38Å; I642-F653 HydrophobicContact CB-CE2 4.43Å; I642-F653 HydrophobicContact CG2-CD2 3.94Å; I642-F653 HydrophobicContact CG2-CE2 3.94Å; L645-F653 HydrophobicContact CB-CE2 3.99Å; L645-F653 HydrophobicContact CB-CZ 4.24Å; L645-F653 HydrophobicContact CD1-CE2 4.39Å; L645-F653 HydrophobicContact CD1-CZ 3.87Å; I646-F653 HydrophobicContact CD1-CD2 4Å; I646-F653 HydrophobicContact CG1-CD2 3.82Å; I646-F653 HydrophobicContact CG1-CE2 4.11Å; V651-F653 HydrophobicContact CB-CE2 4.32Å; V651-F653 HydrophobicContact CG1-CD2 4.15Å; V651-F653 HydrophobicContact CG1-CE1 4.19Å; V651-F653 HydrophobicContact CG1-CE2 3.72Å; V651-F653 HydrophobicContact CG1-CZ 3.75Å; F653-S658 CarbonylContact C-O 3.56Å; F653-S658 VanDerWaalsContact CA-O 3.24Å; F653-S658 WeakPolarHBondContact CA-O 3.14Å; F653-V660 HydrophobicContact CD1-CB 3.84Å; F653-V660 HydrophobicContact CD1-CG1 3.91Å; F653-V660 HydrophobicContact CE1-CB 3.91Å; F653-V660 HydrophobicContact CE1-CG1 4.4Å; F653-V660 HydrophobicContact CG-CG1 4.41Å; F653-L676 HydrophobicContact CB-CD2 3.98Å; F653-L680 HydrophobicContact CB-CD1 3.87Å; F653-L680 HydrophobicContact CB-CD2 4.29Å; F653-L680 HydrophobicContact CG-CD1 4.41Å |
| 654 | S | 86.6 | Confident | 88.9 | Confident | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -162.4 | 153.5 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 109 | K652 N656 E657 S658 | K652-S654 PolarHBondContact O-N 3.1Å; S654-N656 PolarHBondContact O-N 3.03Å; S654-E657 PolarHBondContact O-N 3.08Å; S654-E657 WeakPolarHBondContact OG-CB 3.29Å; S654-E657 PolarHBondContact OG-N 3.14Å; S654-S658 PolarHBondContact N-O 2.73Å; S654-S658 CarbonylContact O-C 3.53Å; S654-S658 PolarHBondContact O-N 2.83Å |
| 655 | V | 80.4 | Confident | 89 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30.5 | -178.5 | -172 | 0 | 0 | 0 | 0 | 113.1 | T677 | V655-T677 WeakPolarHBondContact CG2-O 3.36Š|
| 656 | N | 79.8 | Confident | 88.9 | Confident | 145 Ų | 145 | 44.7 Ų | 44.7 | 78% | 0.775 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -25.4 | -178.2 | -65.5 | -27.3 | 0 | 0 | 0 | 114.4 | S654 K716 | S654-N656 PolarHBondContact O-N 3.03Å; N656-K716 PolarHBondContact O-NZ 3.07Å |
| 657 | E | 85.3 | Confident | 88.6 | Confident | 79 Ų | 79 | 42 Ų | 42 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -105 | -80.5 | -171.6 | -166.9 | 164.2 | -170 | 0 | 0 | 111.8 | P613 K652 S654 K716 | P613-E657 HydrophobicContact CB-CG 4.49Å; P613-E657 WeakPolarHBondContact CB-O 3.37Å; K652-E657 HydrophobicContact CB-CG 4.28Å; K652-E657 VanDerWaalsContact CB-OE2 3.26Å; K652-E657 WeakPolarHBondContact CB-OE2 3.5Å; K652-E657 WeakPolarHBondContact CD-OE2 3.42Å; S654-E657 PolarHBondContact O-N 3.08Å; S654-E657 WeakPolarHBondContact OG-CB 3.29Å; S654-E657 PolarHBondContact OG-N 3.14Å; E657-K716 WeakPolarHBondContact O-CD 3.49Å; E657-K716 WeakPolarHBondContact O-CE 3.17Å; E657-K716 PolarHBondContact O-NZ 3.08Å |
| 658 | S | 92 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 130.3 | 174 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | P613 V614 K652 F653 S654 | P613-S658 WeakPolarHBondContact CA-OG 3.44Å; V614-S658 PolarHBondContact N-OG 2.86Å; V614-S658 CarbonylContact O-C 3.57Å; V614-S658 WeakPolarHBondContact O-CA 3.46Å; V614-S658 WeakPolarHBondContact O-CB 3.35Å; K652-S658 VanDerWaalsContact O-CB 3.23Å; K652-S658 WeakPolarHBondContact O-CB 3.31Å; K652-S658 PolarHBondContact O-N 3.28Å; K652-S658 VanDerWaalsContact O-N 3.16Å; K652-S658 PolarHBondContact O-OG 2.85Å; F653-S658 CarbonylContact C-O 3.56Å; F653-S658 VanDerWaalsContact CA-O 3.24Å; F653-S658 WeakPolarHBondContact CA-O 3.14Å; S654-S658 PolarHBondContact N-O 2.73Å; S654-S658 CarbonylContact O-C 3.53Å; S654-S658 PolarHBondContact O-N 2.83Å |
| 659 | T | 93.6 | Very high | 88.2 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 154.8 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | V614 D615 L616 | V614-T659 PolarHBondContact O-N 2.92Å; D615-T659 VanDerWaalsContact CG-OG1 3.28Å; D615-T659 WeakPolarHBondContact OD1-CB 3.36Å; D615-T659 WeakPolarHBondContact OD1-CG2 3.43Å; D615-T659 PolarHBondContact OD1-N 3.08Å; D615-T659 PolarHBondContact OD1-OG1 2.77Å; L616-T659 PolarHBondContact N-O 3.43Å |
| 660 | V | 96.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.4 | 173.2 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | L616 F618 I642 F653 L676 L680 F683 | L616-V660 HydrophobicContact CB-CG2 4.35Å; L616-V660 HydrophobicContact CD2-CG2 4.39Å; L616-V660 HydrophobicContact CG-CG2 4.39Å; L616-V660 CarbonylContact O-C 3.5Å; L616-V660 VanDerWaalsContact O-CA 3.24Å; L616-V660 WeakPolarHBondContact O-CA 3.48Å; F618-V660 HydrophobicContact CD2-CG2 4.23Å; F618-V660 HydrophobicContact CE2-CG2 3.96Å; I642-V660 HydrophobicContact CD1-CG1 4.4Å; I642-V660 HydrophobicContact CD1-CG2 3.92Å; I642-V660 HydrophobicContact CG1-CG2 4.29Å; F653-V660 HydrophobicContact CD1-CB 3.84Å; F653-V660 HydrophobicContact CD1-CG1 3.91Å; F653-V660 HydrophobicContact CE1-CB 3.91Å; F653-V660 HydrophobicContact CE1-CG1 4.4Å; F653-V660 HydrophobicContact CG-CG1 4.41Å; V660-L676 HydrophobicContact CG1-CB 3.99Å; V660-L676 HydrophobicContact CG1-CD2 4.16Å; V660-L676 WeakPolarHBondContact O-CB 3.36Å; V660-L676 PolarHBondContact O-N 2.93Å; V660-L680 HydrophobicContact CG1-CD1 4.32Å; V660-F683 HydrophobicContact CB-CE1 4.48Å; V660-F683 HydrophobicContact CB-CZ 4.28Å; V660-F683 HydrophobicContact CG1-CD1 3.98Å; V660-F683 HydrophobicContact CG1-CE1 3.59Å; V660-F683 HydrophobicContact CG1-CE2 4.19Å; V660-F683 HydrophobicContact CG1-CG 4.46Å; V660-F683 HydrophobicContact CG1-CZ 3.69Å; V660-F683 HydrophobicContact CG2-CE1 4.14Å; V660-F683 HydrophobicContact CG2-CZ 3.9Å |
| 661 | G | 95.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 158.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L616 V617 F618 V674 | L616-G661 PolarHBondContact O-N 3.06Å; V617-G661 WeakPolarHBondContact CA-O 3.32Å; F618-G661 PolarHBondContact N-O 3.33Å; G661-V674 CarbonylContact C-O 3.52Å; G661-V674 VanDerWaalsContact CA-O 3.23Å; G661-V674 WeakPolarHBondContact CA-O 3.3Å |
| 662 | V | 97.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.5 | 170.4 | -171.7 | 0 | 0 | 0 | 0 | 109 | F618 V620 I638 I673 V674 F683 V687 M690 | F618-V662 HydrophobicContact CB-CG1 4.29Å; F618-V662 HydrophobicContact CB-CG2 4.3Å; F618-V662 HydrophobicContact CD2-CG2 4.43Å; F618-V662 CarbonylContact O-C 3.57Å; F618-V662 VanDerWaalsContact O-CA 3.3Å; F618-V662 WeakPolarHBondContact O-CA 3.43Å; V620-V662 HydrophobicContact CG2-CG1 3.87Å; I638-V662 HydrophobicContact CD1-CG1 3.98Å; I638-V662 HydrophobicContact CD1-CG2 4.14Å; I638-V662 HydrophobicContact CG2-CG2 3.93Å; V662-I673 WeakPolarHBondContact O-CA 3.35Å; V662-V674 HydrophobicContact CB-CB 4.38Å; V662-V674 PolarHBondContact N-O 3.35Å; V662-V674 PolarHBondContact O-N 3.3Å; V662-F683 HydrophobicContact CG2-CZ 3.92Å; V662-V687 HydrophobicContact CG2-CG2 3.68Å; V662-M690 HydrophobicContact CB-CE 4.32Å; V662-M690 HydrophobicContact CG1-CE 3.73Å; V662-M690 HydrophobicContact CG1-SD 4.21Å |
| 663 | V | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 102.6 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | V617 F618 V619 V620 Q672 I673 T706 I710 | V617-V663 HydrophobicContact CG2-CG2 4.35Å; F618-V663 PolarHBondContact O-N 2.88Å; V619-V663 CarbonylContact C-O 2.86Å; V619-V663 WeakPolarHBondContact CA-O 3.41Å; V620-V663 PolarHBondContact N-O 2.96Å; V663-Q672 WeakPolarHBondContact CA-O 2.95Å; V663-I673 HydrophobicContact CG1-CG1 4.38Å; V663-I673 HydrophobicContact CG2-CG1 4.34Å; V663-T706 HydrophobicContact CG2-CG2 4.24Å; V663-I710 HydrophobicContact CG2-CD1 3.48Å; V663-I710 VanDerWaalsContact CG2-CD1 3.48Å; V663-I710 HydrophobicContact CG2-CG1 4.17Å |
| 664 | Q | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.7 | 167.5 | 178.6 | -174.1 | -18.6 | 0 | 0 | 109 | V620 S622 F631 Q671 Q672 M690 R691 L693 | V620-Q664 WeakPolarHBondContact O-CA 3.29Å; S622-Q664 VanDerWaalsContact OG-CG 3.28Å; S622-Q664 WeakPolarHBondContact OG-CG 3.48Å; S622-Q664 PolarHBondContact OG-NE2 2.88Å; F631-Q664 HydrophobicContact CE2-CG 3.96Å; F631-Q664 HydrophobicContact CZ-CG 3.93Å; F631-Q664 VanDerWaalsContact CZ-OE1 3.3Å; Q664-Q671 CarbonylContact O-C 3.59Å; Q664-Q671 VanDerWaalsContact O-CA 3.23Å; Q664-Q671 WeakPolarHBondContact O-CA 3.41Å; Q664-Q672 HydrophobicContact CB-CB 4.32Å; Q664-Q672 PolarHBondContact N-O 2.93Å; Q664-Q672 PolarHBondContact O-N 2.88Å; Q664-M690 HydrophobicContact CB-SD 4.09Å; Q664-R691 PolarHBondContact NE2-O 3.11Å; Q664-R691 PolarHBondContact OE1-O 3.44Å; Q664-L693 HydrophobicContact CG-CD1 4.42Å |
| 665 | Y | 93.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 159.8 | 175.1 | 73.1 | -80.9 | 0 | 0 | 0 | 113.3 | V619 V620 D621 S622 S670 T697 T699 A702 T725 | V619-Y665 HydrophobicContact CG1-CD1 3.84Å; V619-Y665 HydrophobicContact CG1-CE1 3.83Å; V620-Y665 WeakPolarHBondContact O-CD1 3.11Å; V620-Y665 PolarHBondContact O-N 2.85Å; D621-Y665 HydrophobicContact CB-CE1 3.94Å; D621-Y665 HydrophobicContact CB-CE2 4.48Å; S622-Y665 WeakPolarHBondContact CA-O 3.37Å; S622-Y665 WeakPolarHBondContact CB-O 3.3Å; S622-Y665 PolarHBondContact N-O 2.95Å; S622-Y665 PolarHBondContact OG-O 3.22Å; Y665-S670 WeakPolarHBondContact CA-O 3.41Å; Y665-T697 HydrophobicContact CE2-CG2 4.04Å; Y665-T699 HydrophobicContact CE2-CG2 4.46Å; Y665-T699 WeakPolarHBondContact CE2-OG1 3.44Å; Y665-T699 WeakPolarHBondContact OH-CG2 3.33Å; Y665-T699 PolarHBondContact OH-OG1 3.32Å; Y665-A702 VanDerWaalsContact CB-CB 3.5Å; Y665-A702 HydrophobicContact CD1-CB 3.7Å; Y665-A702 HydrophobicContact CD2-CB 3.67Å; Y665-A702 HydrophobicContact CE1-CB 4.3Å; Y665-A702 HydrophobicContact CE2-CB 4.27Å; Y665-A702 HydrophobicContact CG-CB 3.34Å; Y665-T725 WeakPolarHBondContact OH-CB 3.27Å |
| 666 | S | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -142.8 | -98.8 | 163.1 | 57.9 | 0 | 0 | 0 | 0 | 110.3 | S670 L693 A696 Y698 | S666-S670 PolarHBondContact N-O 2.62Å; S666-S670 WeakPolarHBondContact OG-CB 3.43Å; S666-L693 VanDerWaalsContact OG-CB 3.25Å; S666-L693 WeakPolarHBondContact OG-CB 3.47Å; S666-A696 CarbonylContact C-O 3.55Å; S666-A696 WeakPolarHBondContact CA-O 3.3Å; S666-A696 WeakPolarHBondContact CB-O 3.39Å; S666-A696 CarbonylContact O-C 3.54Å; S666-Y698 PolarHBondContact O-N 2.83Å | ||
| 667 | G | 83.5 | Confident | 89.2 | Confident | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -81.5 | -170.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q669 S670 A696 | G667-Q669 PolarHBondContact O-N 3.42Å; G667-S670 WeakPolarHBondContact O-CB 3.45Å; G667-S670 PolarHBondContact O-N 2.99Å; G667-A696 PolarHBondContact N-O 2.96Å |
| 668 | S | 79.1 | Confident | 88.8 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 44% | 0.441 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 132.6 | -179.5 | -159 | 0 | 0 | 0 | 0 | 111.5 | S670 Y698 E701 | S668-S670 PolarHBondContact O-N 3.31Å; S668-Y698 VanDerWaalsContact CB-CE2 3.47Å; S668-E701 VanDerWaalsContact CA-OE2 3.3Å; S668-E701 WeakPolarHBondContact CA-OE2 3.2Å; S668-E701 WeakPolarHBondContact CB-OE2 3.32Å; S668-E701 PolarHBondContact OG-OE2 3.32Å |
| 669 | Q | 77 | Confident | 88.6 | Confident | 166 Ų | 166 | 39.3 Ų | 39.3 | 78% | 0.776 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 5.4 | -173.8 | -47.3 | -167.4 | -46.2 | 0 | 0 | 115.4 | G667 Q671 E701 | G667-Q669 PolarHBondContact O-N 3.42Å; Q669-Q671 VanDerWaalsContact C-OE1 3.29Å; Q669-Q671 PolarHBondContact O-N 3.4Å; Q669-Q671 PolarHBondContact O-OE1 3.19Å; Q669-E701 WeakPolarHBondContact CA-OE1 3.3Å; Q669-E701 PolarHBondContact N-OE1 3.14Å |
| 670 | S | 79.6 | Confident | 88.5 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -94 | 66.1 | 179.8 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | Y665 S666 G667 S668 E695 | Y665-S670 WeakPolarHBondContact CA-O 3.41Å; S666-S670 PolarHBondContact N-O 2.62Å; S666-S670 WeakPolarHBondContact OG-CB 3.43Å; G667-S670 WeakPolarHBondContact O-CB 3.45Å; G667-S670 PolarHBondContact O-N 2.99Å; S668-S670 PolarHBondContact O-N 3.31Å; S670-E695 WeakPolarHBondContact CB-OE2 3.38Å; S670-E695 PolarHBondContact OG-OE2 3.27Å | ||
| 671 | Q | 84.3 | Confident | 88.3 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.6 | 175.4 | -48.6 | 91.3 | 8 | 0 | 0 | 112.1 | Q664 Q669 E701 | Q664-Q671 CarbonylContact O-C 3.59Å; Q664-Q671 VanDerWaalsContact O-CA 3.23Å; Q664-Q671 WeakPolarHBondContact O-CA 3.41Å; Q669-Q671 VanDerWaalsContact C-OE1 3.29Å; Q669-Q671 PolarHBondContact O-N 3.4Å; Q669-Q671 PolarHBondContact O-OE1 3.19Å; Q671-E701 PolarHBondContact NE2-OE1 3.41Å |
| 672 | Q | 90.5 | Very high | 88.1 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 36% | 0.355 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.7 | 170.7 | -179.3 | 175.8 | -3.3 | 0 | 0 | 109.4 | V663 Q664 | V663-Q672 WeakPolarHBondContact CA-O 2.95Å; Q664-Q672 HydrophobicContact CB-CB 4.32Å; Q664-Q672 PolarHBondContact N-O 2.93Å; Q664-Q672 PolarHBondContact O-N 2.88Å |
| 673 | I | 91.6 | Very high | 87.9 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 36% | 0.359 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.5 | -177.8 | -59.3 | 173.6 | 0 | 0 | 0 | 109.7 | V662 V663 K675 V705 T709 I710 | V662-I673 WeakPolarHBondContact O-CA 3.35Å; V663-I673 HydrophobicContact CG1-CG1 4.38Å; V663-I673 HydrophobicContact CG2-CG1 4.34Å; I673-K675 HydrophobicContact CG2-CG 4.09Å; I673-V705 HydrophobicContact CD1-CG1 3.91Å; I673-T709 HydrophobicContact CD1-CG2 4.08Å; I673-I710 HydrophobicContact CG2-CD1 4.08Å |
| 674 | V | 92.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 107.8 | G661 V662 F683 E686 V687 M690 | G661-V674 CarbonylContact C-O 3.52Å; G661-V674 VanDerWaalsContact CA-O 3.23Å; G661-V674 WeakPolarHBondContact CA-O 3.3Å; V662-V674 HydrophobicContact CB-CB 4.38Å; V662-V674 PolarHBondContact N-O 3.35Å; V662-V674 PolarHBondContact O-N 3.3Å; V674-F683 HydrophobicContact CB-CE2 4.5Å; V674-F683 HydrophobicContact CG1-CD2 3.79Å; V674-F683 HydrophobicContact CG1-CE2 3.74Å; V674-E686 HydrophobicContact CG1-CB 3.69Å; V674-E686 WeakPolarHBondContact CG1-OE2 3.4Å; V674-V687 HydrophobicContact CG1-CG2 4.09Å; V674-M690 HydrophobicContact CG2-CG 4Å; V674-M690 HydrophobicContact CG2-SD 3.77Å |
| 675 | K | 91.9 | Very high | 87.7 | Confident | 68 Ų | 68 | 53 Ų | 53 | 30% | 0.296 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.9 | -178.4 | -77.9 | -175.2 | 174.4 | -173.8 | 0 | 110.1 | I673 T677 T709 I710 D713 | I673-K675 HydrophobicContact CG2-CG 4.09Å; K675-T677 HydrophobicContact CB-CG2 4.24Å; K675-T677 PolarHBondContact O-N 2.86Å; K675-T709 WeakPolarHBondContact CE-O 3.14Å; K675-T709 PolarHBondContact NZ-O 3.19Å; K675-I710 HydrophobicContact CG-CD1 4.34Å; K675-D713 IonicContact NZ-OD2 2.7Å; K675-D713 PolarHBondContact NZ-OD2 2.91Å |
| 676 | L | 88.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | trans | -66.3 | 99 | 170.1 | -178.4 | 68.1 | 0 | 0 | 0 | 110.5 | F653 V660 T679 L680 F683 | F653-L676 HydrophobicContact CB-CD2 3.98Å; V660-L676 HydrophobicContact CG1-CB 3.99Å; V660-L676 HydrophobicContact CG1-CD2 4.16Å; V660-L676 WeakPolarHBondContact O-CB 3.36Å; V660-L676 PolarHBondContact O-N 2.93Å; L676-T679 WeakPolarHBondContact CD1-O 3.3Å; L676-L680 HydrophobicContact CD1-CD1 4.36Å; L676-F683 HydrophobicContact CB-CD2 4.08Å; L676-F683 HydrophobicContact CB-CG 4.39Å; L676-F683 HydrophobicContact CD1-CB 3.76Å; L676-F683 HydrophobicContact CD1-CG 4.24Å | ||
| 677 | T | 80.1 | Confident | 88.1 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -108.8 | -34.4 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | V655 K675 | V655-T677 WeakPolarHBondContact CG2-O 3.36Å; K675-T677 HydrophobicContact CB-CG2 4.24Å; K675-T677 PolarHBondContact O-N 2.86Å |
| 678 | T | 77.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -114.9 | -86.9 | -176.8 | 52 | 0 | 0 | 0 | 0 | 111.8 | E682 | T678-E682 WeakPolarHBondContact CB-OE2 3.5Å; T678-E682 PolarHBondContact OG1-OE2 3.05Å |
| 679 | T | 87.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | trans | -128.3 | 154.2 | -176.5 | 74.2 | 0 | 0 | 0 | 0 | 111.7 | L676 E682 F683 | L676-T679 WeakPolarHBondContact CD1-O 3.3Å; T679-E682 WeakPolarHBondContact CB-OE2 3.29Å; T679-E682 WeakPolarHBondContact CG2-OE2 3.46Å; T679-E682 PolarHBondContact N-OE2 2.92Å; T679-E682 PolarHBondContact O-N 3.42Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.41Å; T679-E682 PolarHBondContact OG1-OE2 2.9Å; T679-F683 PolarHBondContact O-N 3.43Å; T679-F683 VanDerWaalsContact O-N 3.08Å | ||
| 680 | L | 90.9 | Very high | 90 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | -179.6 | -171.2 | 68.9 | 0 | 0 | 0 | 114.1 | I642 I646 F653 V660 L676 F683 K684 | I642-L680 HydrophobicContact CG2-CD1 4.01Å; I642-L680 HydrophobicContact CG2-CD2 4.03Å; I642-L680 HydrophobicContact CG2-CG 4.49Å; I646-L680 HydrophobicContact CD1-CD2 3.39Å; F653-L680 HydrophobicContact CB-CD1 3.87Å; F653-L680 HydrophobicContact CB-CD2 4.29Å; F653-L680 HydrophobicContact CG-CD1 4.41Å; V660-L680 HydrophobicContact CG1-CD1 4.32Å; L676-L680 HydrophobicContact CD1-CD1 4.36Å; L680-F683 HydrophobicContact CD1-CD1 4.13Å; L680-F683 PolarHBondContact O-N 2.86Å; L680-K684 WeakPolarHBondContact O-CG 3.42Å; L680-K684 PolarHBondContact O-N 2.92Å |
| 681 | P | 92.2 | Very high | 90.5 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 175 | -25.3 | 36.5 | 0 | 0 | 0 | 113.2 | K684 Q685 | P681-K684 PolarHBondContact O-N 2.82Å; P681-Q685 PolarHBondContact O-N 3.17Å |
| 682 | E | 91.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.9 | -69 | 162.9 | 149.9 | 0 | 0 | 110.7 | T678 T679 K684 Q685 E686 | T678-E682 WeakPolarHBondContact CB-OE2 3.5Å; T678-E682 PolarHBondContact OG1-OE2 3.05Å; T679-E682 WeakPolarHBondContact CB-OE2 3.29Å; T679-E682 WeakPolarHBondContact CG2-OE2 3.46Å; T679-E682 PolarHBondContact N-OE2 2.92Å; T679-E682 PolarHBondContact O-N 3.42Å; T679-E682 VanDerWaalsContact OG1-CG 3.31Å; T679-E682 WeakPolarHBondContact OG1-CG 3.41Å; T679-E682 PolarHBondContact OG1-OE2 2.9Å; E682-K684 VanDerWaalsContact C-N 3.33Å; E682-K684 PolarHBondContact O-N 3.27Å; E682-Q685 CarbonylContact O-C 3.49Å; E682-Q685 WeakPolarHBondContact O-CA 3.4Å; E682-Q685 WeakPolarHBondContact O-CB 3.32Å; E682-Q685 PolarHBondContact O-N 2.85Å; E682-E686 PolarHBondContact O-N 3.39Å |
| 683 | F | 94.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.5 | -44.6 | 174.3 | 172 | -91.2 | 0 | 0 | 0 | 112.6 | I642 V660 V662 V674 L676 T679 L680 Q685 E686 V687 | I642-F683 HydrophobicContact CD1-CD1 4.44Å; I642-F683 HydrophobicContact CD1-CE1 3.68Å; V660-F683 HydrophobicContact CB-CE1 4.48Å; V660-F683 HydrophobicContact CB-CZ 4.28Å; V660-F683 HydrophobicContact CG1-CD1 3.98Å; V660-F683 HydrophobicContact CG1-CE1 3.59Å; V660-F683 HydrophobicContact CG1-CE2 4.19Å; V660-F683 HydrophobicContact CG1-CG 4.46Å; V660-F683 HydrophobicContact CG1-CZ 3.69Å; V660-F683 HydrophobicContact CG2-CE1 4.14Å; V660-F683 HydrophobicContact CG2-CZ 3.9Å; V662-F683 HydrophobicContact CG2-CZ 3.92Å; V674-F683 HydrophobicContact CB-CE2 4.5Å; V674-F683 HydrophobicContact CG1-CD2 3.79Å; V674-F683 HydrophobicContact CG1-CE2 3.74Å; L676-F683 HydrophobicContact CB-CD2 4.08Å; L676-F683 HydrophobicContact CB-CG 4.39Å; L676-F683 HydrophobicContact CD1-CB 3.76Å; L676-F683 HydrophobicContact CD1-CG 4.24Å; T679-F683 PolarHBondContact O-N 3.43Å; T679-F683 VanDerWaalsContact O-N 3.08Å; L680-F683 HydrophobicContact CD1-CD1 4.13Å; L680-F683 PolarHBondContact O-N 2.86Å; F683-Q685 VanDerWaalsContact C-N 3.26Å; F683-Q685 PolarHBondContact O-N 2.95Å; F683-E686 PolarHBondContact O-N 2.98Å; F683-V687 HydrophobicContact CD1-CG2 4.34Å; F683-V687 HydrophobicContact CE1-CG2 3.86Å; F683-V687 HydrophobicContact CE2-CG2 4.39Å; F683-V687 HydrophobicContact CZ-CG2 3.91Å; F683-V687 WeakPolarHBondContact O-CG2 3.25Å; F683-V687 PolarHBondContact O-N 3.06Å |
| 684 | K | 93.7 | Very high | 90.4 | Very high | 27 Ų | 27 | 65 Ų | 65 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 175.8 | -74.8 | 179.8 | 179.6 | -171.8 | 0 | 112.3 | I639 D643 L680 P681 E682 R688 | I639-K684 HydrophobicContact CG2-CD 4.09Å; I639-K684 HydrophobicContact CG2-CG 4.44Å; D643-K684 IonicContact OD1-NZ 2.6Å; D643-K684 PolarHBondContact OD1-NZ 3.2Å; D643-K684 IonicContact OD2-NZ 3.4Å; D643-K684 PolarHBondContact OD2-NZ 2.93Å; L680-K684 WeakPolarHBondContact O-CG 3.42Å; L680-K684 PolarHBondContact O-N 2.92Å; P681-K684 PolarHBondContact O-N 2.82Å; E682-K684 VanDerWaalsContact C-N 3.33Å; E682-K684 PolarHBondContact O-N 3.27Å; K684-R688 WeakPolarHBondContact O-CG 3.44Å; K684-R688 PolarHBondContact O-N 3.25Å |
| 685 | Q | 93.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72 | -44.4 | 177 | -170.5 | 53.7 | 38.5 | 0 | 0 | 111.2 | P681 E682 F683 V687 R688 D689 | P681-Q685 PolarHBondContact O-N 3.17Å; E682-Q685 CarbonylContact O-C 3.49Å; E682-Q685 WeakPolarHBondContact O-CA 3.4Å; E682-Q685 WeakPolarHBondContact O-CB 3.32Å; E682-Q685 PolarHBondContact O-N 2.85Å; F683-Q685 VanDerWaalsContact C-N 3.26Å; F683-Q685 PolarHBondContact O-N 2.95Å; Q685-V687 VanDerWaalsContact C-N 3.28Å; Q685-V687 PolarHBondContact O-N 3.38Å; Q685-R688 WeakPolarHBondContact O-CB 3.37Å; Q685-R688 PolarHBondContact O-N 2.98Å; Q685-D689 PolarHBondContact NE2-OD1 2.89Å; Q685-D689 PolarHBondContact NE2-OD2 3.34Å; Q685-D689 WeakPolarHBondContact O-CB 3.18Å; Q685-D689 VanDerWaalsContact O-CG 3.31Å; Q685-D689 PolarHBondContact O-N 3.38Å |
| 686 | E | 94.5 | Very high | 89.5 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.3 | -42.1 | 171.3 | -69.9 | 177.8 | -174.1 | 0 | 0 | 111.8 | V674 E682 F683 D689 M690 | V674-E686 HydrophobicContact CG1-CB 3.69Å; V674-E686 WeakPolarHBondContact CG1-OE2 3.4Å; E682-E686 PolarHBondContact O-N 3.39Å; F683-E686 PolarHBondContact O-N 2.98Å; E686-D689 PolarHBondContact O-N 2.86Å; E686-M690 WeakPolarHBondContact O-CG 3.46Å; E686-M690 PolarHBondContact O-N 2.96Å |
| 687 | V | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 172.8 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | K635 I638 I639 V662 V674 F683 Q685 D689 M690 | K635-V687 HydrophobicContact CB-CG1 4.48Å; K635-V687 WeakPolarHBondContact CD-O 3.39Å; I638-V687 HydrophobicContact CB-CG1 4.47Å; I638-V687 HydrophobicContact CD1-CG1 4.37Å; I638-V687 HydrophobicContact CG2-CG1 4.22Å; I639-V687 HydrophobicContact CD1-CG1 4.28Å; I639-V687 HydrophobicContact CG1-CG1 4.15Å; V662-V687 HydrophobicContact CG2-CG2 3.68Å; V674-V687 HydrophobicContact CG1-CG2 4.09Å; F683-V687 HydrophobicContact CD1-CG2 4.34Å; F683-V687 HydrophobicContact CE1-CG2 3.86Å; F683-V687 HydrophobicContact CE2-CG2 4.39Å; F683-V687 HydrophobicContact CZ-CG2 3.91Å; F683-V687 WeakPolarHBondContact O-CG2 3.25Å; F683-V687 PolarHBondContact O-N 3.06Å; Q685-V687 VanDerWaalsContact C-N 3.28Å; Q685-V687 PolarHBondContact O-N 3.38Å; V687-D689 VanDerWaalsContact C-N 3.33Å; V687-D689 PolarHBondContact O-N 3.47Å; V687-M690 HydrophobicContact CB-CE 4.26Å; V687-M690 HydrophobicContact CG1-CE 3.93Å; V687-M690 HydrophobicContact CG2-CE 4.35Å; V687-M690 WeakPolarHBondContact O-CB 3.37Å; V687-M690 WeakPolarHBondContact O-CE 3.14Å; V687-M690 PolarHBondContact O-N 2.99Å |
| 688 | R | 93.8 | Very high | 89.9 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177 | -74.3 | 172 | -179.3 | 149.8 | -1.1 | 112.7 | K635 I639 K684 Q685 M690 | K635-R688 PolarHBondContact NZ-O 2.94Å; I639-R688 HydrophobicContact CD1-CG 3.67Å; K684-R688 WeakPolarHBondContact O-CG 3.44Å; K684-R688 PolarHBondContact O-N 3.25Å; Q685-R688 WeakPolarHBondContact O-CB 3.37Å; Q685-R688 PolarHBondContact O-N 2.98Å; R688-M690 VanDerWaalsContact C-N 3.28Å; R688-M690 PolarHBondContact O-N 2.81Å |
| 689 | D | 94 | Very high | 90.5 | Very high | 103 Ų | 103 | 60.5 Ų | 60.5 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -79.9 | -8.1 | -174.9 | -65.4 | -28.1 | 0 | 0 | 0 | 113.5 | Q685 E686 V687 R691 | Q685-D689 PolarHBondContact NE2-OD1 2.89Å; Q685-D689 PolarHBondContact NE2-OD2 3.34Å; Q685-D689 WeakPolarHBondContact O-CB 3.18Å; Q685-D689 VanDerWaalsContact O-CG 3.31Å; Q685-D689 PolarHBondContact O-N 3.38Å; E686-D689 PolarHBondContact O-N 2.86Å; V687-D689 VanDerWaalsContact C-N 3.33Å; V687-D689 PolarHBondContact O-N 3.47Å; D689-R691 PolarHBondContact O-N 2.99Å |
| 690 | M | 92.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 132.4 | 169.6 | -69.8 | -163.4 | -66.5 | 0 | 0 | 112.1 | F631 K635 V662 Q664 V674 E686 V687 R688 | F631-M690 HydrophobicContact CZ-CB 4.43Å; K635-M690 HydrophobicContact CD-CB 4.2Å; K635-M690 HydrophobicContact CD-CE 4.48Å; K635-M690 HydrophobicContact CG-CE 4.31Å; K635-M690 PolarHBondContact NZ-O 3.16Å; V662-M690 HydrophobicContact CB-CE 4.32Å; V662-M690 HydrophobicContact CG1-CE 3.73Å; V662-M690 HydrophobicContact CG1-SD 4.21Å; Q664-M690 HydrophobicContact CB-SD 4.09Å; V674-M690 HydrophobicContact CG2-CG 4Å; V674-M690 HydrophobicContact CG2-SD 3.77Å; E686-M690 WeakPolarHBondContact O-CG 3.46Å; E686-M690 PolarHBondContact O-N 2.96Å; V687-M690 HydrophobicContact CB-CE 4.26Å; V687-M690 HydrophobicContact CG1-CE 3.93Å; V687-M690 HydrophobicContact CG2-CE 4.35Å; V687-M690 WeakPolarHBondContact O-CB 3.37Å; V687-M690 WeakPolarHBondContact O-CE 3.14Å; V687-M690 PolarHBondContact O-N 2.99Å; R688-M690 VanDerWaalsContact C-N 3.28Å; R688-M690 PolarHBondContact O-N 2.81Å |
| 691 | R | 90.6 | Very high | 90.6 | Very high | 204 Ų | 204 | 57.5 Ų | 57.5 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -102 | 135.8 | -176.7 | -64 | -177.5 | 179 | -175.9 | -0.7 | 110.6 | Q664 D689 L693 | Q664-R691 PolarHBondContact NE2-O 3.11Å; Q664-R691 PolarHBondContact OE1-O 3.44Å; D689-R691 PolarHBondContact O-N 2.99Å; R691-L693 PolarHBondContact O-N 3.33Å |
| 692 | W | 91.5 | Very high | 90.6 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 35% | 0.345 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 132.2 | 172.7 | 177.9 | 58.9 | 0 | 0 | 0 | 110.6 | S622 S623 A628 F631 A694 | S622-W692 PolarHBondContact O-NE1 3.25Å; S622-W692 VanDerWaalsContact O-NE1 3.11Å; S623-W692 PolarHBondContact O-NE1 2.97Å; A628-W692 HydrophobicContact CB-CD2 3.98Å; A628-W692 HydrophobicContact CB-CE3 3.7Å; A628-W692 HydrophobicContact CB-CG 4.39Å; A628-W692 HydrophobicContact CB-CZ3 4.16Å; F631-W692 HydrophobicContact CB-CG 4.41Å; F631-W692 HydrophobicContact CD1-CB 3.79Å; F631-W692 HydrophobicContact CD1-CG 4.48Å; F631-W692 HydrophobicContact CE1-CB 4.41Å; F631-W692 HydrophobicContact CG-CB 4.27Å; W692-A694 HydrophobicContact CD2-CB 3.8Å; W692-A694 HydrophobicContact CE3-CB 3.78Å; W692-A694 HydrophobicContact CH2-CB 3.49Å; W692-A694 VanDerWaalsContact CH2-CB 3.49Å; W692-A694 HydrophobicContact CZ2-CB 3.47Å; W692-A694 VanDerWaalsContact CZ2-CB 3.47Å; W692-A694 HydrophobicContact CZ3-CB 3.64Å |
| 693 | L | 87.7 | Confident | 90.7 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | trans | -94.2 | -29.8 | -172.8 | -69 | 167.7 | 0 | 0 | 0 | 113.4 | Q664 S666 R691 E695 | Q664-L693 HydrophobicContact CG-CD1 4.42Å; S666-L693 VanDerWaalsContact OG-CB 3.25Å; S666-L693 WeakPolarHBondContact OG-CB 3.47Å; R691-L693 PolarHBondContact O-N 3.33Å; L693-E695 PolarHBondContact O-N 3.46Å | ||
| 694 | A | 83.9 | Confident | 90.7 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 30% | 0.298 | 24% | 0.239 | S | C | . | . | trans | 59.9 | 38.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116 | S622 W692 | S622-A694 PolarHBondContact O-N 2.98Å; W692-A694 HydrophobicContact CD2-CB 3.8Å; W692-A694 HydrophobicContact CE3-CB 3.78Å; W692-A694 HydrophobicContact CH2-CB 3.49Å; W692-A694 VanDerWaalsContact CH2-CB 3.49Å; W692-A694 HydrophobicContact CZ2-CB 3.47Å; W692-A694 VanDerWaalsContact CZ2-CB 3.47Å; W692-A694 HydrophobicContact CZ3-CB 3.64Å | ||
| 695 | E | 83.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -108.6 | -151.6 | 176.3 | -51.6 | -171.9 | 155.5 | 0 | 0 | 111.9 | S623 E624 S670 L693 | S623-E695 WeakPolarHBondContact CA-O 3.3Å; S623-E695 WeakPolarHBondContact CB-O 3.38Å; E624-E695 PolarHBondContact N-O 2.86Å; S670-E695 WeakPolarHBondContact CB-OE2 3.38Å; S670-E695 PolarHBondContact OG-OE2 3.27Å; L693-E695 PolarHBondContact O-N 3.46Å |
| 696 | A | 83.6 | Confident | 90.7 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | trans | -71.5 | -171.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S623 S666 G667 Y698 | S623-A696 WeakPolarHBondContact CB-O 3.19Å; S666-A696 CarbonylContact C-O 3.55Å; S666-A696 WeakPolarHBondContact CA-O 3.3Å; S666-A696 WeakPolarHBondContact CB-O 3.39Å; S666-A696 CarbonylContact O-C 3.54Å; G667-A696 PolarHBondContact N-O 2.96Å; A696-Y698 HydrophobicContact CB-CD1 3.9Å; A696-Y698 HydrophobicContact CB-CE1 3.66Å | ||
| 697 | T | 85.5 | Confident | 90.7 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.104 | 21% | 0.21 | C | C | . | . | trans | -128.1 | 90.1 | -176 | -38 | 0 | 0 | 0 | 0 | 111 | D621 S623 Y665 R728 S729 D730 | D621-T697 WeakPolarHBondContact OD2-CG2 3.35Å; S623-T697 WeakPolarHBondContact CB-OG1 3.5Å; S623-T697 PolarHBondContact OG-OG1 2.84Å; Y665-T697 HydrophobicContact CE2-CG2 4.04Å; T697-R728 VanDerWaalsContact CB-O 3.28Å; T697-R728 WeakPolarHBondContact CB-O 3.33Å; T697-R728 WeakPolarHBondContact CG2-O 3.49Å; T697-S729 WeakPolarHBondContact O-CA 3.47Å; T697-S729 PolarHBondContact O-OG 3.01Å; T697-D730 PolarHBondContact O-N 2.92Å | ||
| 698 | Y | 90.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | trans | -104.5 | 73.6 | -175.7 | -78.5 | 43.3 | 0 | 0 | 0 | 109.6 | S666 S668 A696 A702 R733 D734 | S666-Y698 PolarHBondContact O-N 2.83Å; S668-Y698 VanDerWaalsContact CB-CE2 3.47Å; A696-Y698 HydrophobicContact CB-CD1 3.9Å; A696-Y698 HydrophobicContact CB-CE1 3.66Å; Y698-A702 WeakPolarHBondContact O-CB 3.42Å; Y698-A702 PolarHBondContact O-N 2.87Å; Y698-R733 HydrophobicContact CE1-CB 4.3Å; Y698-R733 HydrophobicContact CE2-CB 4.45Å; Y698-R733 WeakPolarHBondContact OH-CB 3.43Å; Y698-D734 VanDerWaalsContact C-OD2 3.31Å; Y698-D734 HydrophobicContact CD2-CB 4.1Å; Y698-D734 HydrophobicContact CG-CB 4.15Å | ||
| 699 | T | 90.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.8 | -36.5 | -170.9 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | Y665 A702 L703 S729 D734 L738 | Y665-T699 HydrophobicContact CE2-CG2 4.46Å; Y665-T699 WeakPolarHBondContact CE2-OG1 3.44Å; Y665-T699 WeakPolarHBondContact OH-CG2 3.33Å; Y665-T699 PolarHBondContact OH-OG1 3.32Å; T699-A702 PolarHBondContact O-N 3.25Å; T699-L703 HydrophobicContact CG2-CD1 4.03Å; T699-L703 HydrophobicContact CG2-CG 4.34Å; T699-L703 WeakPolarHBondContact O-CG 3.32Å; T699-L703 PolarHBondContact O-N 2.98Å; T699-S729 WeakPolarHBondContact CB-OG 3.32Å; T699-S729 PolarHBondContact N-OG 3.21Å; T699-D734 PolarHBondContact N-OD2 3.36Å; T699-L738 HydrophobicContact CG2-CD2 4.08Å |
| 700 | G | 90.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -49.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A702 L703 E704 D734 T736 | G700-A702 VanDerWaalsContact C-N 3.3Å; G700-A702 PolarHBondContact O-N 3.43Å; G700-L703 PolarHBondContact O-N 3.4Å; G700-E704 PolarHBondContact O-N 3.45Å; G700-D734 VanDerWaalsContact CA-OD2 3.29Å; G700-D734 WeakPolarHBondContact CA-OD2 3.22Å; G700-D734 PolarHBondContact N-OD2 3Å; G700-T736 VanDerWaalsContact C-CG2 3.41Å; G700-T736 VanDerWaalsContact O-CG2 3.25Å; G700-T736 WeakPolarHBondContact O-CG2 3.27Å |
| 701 | E | 90.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -44.1 | 174.4 | -160.6 | -171.6 | 138.3 | 0 | 0 | 111.2 | S668 Q669 Q671 L703 E704 V705 D734 | S668-E701 VanDerWaalsContact CA-OE2 3.3Å; S668-E701 WeakPolarHBondContact CA-OE2 3.2Å; S668-E701 WeakPolarHBondContact CB-OE2 3.32Å; S668-E701 PolarHBondContact OG-OE2 3.32Å; Q669-E701 WeakPolarHBondContact CA-OE1 3.3Å; Q669-E701 PolarHBondContact N-OE1 3.14Å; Q671-E701 PolarHBondContact NE2-OE1 3.41Å; E701-L703 PolarHBondContact O-N 3.46Å; E701-E704 PolarHBondContact O-N 3.06Å; E701-V705 WeakPolarHBondContact O-CG2 3.29Å; E701-V705 PolarHBondContact O-N 3.24Å; E701-D734 PolarHBondContact N-OD1 2.98Å; E701-D734 PolarHBondContact N-OD2 3.37Å |
| 702 | A | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V619 Y665 Y698 T699 G700 T706 | V619-A702 HydrophobicContact CG1-CB 4.33Å; Y665-A702 VanDerWaalsContact CB-CB 3.5Å; Y665-A702 HydrophobicContact CD1-CB 3.7Å; Y665-A702 HydrophobicContact CD2-CB 3.67Å; Y665-A702 HydrophobicContact CE1-CB 4.3Å; Y665-A702 HydrophobicContact CE2-CB 4.27Å; Y665-A702 HydrophobicContact CG-CB 3.34Å; Y698-A702 WeakPolarHBondContact O-CB 3.42Å; Y698-A702 PolarHBondContact O-N 2.87Å; T699-A702 PolarHBondContact O-N 3.25Å; G700-A702 VanDerWaalsContact C-N 3.3Å; G700-A702 PolarHBondContact O-N 3.43Å; A702-T706 WeakPolarHBondContact O-CB 3.12Å; A702-T706 PolarHBondContact O-N 3.41Å; A702-T706 PolarHBondContact O-OG1 3.09Å |
| 703 | L | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 175.5 | -67.9 | 168.3 | 0 | 0 | 0 | 111.5 | T699 G700 E701 T706 L707 V723 L738 L741 V769 | T699-L703 HydrophobicContact CG2-CD1 4.03Å; T699-L703 HydrophobicContact CG2-CG 4.34Å; T699-L703 WeakPolarHBondContact O-CG 3.32Å; T699-L703 PolarHBondContact O-N 2.98Å; G700-L703 PolarHBondContact O-N 3.4Å; E701-L703 PolarHBondContact O-N 3.46Å; L703-T706 WeakPolarHBondContact O-CB 3.25Å; L703-T706 PolarHBondContact O-N 3.03Å; L703-L707 WeakPolarHBondContact O-CB 3.42Å; L703-L707 PolarHBondContact O-N 3.13Å; L703-V723 HydrophobicContact CD2-CG1 4.29Å; L703-V723 HydrophobicContact CD2-CG2 3.76Å; L703-L738 HydrophobicContact CD1-CD2 4.42Å; L703-L738 WeakPolarHBondContact CD1-O 3.38Å; L703-L741 HydrophobicContact CB-CD2 4.42Å; L703-L741 HydrophobicContact CB-CG 4.33Å; L703-L741 HydrophobicContact CD2-CD1 3.66Å; L703-L741 HydrophobicContact CD2-CG 3.97Å; L703-L741 WeakPolarHBondContact O-CD2 3.42Å; L703-V769 HydrophobicContact CD1-CG1 4.2Å; L703-V769 HydrophobicContact CD1-CG2 4.09Å |
| 704 | E | 93.8 | Very high | 90.4 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68 | -42.2 | 175.3 | -161.2 | -159.4 | -152.7 | 0 | 0 | 112.3 | G700 E701 T706 L707 K708 T736 V740 | G700-E704 PolarHBondContact O-N 3.45Å; E701-E704 PolarHBondContact O-N 3.06Å; E704-T706 VanDerWaalsContact C-N 3.32Å; E704-T706 PolarHBondContact O-N 2.92Å; E704-L707 WeakPolarHBondContact O-CB 3.3Å; E704-L707 PolarHBondContact O-N 3.48Å; E704-K708 VanDerWaalsContact CD-CE 3.42Å; E704-K708 HydrophobicContact CG-CD 4.15Å; E704-K708 WeakPolarHBondContact O-CB 3.16Å; E704-K708 WeakPolarHBondContact O-CG 3.31Å; E704-K708 PolarHBondContact O-N 3.12Å; E704-K708 VanDerWaalsContact OE1-CE 3.23Å; E704-K708 WeakPolarHBondContact OE1-CE 3.34Å; E704-K708 IonicContact OE1-NZ 2.68Å; E704-K708 PolarHBondContact OE1-NZ 3.13Å; E704-K708 IonicContact OE2-NZ 2.7Å; E704-K708 PolarHBondContact OE2-NZ 3.38Å; E704-T736 HydrophobicContact CB-CG2 3.91Å; E704-V740 HydrophobicContact CB-CG1 4.16Å; E704-V740 HydrophobicContact CG-CG1 4.19Å |
| 705 | V | 93.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 171.7 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | I673 E701 L707 K708 T709 | I673-V705 HydrophobicContact CD1-CG1 3.91Å; E701-V705 WeakPolarHBondContact O-CG2 3.29Å; E701-V705 PolarHBondContact O-N 3.24Å; V705-L707 VanDerWaalsContact C-N 3.32Å; V705-L707 PolarHBondContact O-N 3.25Å; V705-K708 PolarHBondContact O-N 3.44Å; V705-T709 HydrophobicContact CG1-CG2 4.23Å; V705-T709 WeakPolarHBondContact O-CB 2.88Å; V705-T709 WeakPolarHBondContact O-CG2 3.17Å; V705-T709 PolarHBondContact O-N 3.34Å; V705-T709 PolarHBondContact O-OG1 2.91Å |
| 706 | T | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | V617 V619 V663 A702 L703 E704 I710 I711 | V617-T706 HydrophobicContact CG1-CG2 4.06Å; V617-T706 HydrophobicContact CG2-CG2 3.8Å; V619-T706 HydrophobicContact CG2-CG2 3.7Å; V619-T706 WeakPolarHBondContact CG2-OG1 3.25Å; V663-T706 HydrophobicContact CG2-CG2 4.24Å; A702-T706 WeakPolarHBondContact O-CB 3.12Å; A702-T706 PolarHBondContact O-N 3.41Å; A702-T706 PolarHBondContact O-OG1 3.09Å; L703-T706 WeakPolarHBondContact O-CB 3.25Å; L703-T706 PolarHBondContact O-N 3.03Å; E704-T706 VanDerWaalsContact C-N 3.32Å; E704-T706 PolarHBondContact O-N 2.92Å; T706-I710 PolarHBondContact O-N 3.35Å; T706-I711 HydrophobicContact CG2-CD1 3.9Å; T706-I711 HydrophobicContact CG2-CG1 4.34Å; T706-I711 PolarHBondContact O-N 3.19Å; T706-I711 VanDerWaalsContact O-N 3.07Å |
| 707 | L | 94.3 | Very high | 90.9 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -62 | -51.7 | 176.8 | -177.9 | 62.5 | 0 | 0 | 0 | 111.8 | L703 E704 V705 T709 I711 S712 V740 L741 H744 | L703-L707 WeakPolarHBondContact O-CB 3.42Å; L703-L707 PolarHBondContact O-N 3.13Å; E704-L707 WeakPolarHBondContact O-CB 3.3Å; E704-L707 PolarHBondContact O-N 3.48Å; V705-L707 VanDerWaalsContact C-N 3.32Å; V705-L707 PolarHBondContact O-N 3.25Å; L707-T709 PolarHBondContact O-N 2.84Å; L707-I711 HydrophobicContact CD1-CB 4.11Å; L707-I711 HydrophobicContact CD1-CG2 3.79Å; L707-S712 PolarHBondContact O-N 2.86Å; L707-S712 VanDerWaalsContact O-N 3.08Å; L707-V740 HydrophobicContact CB-CG1 4.33Å; L707-V740 HydrophobicContact CD2-CG1 3.62Å; L707-L741 HydrophobicContact CB-CD2 3.9Å; L707-L741 HydrophobicContact CD1-CD2 4.42Å; L707-H744 HydrophobicContact CD1-CB 4.3Å |
| 708 | K | 92.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 43 Ų | 43 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -72.4 | -22.9 | -175.1 | -72.5 | 173.3 | 178.6 | 168.4 | 0 | 114.4 | E704 V705 S712 | E704-K708 VanDerWaalsContact CD-CE 3.42Å; E704-K708 HydrophobicContact CG-CD 4.15Å; E704-K708 WeakPolarHBondContact O-CB 3.16Å; E704-K708 WeakPolarHBondContact O-CG 3.31Å; E704-K708 PolarHBondContact O-N 3.12Å; E704-K708 VanDerWaalsContact OE1-CE 3.23Å; E704-K708 WeakPolarHBondContact OE1-CE 3.34Å; E704-K708 IonicContact OE1-NZ 2.68Å; E704-K708 PolarHBondContact OE1-NZ 3.13Å; E704-K708 IonicContact OE2-NZ 2.7Å; E704-K708 PolarHBondContact OE2-NZ 3.38Å; V705-K708 PolarHBondContact O-N 3.44Å; K708-S712 PolarHBondContact O-OG 2.93Å |
| 709 | T | 89.9 | Confident | 91.3 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -114.1 | -29.8 | -172.7 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | I673 K675 V705 L707 | I673-T709 HydrophobicContact CD1-CG2 4.08Å; K675-T709 WeakPolarHBondContact CE-O 3.14Å; K675-T709 PolarHBondContact NZ-O 3.19Å; V705-T709 HydrophobicContact CG1-CG2 4.23Å; V705-T709 WeakPolarHBondContact O-CB 2.88Å; V705-T709 WeakPolarHBondContact O-CG2 3.17Å; V705-T709 PolarHBondContact O-N 3.34Å; V705-T709 PolarHBondContact O-OG1 2.91Å; L707-T709 PolarHBondContact O-N 2.84Å |
| 710 | I | 92.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -115.6 | -53.6 | -177.8 | -49.9 | -159.7 | 0 | 0 | 0 | 111 | V617 V663 I673 K675 T706 S712 D713 M714 | V617-I710 HydrophobicContact CB-CG2 4.23Å; V617-I710 HydrophobicContact CG2-CB 4.43Å; V617-I710 HydrophobicContact CG2-CD1 3.84Å; V617-I710 HydrophobicContact CG2-CG2 4.18Å; V663-I710 HydrophobicContact CG2-CD1 3.48Å; V663-I710 VanDerWaalsContact CG2-CD1 3.48Å; V663-I710 HydrophobicContact CG2-CG1 4.17Å; I673-I710 HydrophobicContact CG2-CD1 4.08Å; K675-I710 HydrophobicContact CG-CD1 4.34Å; T706-I710 PolarHBondContact O-N 3.35Å; I710-S712 VanDerWaalsContact C-N 3.3Å; I710-S712 PolarHBondContact O-N 2.74Å; I710-D713 PolarHBondContact O-N 3.15Å; I710-M714 HydrophobicContact CG2-CE 3.94Å; I710-M714 WeakPolarHBondContact O-CG 3.44Å; I710-M714 PolarHBondContact O-N 3.37Å |
| 711 | I | 92.4 | Very high | 91.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -68.4 | -30 | -172.3 | -67.6 | 164.4 | 0 | 0 | 0 | 112.3 | V617 T706 L707 D713 M714 K719 L741 V746 | V617-I711 HydrophobicContact CG1-CD1 4.4Å; V617-I711 HydrophobicContact CG1-CG1 4.29Å; T706-I711 HydrophobicContact CG2-CD1 3.9Å; T706-I711 HydrophobicContact CG2-CG1 4.34Å; T706-I711 PolarHBondContact O-N 3.19Å; T706-I711 VanDerWaalsContact O-N 3.07Å; L707-I711 HydrophobicContact CD1-CB 4.11Å; L707-I711 HydrophobicContact CD1-CG2 3.79Å; I711-D713 PolarHBondContact O-N 2.82Å; I711-M714 HydrophobicContact CB-SD 4.43Å; I711-M714 HydrophobicContact CG1-CE 4.28Å; I711-M714 HydrophobicContact CG1-SD 4.05Å; I711-M714 WeakPolarHBondContact O-CB 3.22Å; I711-M714 PolarHBondContact O-N 2.99Å; I711-K719 PolarHBondContact O-NZ 2.99Å; I711-L741 HydrophobicContact CD1-CD1 4.04Å; I711-L741 HydrophobicContact CD1-CD2 3.58Å; I711-L741 HydrophobicContact CD1-CG 4.38Å; I711-V746 HydrophobicContact CD1-CG2 4.27Å; I711-V746 HydrophobicContact CG1-CG2 4.35Å; I711-V746 HydrophobicContact CG2-CG2 3.49Å; I711-V746 VanDerWaalsContact CG2-CG2 3.49Å |
| 712 | S | 90.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -38.6 | 168.6 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | L707 K708 I710 | L707-S712 PolarHBondContact O-N 2.86Å; L707-S712 VanDerWaalsContact O-N 3.08Å; K708-S712 PolarHBondContact O-OG 2.93Å; I710-S712 VanDerWaalsContact C-N 3.3Å; I710-S712 PolarHBondContact O-N 2.74Å |
| 713 | D | 88.5 | Confident | 92.3 | Very high | 96 Ų | 96 | 41.8 Ų | 41.8 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -13.4 | -173.1 | -56.8 | -0.7 | 0 | 0 | 0 | 111.6 | K675 I710 I711 T715 | K675-D713 IonicContact NZ-OD2 2.7Å; K675-D713 PolarHBondContact NZ-OD2 2.91Å; I710-D713 PolarHBondContact O-N 3.15Å; I711-D713 PolarHBondContact O-N 2.82Å; D713-T715 PolarHBondContact O-N 2.82Å |
| 714 | M | 90.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | trans | -65.6 | 128.3 | -180 | -68.3 | -173.5 | 167.5 | 0 | 0 | 111.2 | D615 V617 I710 I711 K719 | D615-M714 HydrophobicContact CB-CB 3.84Å; D615-M714 HydrophobicContact CB-CE 3.94Å; D615-M714 HydrophobicContact CB-CG 3.54Å; D615-M714 HydrophobicContact CB-SD 3.59Å; D615-M714 VanDerWaalsContact CB-SD 3.59Å; D615-M714 VanDerWaalsContact OD2-C 3.31Å; D615-M714 WeakPolarHBondContact OD2-CA 3.37Å; D615-M714 VanDerWaalsContact OD2-CB 3.27Å; D615-M714 WeakPolarHBondContact OD2-CB 3.46Å; V617-M714 HydrophobicContact CB-CE 3.79Å; V617-M714 HydrophobicContact CG1-CE 3.78Å; I710-M714 HydrophobicContact CG2-CE 3.94Å; I710-M714 WeakPolarHBondContact O-CG 3.44Å; I710-M714 PolarHBondContact O-N 3.37Å; I711-M714 HydrophobicContact CB-SD 4.43Å; I711-M714 HydrophobicContact CG1-CE 4.28Å; I711-M714 HydrophobicContact CG1-SD 4.05Å; I711-M714 WeakPolarHBondContact O-CB 3.22Å; I711-M714 PolarHBondContact O-N 2.99Å; M714-K719 HydrophobicContact CB-CD 3.75Å; M714-K719 VanDerWaalsContact CB-CE 3.47Å; M714-K719 HydrophobicContact CB-CG 4.12Å; M714-K719 WeakPolarHBondContact O-CE 3.18Å; M714-K719 PolarHBondContact O-NZ 2.82Å; M714-K719 HydrophobicContact SD-CB 4.05Å; M714-K719 HydrophobicContact SD-CD 4.15Å; M714-K719 HydrophobicContact SD-CG 4.11Å | ||
| 715 | T | 88.2 | Confident | 92.1 | Very high | 109 Ų | 109 | 39.1 Ų | 39.1 | 67% | 0.669 | 21% | 0.205 | S | C | * | . | trans | -113.7 | -13.8 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 114 | D615 D713 | D615-T715 PolarHBondContact OD2-N 2.91Å; D713-T715 PolarHBondContact O-N 2.82Å | ||
| 716 | K | 89 | Confident | 91.5 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 18% | 0.183 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -82.2 | 156.1 | 179.9 | -42.9 | -51.9 | 154.8 | 173.5 | 0 | 111.3 | P613 D615 N656 E657 N718 K719 | P613-K716 HydrophobicContact CB-CD 4.38Å; P613-K716 HydrophobicContact CB-CG 4.47Å; P613-K716 WeakPolarHBondContact O-CB 3.21Å; D615-K716 HydrophobicContact CB-CG 4.49Å; D615-K716 VanDerWaalsContact CG-CG 3.48Å; D615-K716 WeakPolarHBondContact OD1-CG 3.28Å; D615-K716 WeakPolarHBondContact OD2-CG 3.28Å; D615-K716 PolarHBondContact OD2-N 2.95Å; N656-K716 PolarHBondContact O-NZ 3.07Å; E657-K716 WeakPolarHBondContact O-CD 3.49Å; E657-K716 WeakPolarHBondContact O-CE 3.17Å; E657-K716 PolarHBondContact O-NZ 3.08Å; K716-N718 VanDerWaalsContact C-N 3.34Å; K716-K719 WeakPolarHBondContact O-CE 3.35Å; K716-K719 VanDerWaalsContact O-CG 3.29Å; K716-K719 WeakPolarHBondContact O-CG 3.31Å |
| 717 | E | 85 | Confident | 90.1 | Very high | 194 Ų | 194 | 38 Ų | 38 | 91% | 0.907 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -69 | -34 | 173.8 | -63.8 | 179.1 | 164.4 | 0 | 0 | 111.8 | K719 | E717-K719 PolarHBondContact O-N 3.5Š|
| 718 | N | 89.3 | Confident | 88.9 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 80.1 | 176.9 | -166.2 | 27.6 | 0 | 0 | 0 | 110.9 | V614 D615 K716 I802 A805 | V614-N718 WeakPolarHBondContact CA-O 3.36Å; V614-N718 WeakPolarHBondContact CG2-O 3.4Å; D615-N718 PolarHBondContact N-O 3.11Å; K716-N718 VanDerWaalsContact C-N 3.34Å; N718-I802 PolarHBondContact ND2-O 3Å; N718-A805 HydrophobicContact CB-CB 4.32Å |
| 719 | K | 93.1 | Very high | 88.1 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.6 | 171.1 | -55.4 | -172 | 177.5 | -164.1 | 0 | 110.6 | I711 M714 K716 E717 V746 L747 K776 | I711-K719 PolarHBondContact O-NZ 2.99Å; M714-K719 HydrophobicContact CB-CD 3.75Å; M714-K719 VanDerWaalsContact CB-CE 3.47Å; M714-K719 HydrophobicContact CB-CG 4.12Å; M714-K719 WeakPolarHBondContact O-CE 3.18Å; M714-K719 PolarHBondContact O-NZ 2.82Å; M714-K719 HydrophobicContact SD-CB 4.05Å; M714-K719 HydrophobicContact SD-CD 4.15Å; M714-K719 HydrophobicContact SD-CG 4.11Å; K716-K719 WeakPolarHBondContact O-CE 3.35Å; K716-K719 VanDerWaalsContact O-CG 3.29Å; K716-K719 WeakPolarHBondContact O-CG 3.31Å; E717-K719 PolarHBondContact O-N 3.5Å; K719-V746 HydrophobicContact CB-CB 4.39Å; K719-V746 HydrophobicContact CB-CG1 4.38Å; K719-V746 HydrophobicContact CB-CG2 4.03Å; K719-V746 HydrophobicContact CD-CG2 4.26Å; K719-L747 PolarHBondContact O-N 3.2Å; K719-K776 PolarHBondContact O-NZ 3.23Å |
| 720 | V | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 132.7 | -179.8 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | V614 D615 L616 V617 L747 I802 | V614-V720 HydrophobicContact CG2-CG2 4.03Å; D615-V720 PolarHBondContact O-N 2.76Å; L616-V720 WeakPolarHBondContact CA-O 3.49Å; L616-V720 HydrophobicContact CD1-CB 4.01Å; L616-V720 HydrophobicContact CD1-CG1 4.08Å; V617-V720 PolarHBondContact N-O 2.86Å; V720-L747 CarbonylContact C-O 3.52Å; V720-L747 WeakPolarHBondContact CA-O 3.06Å; V720-L747 HydrophobicContact CG2-CB 4.35Å; V720-L747 HydrophobicContact CG2-CD2 4.49Å; V720-I802 HydrophobicContact CG1-CG1 4.24Å; V720-I802 HydrophobicContact CG2-CG2 4.35Å |
| 721 | A | 96.6 | Very high | 86 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V617 L741 V746 L747 V748 G749 | V617-A721 HydrophobicContact CG1-CB 3.58Å; V617-A721 CarbonylContact O-C 3.54Å; V617-A721 WeakPolarHBondContact O-CA 3.48Å; A721-L741 HydrophobicContact CB-CD1 4.05Å; A721-V746 HydrophobicContact CB-CG1 3.75Å; A721-L747 PolarHBondContact N-O 3.19Å; A721-V748 HydrophobicContact CB-CG1 4.45Å; A721-V748 HydrophobicContact CB-CG2 4.5Å; A721-V748 CarbonylContact O-C 3.53Å; A721-V748 WeakPolarHBondContact O-CA 3.25Å; A721-G749 PolarHBondContact O-N 3.39Å |
| 722 | L | 97.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.9 | 171.7 | -67.1 | -178.9 | 0 | 0 | 0 | 109 | L616 V617 F618 V619 L724 G749 F779 I798 I802 | L616-L722 HydrophobicContact CD1-CD1 4.49Å; L616-L722 HydrophobicContact CD1-CG 4.45Å; V617-L722 PolarHBondContact O-N 3.27Å; F618-L722 CarbonylContact C-O 3.56Å; F618-L722 WeakPolarHBondContact CA-O 3.32Å; F618-L722 HydrophobicContact CD1-CB 4.06Å; F618-L722 HydrophobicContact CD1-CD1 4.17Å; F618-L722 HydrophobicContact CE1-CB 4.44Å; F618-L722 HydrophobicContact CE1-CD1 3.7Å; F618-L722 HydrophobicContact CZ-CD1 4.4Å; V619-L722 PolarHBondContact N-O 2.72Å; L722-L724 HydrophobicContact CB-CD1 4.39Å; L722-G749 CarbonylContact C-O 3.55Å; L722-G749 WeakPolarHBondContact CA-O 3.47Å; L722-F779 HydrophobicContact CD2-CE2 4.27Å; L722-F779 HydrophobicContact CD2-CZ 3.95Å; L722-I798 HydrophobicContact CD1-CG2 3.94Å; L722-I802 HydrophobicContact CD1-CD1 4.05Å |
| 723 | V | 95.9 | Very high | 84 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 108.1 | -177 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | V619 L703 V748 G749 L751 V769 | V619-V723 HydrophobicContact CB-CB 4.46Å; V619-V723 HydrophobicContact CB-CG1 4.24Å; V619-V723 HydrophobicContact CB-CG2 4.2Å; V619-V723 HydrophobicContact CG1-CG1 4.45Å; V619-V723 HydrophobicContact CG2-CG2 4.35Å; V619-V723 CarbonylContact O-C 3.54Å; V619-V723 WeakPolarHBondContact O-CA 3.42Å; L703-V723 HydrophobicContact CD2-CG1 4.29Å; L703-V723 HydrophobicContact CD2-CG2 3.76Å; V723-V748 HydrophobicContact CG2-CG1 3.94Å; V723-G749 PolarHBondContact N-O 2.82Å; V723-L751 PolarHBondContact O-N 2.91Å; V723-V769 HydrophobicContact CB-CG1 3.92Å; V723-V769 HydrophobicContact CG1-CG1 3.93Å; V723-V769 HydrophobicContact CG2-CG1 3.86Å |
| 724 | L | 94.8 | Very high | 83.7 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123 | 176.1 | -72.7 | 74.5 | 0 | 0 | 0 | 108.7 | F618 V619 D621 A634 F637 L722 L751 L789 | F618-L724 HydrophobicContact CD1-CD1 4.44Å; V619-L724 PolarHBondContact O-N 3.33Å; D621-L724 WeakPolarHBondContact CB-O 3.32Å; D621-L724 PolarHBondContact N-O 3.03Å; A634-L724 HydrophobicContact CB-CD2 4.12Å; F637-L724 HydrophobicContact CD1-CD1 4.37Å; F637-L724 HydrophobicContact CD1-CD2 3.71Å; F637-L724 HydrophobicContact CE1-CD1 4.03Å; F637-L724 HydrophobicContact CE1-CD2 4.06Å; F637-L724 HydrophobicContact CE1-CG 4.46Å; L722-L724 HydrophobicContact CB-CD1 4.39Å; L724-L751 HydrophobicContact CD1-CD1 4.04Å; L724-L751 HydrophobicContact CG-CB 4.28Å; L724-L751 HydrophobicContact CG-CD1 4.11Å; L724-L789 HydrophobicContact CD2-CD1 4.04Å; L724-L789 HydrophobicContact CD2-CD2 4.44Å |
| 725 | T | 90 | Very high | 83.4 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 159.4 | -179 | 175.9 | 0 | 0 | 0 | 0 | 111 | D621 Y665 G727 L751 G752 I753 L766 | D621-T725 PolarHBondContact OD2-OG1 2.8Å; D621-T725 VanDerWaalsContact OD2-OG1 3.06Å; Y665-T725 WeakPolarHBondContact OH-CB 3.27Å; T725-G727 PolarHBondContact O-N 2.8Å; T725-G727 PolarHBondContact OG1-N 2.9Å; T725-L751 PolarHBondContact N-O 3.11Å; T725-L751 VanDerWaalsContact N-O 3.1Å; T725-G752 WeakPolarHBondContact O-CA 3.4Å; T725-I753 PolarHBondContact O-N 2.75Å; T725-L766 HydrophobicContact CG2-CD2 4.01Å |
| 726 | D | 79.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -72.8 | 4.7 | 164.4 | 79.6 | -8.1 | 0 | 0 | 0 | 113.2 | D621 S625 I626 R728 I753 D755 P761 | D621-D726 PolarHBondContact OD2-N 3.25Å; S625-D726 WeakPolarHBondContact CB-OD2 3.23Å; S625-D726 PolarHBondContact OG-OD2 2.88Å; I626-D726 HydrophobicContact CD1-CB 4Å; D726-R728 PolarHBondContact OD1-N 2.99Å; D726-R728 IonicContact OD2-NH1 3.16Å; D726-I753 WeakPolarHBondContact CA-O 2.99Å; D726-D755 HydrophobicContact CB-CB 4.34Å; D726-P761 VanDerWaalsContact O-CA 3.27Å; D726-P761 WeakPolarHBondContact O-CA 3.18Å; D726-P761 WeakPolarHBondContact O-CB 3.45Å | ||
| 727 | G | 65.9 | Low | 83.4 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 73.6 | 27.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T725 N762 | T725-G727 PolarHBondContact O-N 2.8Å; T725-G727 PolarHBondContact OG1-N 2.9Å; G727-N762 VanDerWaalsContact O-CB 3.22Å; G727-N762 WeakPolarHBondContact O-CB 3.21Å; G727-N762 PolarHBondContact O-N 2.99Å |
| 728 | R | 70.1 | Confident | 83.6 | Confident | 71 Ų | 71 | 38.1 Ų | 38.1 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | trans | -129.8 | 109.8 | 171.7 | -58.1 | -173.8 | -167 | 121.6 | 19.7 | 111.1 | T697 D726 D755 E760 | T697-R728 VanDerWaalsContact CB-O 3.28Å; T697-R728 WeakPolarHBondContact CB-O 3.33Å; T697-R728 WeakPolarHBondContact CG2-O 3.49Å; D726-R728 PolarHBondContact OD1-N 2.99Å; D726-R728 IonicContact OD2-NH1 3.16Å; R728-D755 IonicContact CZ-OD2 2.81Å; R728-D755 VanDerWaalsContact CZ-OD2 3.32Å; R728-D755 IonicContact NH1-OD2 3.72Å; R728-D755 PolarHBondContact NH1-OD2 3.37Å; R728-D755 IonicContact NH2-OD2 3.99Å; R728-D755 PolarHBondContact NH2-OD2 2.84Å; R728-E760 PolarHBondContact NH2-O 3.25Å | ||
| 729 | S | 74.3 | Confident | 83.7 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | trans | -86.7 | 140.2 | 154.7 | -146.5 | 0 | 0 | 0 | 0 | 109.6 | T697 T699 I731 D734 | T697-S729 WeakPolarHBondContact O-CA 3.47Å; T697-S729 PolarHBondContact O-OG 3.01Å; T699-S729 WeakPolarHBondContact CB-OG 3.32Å; T699-S729 PolarHBondContact N-OG 3.21Å; S729-I731 PolarHBondContact O-N 2.57Å; S729-D734 PolarHBondContact OG-OD2 3.25Å | ||
| 730 | D | 73.6 | Confident | 83.7 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | trans | -75.8 | 73.2 | 166.7 | -167.8 | -26.7 | 0 | 0 | 0 | 110.1 | T697 T732 R733 D734 | T697-D730 PolarHBondContact O-N 2.92Å; D730-T732 PolarHBondContact O-N 3.44Å; D730-T732 PolarHBondContact OD1-N 3.06Å; D730-T732 PolarHBondContact OD1-OG1 3.09Å; D730-R733 PolarHBondContact O-N 3.04Å; D730-R733 PolarHBondContact OD1-N 3.24Å; D730-R733 IonicContact OD2-CZ 3.13Å; D730-R733 IonicContact OD2-NE 2.73Å; D730-R733 PolarHBondContact OD2-NE 3.41Å; D730-R733 IonicContact OD2-NH2 2.69Å; D730-R733 PolarHBondContact OD2-NH2 2.97Å; D730-D734 WeakPolarHBondContact O-CB 3.44Å; D730-D734 PolarHBondContact O-N 2.58Å | ||
| 731 | I | 65.6 | Low | 83.6 | Confident | 103 Ų | 103 | 41.2 Ų | 41.2 | 53% | 0.528 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -2.8 | 179.7 | 62.3 | 170.6 | 0 | 0 | 0 | 114.4 | S729 L738 | S729-I731 PolarHBondContact O-N 2.57Å; I731-L738 HydrophobicContact CG2-CD1 4.48Å |
| 732 | T | 67.6 | Low | 83.4 | Confident | 124 Ų | 124 | 42.7 Ų | 42.7 | 76% | 0.761 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -23.8 | 173.4 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | D730 | D730-T732 PolarHBondContact O-N 3.44Å; D730-T732 PolarHBondContact OD1-N 3.06Å; D730-T732 PolarHBondContact OD1-OG1 3.09Å |
| 733 | R | 74.8 | Confident | 83 | Confident | 146 Ų | 146 | 45.9 Ų | 45.9 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -29.4 | 177.5 | -63.5 | -172.8 | -78 | 164.2 | -3.2 | 113 | Y698 D730 | Y698-R733 HydrophobicContact CE1-CB 4.3Å; Y698-R733 HydrophobicContact CE2-CB 4.45Å; Y698-R733 WeakPolarHBondContact OH-CB 3.43Å; D730-R733 PolarHBondContact O-N 3.04Å; D730-R733 PolarHBondContact OD1-N 3.24Å; D730-R733 IonicContact OD2-CZ 3.13Å; D730-R733 IonicContact OD2-NE 2.73Å; D730-R733 PolarHBondContact OD2-NE 3.41Å; D730-R733 IonicContact OD2-NH2 2.69Å; D730-R733 PolarHBondContact OD2-NH2 2.97Å |
| 734 | D | 81 | Confident | 82.7 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | trans | -90.7 | 100.4 | 170 | -178.9 | 8.8 | 0 | 0 | 0 | 109.2 | Y698 T699 G700 E701 S729 D730 T736 | Y698-D734 VanDerWaalsContact C-OD2 3.31Å; Y698-D734 HydrophobicContact CD2-CB 4.1Å; Y698-D734 HydrophobicContact CG-CB 4.15Å; T699-D734 PolarHBondContact N-OD2 3.36Å; G700-D734 VanDerWaalsContact CA-OD2 3.29Å; G700-D734 WeakPolarHBondContact CA-OD2 3.22Å; G700-D734 PolarHBondContact N-OD2 3Å; E701-D734 PolarHBondContact N-OD1 2.98Å; E701-D734 PolarHBondContact N-OD2 3.37Å; S729-D734 PolarHBondContact OG-OD2 3.25Å; D730-D734 WeakPolarHBondContact O-CB 3.44Å; D730-D734 PolarHBondContact O-N 2.58Å; D734-T736 PolarHBondContact O-N 3.05Å; D734-T736 VanDerWaalsContact OD1-CB 3.31Å; D734-T736 WeakPolarHBondContact OD1-CB 3.47Å; D734-T736 PolarHBondContact OD1-N 3.44Å; D734-T736 VanDerWaalsContact OD1-N 3.15Å; D734-T736 PolarHBondContact OD1-OG1 3.35Å | ||
| 735 | S | 83.7 | Confident | 82.4 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | trans | -79 | -0.6 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 736 | T | 88.3 | Confident | 82.5 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -86.6 | 131.5 | -174 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | G700 E704 D734 V740 | G700-T736 VanDerWaalsContact C-CG2 3.41Å; G700-T736 VanDerWaalsContact O-CG2 3.25Å; G700-T736 WeakPolarHBondContact O-CG2 3.27Å; E704-T736 HydrophobicContact CB-CG2 3.91Å; D734-T736 PolarHBondContact O-N 3.05Å; D734-T736 VanDerWaalsContact OD1-CB 3.31Å; D734-T736 WeakPolarHBondContact OD1-CB 3.47Å; D734-T736 PolarHBondContact OD1-N 3.44Å; D734-T736 VanDerWaalsContact OD1-N 3.15Å; D734-T736 PolarHBondContact OD1-OG1 3.35Å; T736-V740 HydrophobicContact CG2-CG2 4.04Å |
| 737 | P | 89.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | trans | -62.3 | 149.7 | -179.9 | -22.2 | 33.1 | 0 | 0 | 0 | 113.2 | D739 V740 | P737-D739 VanDerWaalsContact C-N 3.34Å; P737-D739 WeakPolarHBondContact CB-OD1 3.31Å; P737-V740 HydrophobicContact CB-CG2 4.14Å; P737-V740 HydrophobicContact CG-CG2 4.46Å; P737-V740 WeakPolarHBondContact O-CG2 3.45Å | ||
| 738 | L | 89.9 | Confident | 84.5 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14.1 | 178.4 | -66.3 | 179 | 0 | 0 | 0 | 113.3 | T699 L703 I731 Q765 V769 | T699-L738 HydrophobicContact CG2-CD2 4.08Å; L703-L738 HydrophobicContact CD1-CD2 4.42Å; L703-L738 WeakPolarHBondContact CD1-O 3.38Å; I731-L738 HydrophobicContact CG2-CD1 4.48Å; L738-Q765 HydrophobicContact CD1-CB 3.76Å; L738-Q765 HydrophobicContact CD1-CG 3.79Å; L738-V769 HydrophobicContact CB-CG2 3.89Å; L738-V769 HydrophobicContact CD1-CG2 4.38Å; L738-V769 HydrophobicContact CD2-CG2 4.23Å; L738-V769 HydrophobicContact CG-CG2 4.4Å; L738-V769 WeakPolarHBondContact O-CA 3.31Å |
| 739 | D | 90.7 | Very high | 85.7 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 14.3 | 179.5 | 63.9 | -21 | 0 | 0 | 0 | 113.5 | P737 L741 C742 | P737-D739 VanDerWaalsContact C-N 3.34Å; P737-D739 WeakPolarHBondContact CB-OD1 3.31Å; D739-L741 PolarHBondContact O-N 3.25Å; D739-L741 VanDerWaalsContact O-N 3.14Å; D739-C742 WeakPolarHBondContact O-CB 3.09Å; D739-C742 PolarHBondContact O-N 2.9Å; D739-C742 PolarHBondContact O-SG 3.07Å |
| 740 | V | 92.9 | Very high | 86.6 | Confident | 29 Ų | 29 | 49 Ų | 49 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30 | -178.3 | 164.5 | 0 | 0 | 0 | 0 | 113.7 | E704 L707 T736 P737 C742 H744 | E704-V740 HydrophobicContact CB-CG1 4.16Å; E704-V740 HydrophobicContact CG-CG1 4.19Å; L707-V740 HydrophobicContact CB-CG1 4.33Å; L707-V740 HydrophobicContact CD2-CG1 3.62Å; T736-V740 HydrophobicContact CG2-CG2 4.04Å; P737-V740 HydrophobicContact CB-CG2 4.14Å; P737-V740 HydrophobicContact CG-CG2 4.46Å; P737-V740 WeakPolarHBondContact O-CG2 3.45Å; V740-C742 VanDerWaalsContact C-N 3.28Å; V740-C742 PolarHBondContact O-N 3.13Å; V740-H744 PolarHBondContact O-ND1 3.49Å |
| 741 | L | 93.2 | Very high | 87.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -15.5 | 176.8 | -60 | -164.5 | 0 | 0 | 0 | 113.7 | L703 L707 I711 A721 D739 V748 | L703-L741 HydrophobicContact CB-CD2 4.42Å; L703-L741 HydrophobicContact CB-CG 4.33Å; L703-L741 HydrophobicContact CD2-CD1 3.66Å; L703-L741 HydrophobicContact CD2-CG 3.97Å; L703-L741 WeakPolarHBondContact O-CD2 3.42Å; L707-L741 HydrophobicContact CB-CD2 3.9Å; L707-L741 HydrophobicContact CD1-CD2 4.42Å; I711-L741 HydrophobicContact CD1-CD1 4.04Å; I711-L741 HydrophobicContact CD1-CD2 3.58Å; I711-L741 HydrophobicContact CD1-CG 4.38Å; A721-L741 HydrophobicContact CB-CD1 4.05Å; D739-L741 PolarHBondContact O-N 3.25Å; D739-L741 VanDerWaalsContact O-N 3.14Å; L741-V748 HydrophobicContact CB-CG2 3.95Å; L741-V748 HydrophobicContact CD1-CG1 4.37Å; L741-V748 HydrophobicContact CD1-CG2 4.1Å |
| 742 | C | 92.8 | Very high | 88.9 | Confident | 31 Ų | 31 | 42 Ų | 42 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 155 | -176.1 | -45.2 | 0 | 0 | 0 | 0 | 111.1 | D739 V740 H744 C771 | D739-C742 WeakPolarHBondContact O-CB 3.09Å; D739-C742 PolarHBondContact O-N 2.9Å; D739-C742 PolarHBondContact O-SG 3.07Å; V740-C742 VanDerWaalsContact C-N 3.28Å; V740-C742 PolarHBondContact O-N 3.13Å; C742-H744 PolarHBondContact O-N 3.19Å; C742-H744 PolarHBondContact O-ND1 3.24Å; C742-C771 WeakPolarHBondContact CA-SG 3.3Å; C742-C771 HydrophobicContact CB-CB 3.85Å; C742-C771 WeakPolarHBondContact CB-SG 3.26Å; C742-C771 PolarHBondContact N-SG 2.99Å; C742-C771 VanDerWaalsContact N-SG 3.38Å; C742-C771 WeakPolarHBondContact SG-CA 3.13Å; C742-C771 WeakPolarHBondContact SG-CB 3.2Å; C742-C771 CovalentContact SG-SG 2.03Å; C742-C771 PolarHBondContact SG-SG 3.4Å |
| 743 | G | 87.8 | Confident | 89.9 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 68% | 0.68 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -12.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D774 | G743-D774 PolarHBondContact N-OD2 2.8Š|
| 744 | H | 90.1 | Very high | 90.4 | Very high | 101 Ų | 101 | 31 Ų | 31 | 47% | 0.468 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -93.7 | 8.4 | -173.3 | -63.4 | 90.4 | 0 | 0 | 0 | 114.8 | L707 V740 C742 V746 | L707-H744 HydrophobicContact CD1-CB 4.3Å; V740-H744 PolarHBondContact O-ND1 3.49Å; C742-H744 PolarHBondContact O-N 3.19Å; C742-H744 PolarHBondContact O-ND1 3.24Å; H744-V746 VanDerWaalsContact C-N 3.26Å; H744-V746 HydrophobicContact CB-CG2 4.47Å; H744-V746 PolarHBondContact O-N 3.41Å |
| 745 | G | 88.4 | Confident | 90 | Very high | 41 Ų | 41 | 31.1 Ų | 31.1 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 76.4 | 5.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K776 | G745-K776 WeakPolarHBondContact O-CD 2.96Å; G745-K776 PolarHBondContact O-NZ 3.16Å |
| 746 | V | 92.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | trans | -80.4 | 138.6 | 177 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | I711 K719 A721 H744 V748 | I711-V746 HydrophobicContact CD1-CG2 4.27Å; I711-V746 HydrophobicContact CG1-CG2 4.35Å; I711-V746 HydrophobicContact CG2-CG2 3.49Å; I711-V746 VanDerWaalsContact CG2-CG2 3.49Å; K719-V746 HydrophobicContact CB-CB 4.39Å; K719-V746 HydrophobicContact CB-CG1 4.38Å; K719-V746 HydrophobicContact CB-CG2 4.03Å; K719-V746 HydrophobicContact CD-CG2 4.26Å; A721-V746 HydrophobicContact CB-CG1 3.75Å; H744-V746 VanDerWaalsContact C-N 3.26Å; H744-V746 HydrophobicContact CB-CG2 4.47Å; H744-V746 PolarHBondContact O-N 3.41Å; V746-V748 HydrophobicContact CG1-CG2 4.28Å | ||
| 747 | L | 93.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 114.6 | 167.1 | -178.3 | 67.1 | 0 | 0 | 0 | 108.4 | K719 V720 A721 K776 F779 | K719-L747 PolarHBondContact O-N 3.2Å; V720-L747 CarbonylContact C-O 3.52Å; V720-L747 WeakPolarHBondContact CA-O 3.06Å; V720-L747 HydrophobicContact CG2-CB 4.35Å; V720-L747 HydrophobicContact CG2-CD2 4.49Å; A721-L747 PolarHBondContact N-O 3.19Å; L747-K776 HydrophobicContact CB-CD 4.28Å; L747-K776 HydrophobicContact CD1-CG 4.44Å; L747-F779 HydrophobicContact CD1-CD1 4.38Å; L747-F779 HydrophobicContact CD1-CE1 4.47Å; L747-F779 HydrophobicContact CD2-CE1 3.96Å; L747-F779 HydrophobicContact CG-CD1 4.39Å; L747-F779 HydrophobicContact CG-CE1 4Å |
| 748 | V | 95.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.3 | -178.4 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | A721 V723 L741 V746 V769 G778 F779 | A721-V748 HydrophobicContact CB-CG1 4.45Å; A721-V748 HydrophobicContact CB-CG2 4.5Å; A721-V748 CarbonylContact O-C 3.53Å; A721-V748 WeakPolarHBondContact O-CA 3.25Å; V723-V748 HydrophobicContact CG2-CG1 3.94Å; L741-V748 HydrophobicContact CB-CG2 3.95Å; L741-V748 HydrophobicContact CD1-CG1 4.37Å; L741-V748 HydrophobicContact CD1-CG2 4.1Å; V746-V748 HydrophobicContact CG1-CG2 4.28Å; V748-V769 HydrophobicContact CG1-CG1 4.37Å; V748-V769 WeakPolarHBondContact CG1-O 3.28Å; V748-G778 CarbonylContact O-C 3.59Å; V748-G778 WeakPolarHBondContact O-CA 3.43Å; V748-F779 PolarHBondContact O-N 2.7Å |
| 749 | G | 94.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | A721 L722 V723 F779 | A721-G749 PolarHBondContact O-N 3.39Å; L722-G749 CarbonylContact C-O 3.55Å; L722-G749 WeakPolarHBondContact CA-O 3.47Å; V723-G749 PolarHBondContact N-O 2.82Å; G749-F779 CarbonylContact C-O 3.59Å; G749-F779 VanDerWaalsContact CA-O 3.31Å; G749-F779 WeakPolarHBondContact CA-O 3.26Å |
| 750 | S | 93.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.8 | 172.9 | 66.9 | 0 | 0 | 0 | 0 | 109.7 | L766 A770 F779 P780 I781 | S750-L766 PolarHBondContact OG-O 3.04Å; S750-A770 WeakPolarHBondContact OG-CB 3.04Å; S750-F779 PolarHBondContact N-O 3.17Å; S750-P780 CarbonylContact O-C 3.58Å; S750-P780 WeakPolarHBondContact O-CA 3.44Å; S750-P780 WeakPolarHBondContact OG-CA 3.16Å; S750-P780 WeakPolarHBondContact OG-CB 3.46Å; S750-I781 PolarHBondContact O-N 3.18Å |
| 751 | L | 94.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 92.6 | -179.1 | -55.7 | -175.4 | 0 | 0 | 0 | 107.3 | F637 V723 L724 T725 I781 L789 F794 I798 | F637-L751 HydrophobicContact CE1-CD1 3.93Å; F637-L751 HydrophobicContact CZ-CD1 3.81Å; V723-L751 PolarHBondContact O-N 2.91Å; L724-L751 HydrophobicContact CD1-CD1 4.04Å; L724-L751 HydrophobicContact CG-CB 4.28Å; L724-L751 HydrophobicContact CG-CD1 4.11Å; T725-L751 PolarHBondContact N-O 3.11Å; T725-L751 VanDerWaalsContact N-O 3.1Å; L751-I781 HydrophobicContact CD2-CB 3.95Å; L751-I781 HydrophobicContact CD2-CD1 4Å; L751-I781 HydrophobicContact CD2-CG1 4.33Å; L751-L789 HydrophobicContact CD1-CD2 4.35Å; L751-F794 HydrophobicContact CD1-CZ 4.18Å; L751-F794 HydrophobicContact CD2-CZ 4.06Å; L751-I798 HydrophobicContact CD2-CD1 4.02Å |
| 752 | G | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T725 I781 V782 L783 | T725-G752 WeakPolarHBondContact O-CA 3.4Å; G752-I781 PolarHBondContact N-O 2.92Å; G752-V782 CarbonylContact O-C 3.59Å; G752-V782 VanDerWaalsContact O-CA 3.29Å; G752-V782 WeakPolarHBondContact O-CA 3.44Å; G752-L783 PolarHBondContact O-N 3.01Å |
| 753 | I | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.9 | -174.5 | -46.4 | 175.6 | 0 | 0 | 0 | 109 | T725 D726 D755 L783 N785 F786 L789 | T725-I753 PolarHBondContact O-N 2.75Å; D726-I753 WeakPolarHBondContact CA-O 2.99Å; I753-D755 PolarHBondContact O-N 2.89Å; I753-L783 HydrophobicContact CD1-CD1 4.47Å; I753-L783 HydrophobicContact CG1-CB 4.27Å; I753-L783 HydrophobicContact CG1-CD1 4.24Å; I753-L783 HydrophobicContact CG2-CB 4.34Å; I753-N785 VanDerWaalsContact CG2-C 3.46Å; I753-F786 HydrophobicContact CB-CD2 4.25Å; I753-F786 HydrophobicContact CB-CE2 3.78Å; I753-F786 HydrophobicContact CB-CZ 3.96Å; I753-F786 HydrophobicContact CD1-CD1 3.75Å; I753-F786 HydrophobicContact CD1-CD2 4.43Å; I753-F786 HydrophobicContact CD1-CE1 3.52Å; I753-F786 HydrophobicContact CD1-CE2 4.22Å; I753-F786 HydrophobicContact CD1-CG 4.19Å; I753-F786 HydrophobicContact CD1-CZ 3.75Å; I753-F786 HydrophobicContact CG1-CZ 4.38Å; I753-F786 HydrophobicContact CG2-CD2 3.47Å; I753-F786 VanDerWaalsContact CG2-CD2 3.47Å; I753-F786 HydrophobicContact CG2-CE2 3.5Å; I753-F786 VanDerWaalsContact CG2-CE2 3.5Å; I753-F786 HydrophobicContact CG2-CG 4.05Å; I753-F786 HydrophobicContact CG2-CZ 4.1Å; I753-L789 HydrophobicContact CD1-CD1 3.77Å; I753-L789 HydrophobicContact CD1-CD2 4.03Å; I753-L789 HydrophobicContact CD1-CG 4.05Å |
| 754 | K | 84.8 | Confident | 84.6 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | trans | -61.4 | 137.9 | 174.9 | -60.1 | -174.9 | 178.9 | 178.4 | 0 | 110.4 | R759 E760 L783 D784 | K754-R759 WeakPolarHBondContact CA-O 3.02Å; K754-E760 HydrophobicContact CD-CG 4.42Å; K754-E760 WeakPolarHBondContact CE-OE1 3.5Å; K754-E760 IonicContact NZ-OE1 3.32Å; K754-E760 PolarHBondContact NZ-OE1 3.38Å; K754-L783 PolarHBondContact N-O 2.74Å; K754-L783 VanDerWaalsContact N-O 3.16Å; K754-D784 WeakPolarHBondContact CB-O 2.96Å; K754-D784 WeakPolarHBondContact CE-OD1 2.92Å; K754-D784 IonicContact NZ-OD1 3.48Å; K754-D784 PolarHBondContact NZ-OD1 3.11Å | ||
| 755 | D | 72.5 | Confident | 84.4 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | trans | -69.7 | 169.9 | -179.6 | 70.2 | 19.5 | 0 | 0 | 0 | 112.1 | D726 R728 I753 S757 G758 R759 | D726-D755 HydrophobicContact CB-CB 4.34Å; R728-D755 IonicContact CZ-OD2 2.81Å; R728-D755 VanDerWaalsContact CZ-OD2 3.32Å; R728-D755 IonicContact NH1-OD2 3.72Å; R728-D755 PolarHBondContact NH1-OD2 3.37Å; R728-D755 IonicContact NH2-OD2 3.99Å; R728-D755 PolarHBondContact NH2-OD2 2.84Å; I753-D755 PolarHBondContact O-N 2.89Å; D755-S757 PolarHBondContact O-N 3.03Å; D755-S757 WeakPolarHBondContact OD1-CA 3.01Å; D755-S757 WeakPolarHBondContact OD1-CB 3.07Å; D755-S757 PolarHBondContact OD1-N 3.33Å; D755-G758 PolarHBondContact O-N 2.82Å; D755-G758 PolarHBondContact OD1-N 3.05Å; D755-R759 PolarHBondContact N-O 3.47Å; D755-R759 PolarHBondContact OD1-N 3.41Å; D755-R759 IonicContact OD1-NE 2.66Å; D755-R759 WeakPolarHBondContact OD2-CB 3.37Å; D755-R759 IonicContact OD2-CZ 2.69Å; D755-R759 IonicContact OD2-NE 3.29Å; D755-R759 PolarHBondContact OD2-NE 3.26Å; D755-R759 IonicContact OD2-NH2 3.05Å; D755-R759 PolarHBondContact OD2-NH2 3.22Å | ||
| 756 | Y | 67.4 | Low | 84.4 | Confident | 150 Ų | 150 | 45 Ų | 45 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.7 | 178 | 78.4 | -104.6 | 0 | 0 | 0 | 113.4 | S625 G758 | S625-Y756 VanDerWaalsContact O-CD1 3.3Å; S625-Y756 WeakPolarHBondContact O-CD1 3.15Å; Y756-G758 VanDerWaalsContact C-N 3.31Å |
| 757 | S | 67.8 | Low | 84.2 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.6 | 176.3 | -42 | 0 | 0 | 0 | 0 | 112.9 | D755 R759 | D755-S757 PolarHBondContact O-N 3.03Å; D755-S757 WeakPolarHBondContact OD1-CA 3.01Å; D755-S757 WeakPolarHBondContact OD1-CB 3.07Å; D755-S757 PolarHBondContact OD1-N 3.33Å; S757-R759 VanDerWaalsContact C-N 3.29Å; S757-R759 PolarHBondContact O-N 3.16Å; S757-R759 PolarHBondContact OG-NH2 2.89Å |
| 758 | G | 68.9 | Low | 84 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | trans | 73.6 | 13.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D755 Y756 | D755-G758 PolarHBondContact O-N 2.82Å; D755-G758 PolarHBondContact OD1-N 3.05Å; Y756-G758 VanDerWaalsContact C-N 3.31Å | ||
| 759 | R | 77.4 | Confident | 83.8 | Confident | 131 Ų | 131 | 51 Ų | 51 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 143.3 | -179.8 | -62.8 | 174.3 | -79.3 | -163.6 | -18.3 | 110.6 | K754 D755 S757 | K754-R759 WeakPolarHBondContact CA-O 3.02Å; D755-R759 PolarHBondContact N-O 3.47Å; D755-R759 PolarHBondContact OD1-N 3.41Å; D755-R759 IonicContact OD1-NE 2.66Å; D755-R759 WeakPolarHBondContact OD2-CB 3.37Å; D755-R759 IonicContact OD2-CZ 2.69Å; D755-R759 IonicContact OD2-NE 3.29Å; D755-R759 PolarHBondContact OD2-NE 3.26Å; D755-R759 IonicContact OD2-NH2 3.05Å; D755-R759 PolarHBondContact OD2-NH2 3.22Å; S757-R759 VanDerWaalsContact C-N 3.29Å; S757-R759 PolarHBondContact O-N 3.16Å; S757-R759 PolarHBondContact OG-NH2 2.89Å |
| 760 | E | 80.9 | Confident | 83.7 | Confident | 114 Ų | 114 | 51 Ų | 51 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 151.4 | -176.4 | -52.5 | -153.4 | 131.9 | 0 | 0 | 113 | R728 K754 | R728-E760 PolarHBondContact NH2-O 3.25Å; K754-E760 HydrophobicContact CD-CG 4.42Å; K754-E760 WeakPolarHBondContact CE-OE1 3.5Å; K754-E760 IonicContact NZ-OE1 3.32Å; K754-E760 PolarHBondContact NZ-OE1 3.38Å |
| 761 | P | 83.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 150.9 | 174.1 | 30.9 | -37 | 0 | 0 | 0 | 112.1 | D726 Q763 L766 V782 | D726-P761 VanDerWaalsContact O-CA 3.27Å; D726-P761 WeakPolarHBondContact O-CA 3.18Å; D726-P761 WeakPolarHBondContact O-CB 3.45Å; P761-Q763 PolarHBondContact O-N 2.81Å; P761-Q763 VanDerWaalsContact O-N 3.17Å; P761-L766 HydrophobicContact CB-CD1 3.98Å; P761-L766 HydrophobicContact CG-CD1 4.07Å; P761-V782 HydrophobicContact CG-CB 4.48Å; P761-V782 HydrophobicContact CG-CG1 3.74Å; P761-V782 HydrophobicContact CG-CG2 4.12Å |
| 762 | N | 84.1 | Confident | 83 | Confident | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | trans | -74.4 | 108.7 | 179.3 | -175.8 | -32.8 | 0 | 0 | 0 | 111 | G727 E764 Q765 L766 | G727-N762 VanDerWaalsContact O-CB 3.22Å; G727-N762 WeakPolarHBondContact O-CB 3.21Å; G727-N762 PolarHBondContact O-N 2.99Å; N762-E764 PolarHBondContact O-N 3.13Å; N762-E764 PolarHBondContact OD1-N 3.5Å; N762-Q765 HydrophobicContact CB-CB 4.12Å; N762-Q765 HydrophobicContact CB-CG 4.14Å; N762-Q765 PolarHBondContact O-N 3.41Å; N762-Q765 PolarHBondContact OD1-N 3.4Å; N762-L766 WeakPolarHBondContact O-CG 3.28Å; N762-L766 PolarHBondContact O-N 2.93Å | ||
| 763 | Q | 83.4 | Confident | 82.5 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | -177.6 | -64.1 | -176.3 | 7.5 | 0 | 0 | 113.3 | P761 Q765 L766 H767 V782 | P761-Q763 PolarHBondContact O-N 2.81Å; P761-Q763 VanDerWaalsContact O-N 3.17Å; Q763-Q765 PolarHBondContact O-N 3.03Å; Q763-L766 PolarHBondContact O-N 2.03Å; Q763-H767 WeakPolarHBondContact O-CB 3.38Å; Q763-H767 PolarHBondContact O-CD2 2.69Å; Q763-H767 PolarHBondContact O-N 3.16Å; Q763-V782 HydrophobicContact CG-CG2 4.43Å |
| 764 | E | 81.9 | Confident | 82.3 | Confident | 160 Ų | 160 | 63.1 Ų | 63.1 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 178.4 | -63.4 | -174 | 161.3 | 0 | 0 | 111.3 | N762 H767 S768 | N762-E764 PolarHBondContact O-N 3.13Å; N762-E764 PolarHBondContact OD1-N 3.5Å; E764-H767 PolarHBondContact O-N 3.4Å; E764-S768 PolarHBondContact O-N 3.16Å |
| 765 | Q | 85.8 | Confident | 82.1 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 174.5 | -68.2 | -171.3 | 2.1 | 0 | 0 | 111.3 | L738 N762 Q763 H767 S768 V769 | L738-Q765 HydrophobicContact CD1-CB 3.76Å; L738-Q765 HydrophobicContact CD1-CG 3.79Å; N762-Q765 HydrophobicContact CB-CB 4.12Å; N762-Q765 HydrophobicContact CB-CG 4.14Å; N762-Q765 PolarHBondContact O-N 3.41Å; N762-Q765 PolarHBondContact OD1-N 3.4Å; Q763-Q765 PolarHBondContact O-N 3.03Å; Q765-H767 VanDerWaalsContact C-N 3.33Å; Q765-H767 PolarHBondContact O-N 2.03Å; Q765-S768 WeakPolarHBondContact O-CB 3.3Å; Q765-S768 PolarHBondContact O-N 2.62Å; Q765-V769 WeakPolarHBondContact O-CG2 3.48Å; Q765-V769 PolarHBondContact O-N 3.48Å |
| 766 | L | 88.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.2 | -68.2 | 175.6 | 0 | 0 | 0 | 112.9 | T725 S750 P761 N762 Q763 S768 V769 A770 P780 V782 | T725-L766 HydrophobicContact CG2-CD2 4.01Å; S750-L766 PolarHBondContact OG-O 3.04Å; P761-L766 HydrophobicContact CB-CD1 3.98Å; P761-L766 HydrophobicContact CG-CD1 4.07Å; N762-L766 WeakPolarHBondContact O-CG 3.28Å; N762-L766 PolarHBondContact O-N 2.93Å; Q763-L766 PolarHBondContact O-N 2.03Å; L766-S768 VanDerWaalsContact C-N 3.35Å; L766-V769 PolarHBondContact O-N 2.67Å; L766-A770 VanDerWaalsContact O-CB 3.26Å; L766-A770 WeakPolarHBondContact O-CB 3.48Å; L766-A770 PolarHBondContact O-N 2.96Å; L766-P780 HydrophobicContact CB-CB 4.23Å; L766-V782 HydrophobicContact CD1-CG2 3.75Å |
| 767 | H | 88.8 | Confident | 83.4 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 43% | 0.431 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 175.8 | -89.5 | -79 | 0 | 0 | 0 | 112.5 | Q763 E764 Q765 A772 | Q763-H767 WeakPolarHBondContact O-CB 3.38Å; Q763-H767 PolarHBondContact O-CD2 2.69Å; Q763-H767 PolarHBondContact O-N 3.16Å; E764-H767 PolarHBondContact O-N 3.4Å; Q765-H767 VanDerWaalsContact C-N 3.33Å; Q765-H767 PolarHBondContact O-N 2.03Å; H767-A772 PolarHBondContact O-N 3.35Å |
| 768 | S | 88.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.4 | -50 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | E764 Q765 L766 A770 C771 | E764-S768 PolarHBondContact O-N 3.16Å; Q765-S768 WeakPolarHBondContact O-CB 3.3Å; Q765-S768 PolarHBondContact O-N 2.62Å; L766-S768 VanDerWaalsContact C-N 3.35Å; S768-A770 VanDerWaalsContact C-N 3.31Å; S768-A770 PolarHBondContact O-N 3.21Å; S768-C771 PolarHBondContact O-N 3.21Å; S768-C771 VanDerWaalsContact O-N 3.09Å |
| 769 | V | 91.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L703 V723 L738 V748 Q765 L766 C771 | L703-V769 HydrophobicContact CD1-CG1 4.2Å; L703-V769 HydrophobicContact CD1-CG2 4.09Å; V723-V769 HydrophobicContact CB-CG1 3.92Å; V723-V769 HydrophobicContact CG1-CG1 3.93Å; V723-V769 HydrophobicContact CG2-CG1 3.86Å; L738-V769 HydrophobicContact CB-CG2 3.89Å; L738-V769 HydrophobicContact CD1-CG2 4.38Å; L738-V769 HydrophobicContact CD2-CG2 4.23Å; L738-V769 HydrophobicContact CG-CG2 4.4Å; L738-V769 WeakPolarHBondContact O-CA 3.31Å; V748-V769 HydrophobicContact CG1-CG1 4.37Å; V748-V769 WeakPolarHBondContact CG1-O 3.28Å; Q765-V769 WeakPolarHBondContact O-CG2 3.48Å; Q765-V769 PolarHBondContact O-N 3.48Å; L766-V769 PolarHBondContact O-N 2.67Å; V769-C771 PolarHBondContact O-N 3.2Å; V769-C771 VanDerWaalsContact O-N 3.15Å |
| 770 | A | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 3.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S750 L766 S768 A772 G778 P780 | S750-A770 WeakPolarHBondContact OG-CB 3.04Å; L766-A770 VanDerWaalsContact O-CB 3.26Å; L766-A770 WeakPolarHBondContact O-CB 3.48Å; L766-A770 PolarHBondContact O-N 2.96Å; S768-A770 VanDerWaalsContact C-N 3.31Å; S768-A770 PolarHBondContact O-N 3.21Å; A770-A772 VanDerWaalsContact C-N 3.25Å; A770-A772 PolarHBondContact O-N 2.86Å; A770-G778 CarbonylContact O-C 3.55Å; A770-G778 WeakPolarHBondContact O-CA 3.36Å; A770-G778 PolarHBondContact O-N 3.41Å; A770-P780 HydrophobicContact CB-CB 4.11Å; A770-P780 HydrophobicContact CB-CG 4.3Å |
| 771 | C | 91.4 | Very high | 86.7 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.8 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | C742 S768 V769 N773 D774 | C742-C771 WeakPolarHBondContact CA-SG 3.3Å; C742-C771 HydrophobicContact CB-CB 3.85Å; C742-C771 WeakPolarHBondContact CB-SG 3.26Å; C742-C771 PolarHBondContact N-SG 2.99Å; C742-C771 VanDerWaalsContact N-SG 3.38Å; C742-C771 WeakPolarHBondContact SG-CA 3.13Å; C742-C771 WeakPolarHBondContact SG-CB 3.2Å; C742-C771 CovalentContact SG-SG 2.03Å; C742-C771 PolarHBondContact SG-SG 3.4Å; S768-C771 PolarHBondContact O-N 3.21Å; S768-C771 VanDerWaalsContact O-N 3.09Å; V769-C771 PolarHBondContact O-N 3.2Å; V769-C771 VanDerWaalsContact O-N 3.15Å; C771-N773 PolarHBondContact O-N 2.62Å; C771-D774 HydrophobicContact CB-CB 4Å; C771-D774 VanDerWaalsContact O-CB 3.27Å; C771-D774 WeakPolarHBondContact O-CB 3.46Å; C771-D774 PolarHBondContact O-N 3.05Å |
| 772 | A | 83.1 | Confident | 87.1 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H767 A770 | H767-A772 PolarHBondContact O-N 3.35Å; A770-A772 VanDerWaalsContact C-N 3.25Å; A770-A772 PolarHBondContact O-N 2.86Å |
| 773 | N | 80.8 | Confident | 87.3 | Confident | 171 Ų | 171 | 58.4 Ų | 58.4 | 91% | 0.914 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 10.6 | -179.9 | -63.6 | -39 | 0 | 0 | 0 | 113.9 | C771 | C771-N773 PolarHBondContact O-N 2.62Š|
| 774 | D | 85.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.1 | 164.6 | -179.1 | -158.7 | -66.4 | 0 | 0 | 0 | 112.8 | G743 C771 K776 P777 | G743-D774 PolarHBondContact N-OD2 2.8Å; C771-D774 HydrophobicContact CB-CB 4Å; C771-D774 VanDerWaalsContact O-CB 3.27Å; C771-D774 WeakPolarHBondContact O-CB 3.46Å; C771-D774 PolarHBondContact O-N 3.05Å; D774-K776 PolarHBondContact O-N 3.22Å; D774-K776 PolarHBondContact OD1-N 2.75Å; D774-P777 WeakPolarHBondContact O-CD 3.48Å |
| 775 | K | 80.7 | Confident | 87.6 | Confident | 213 Ų | 213 | 54.2 Ų | 54.2 | 93% | 0.926 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -60.2 | -29.2 | 166 | -65.1 | 178 | -178.9 | 173.3 | 0 | 112.3 | P777 | K775-P777 WeakPolarHBondContact O-CD 3.34Š|
| 776 | K | 81.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 27% | 0.274 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -116.1 | 76.5 | 171.4 | -166.4 | -170.1 | -168.2 | -168.6 | 0 | 108.4 | K719 G745 L747 D774 G778 | K719-K776 PolarHBondContact O-NZ 3.23Å; G745-K776 WeakPolarHBondContact O-CD 2.96Å; G745-K776 PolarHBondContact O-NZ 3.16Å; L747-K776 HydrophobicContact CB-CD 4.28Å; L747-K776 HydrophobicContact CD1-CG 4.44Å; D774-K776 PolarHBondContact O-N 3.22Å; D774-K776 PolarHBondContact OD1-N 2.75Å; K776-G778 PolarHBondContact O-N 3.18Å |
| 777 | P | 86.2 | Confident | 87.5 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 49% | 0.494 | 30% | 0.303 | S | S | . | . | trans | -61.9 | 129.1 | -173.1 | 26.6 | -34.7 | 0 | 0 | 0 | 110.1 | D774 K775 | D774-P777 WeakPolarHBondContact O-CD 3.48Å; K775-P777 WeakPolarHBondContact O-CD 3.34Å | ||
| 778 | G | 89.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | trans | -78.9 | -168.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | V748 A770 K776 | V748-G778 CarbonylContact O-C 3.59Å; V748-G778 WeakPolarHBondContact O-CA 3.43Å; A770-G778 CarbonylContact O-C 3.55Å; A770-G778 WeakPolarHBondContact O-CA 3.36Å; A770-G778 PolarHBondContact O-N 3.41Å; K776-G778 PolarHBondContact O-N 3.18Å | ||
| 779 | F | 91.8 | Very high | 87.5 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.066 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 112.9 | -174.2 | 54.9 | -87.8 | 0 | 0 | 0 | 112.1 | L722 L747 V748 G749 S750 I781 I798 R801 | L722-F779 HydrophobicContact CD2-CE2 4.27Å; L722-F779 HydrophobicContact CD2-CZ 3.95Å; L747-F779 HydrophobicContact CD1-CD1 4.38Å; L747-F779 HydrophobicContact CD1-CE1 4.47Å; L747-F779 HydrophobicContact CD2-CE1 3.96Å; L747-F779 HydrophobicContact CG-CD1 4.39Å; L747-F779 HydrophobicContact CG-CE1 4Å; V748-F779 PolarHBondContact O-N 2.7Å; G749-F779 CarbonylContact C-O 3.59Å; G749-F779 VanDerWaalsContact CA-O 3.31Å; G749-F779 WeakPolarHBondContact CA-O 3.26Å; S750-F779 PolarHBondContact N-O 3.17Å; F779-I781 HydrophobicContact CD2-CD1 3.82Å; F779-I781 HydrophobicContact CD2-CG1 4.17Å; F779-I781 HydrophobicContact CE2-CD1 4.16Å; F779-I798 HydrophobicContact CE2-CD1 4Å; F779-R801 VanDerWaalsContact CB-NH1 3.26Å; F779-R801 HydrophobicContact CE1-CB 4Å; F779-R801 HydrophobicContact CZ-CB 3.93Å |
| 780 | P | 92.4 | Very high | 87.6 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.6 | 166.4 | 31.8 | -30.1 | 0 | 0 | 0 | 110 | S750 L766 A770 | S750-P780 CarbonylContact O-C 3.58Å; S750-P780 WeakPolarHBondContact O-CA 3.44Å; S750-P780 WeakPolarHBondContact OG-CA 3.16Å; S750-P780 WeakPolarHBondContact OG-CB 3.46Å; L766-P780 HydrophobicContact CB-CB 4.23Å; A770-P780 HydrophobicContact CB-CB 4.11Å; A770-P780 HydrophobicContact CB-CG 4.3Å |
| 781 | I | 90.9 | Very high | 87.5 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.5 | 171.7 | -58.5 | 172.7 | 0 | 0 | 0 | 107.5 | S750 L751 G752 F779 L783 F794 I798 | S750-I781 PolarHBondContact O-N 3.18Å; L751-I781 HydrophobicContact CD2-CB 3.95Å; L751-I781 HydrophobicContact CD2-CD1 4Å; L751-I781 HydrophobicContact CD2-CG1 4.33Å; G752-I781 PolarHBondContact N-O 2.92Å; F779-I781 HydrophobicContact CD2-CD1 3.82Å; F779-I781 HydrophobicContact CD2-CG1 4.17Å; F779-I781 HydrophobicContact CE2-CD1 4.16Å; I781-L783 HydrophobicContact CG2-CD2 3.7Å; I781-L783 HydrophobicContact CG2-CG 4.22Å; I781-F794 HydrophobicContact CD1-CE2 4.15Å; I781-F794 HydrophobicContact CG2-CE2 4.18Å; I781-I798 HydrophobicContact CD1-CD1 3.79Å |
| 782 | V | 90.4 | Very high | 87.2 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.3 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | G752 P761 Q763 L766 | G752-V782 CarbonylContact O-C 3.59Å; G752-V782 VanDerWaalsContact O-CA 3.29Å; G752-V782 WeakPolarHBondContact O-CA 3.44Å; P761-V782 HydrophobicContact CG-CB 4.48Å; P761-V782 HydrophobicContact CG-CG1 3.74Å; P761-V782 HydrophobicContact CG-CG2 4.12Å; Q763-V782 HydrophobicContact CG-CG2 4.43Å; L766-V782 HydrophobicContact CD1-CG2 3.75Å |
| 783 | L | 89.7 | Confident | 87.4 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.9 | 179.8 | -57.9 | 178.8 | 0 | 0 | 0 | 110.6 | G752 I753 K754 I781 N785 V788 L789 F794 | G752-L783 PolarHBondContact O-N 3.01Å; I753-L783 HydrophobicContact CD1-CD1 4.47Å; I753-L783 HydrophobicContact CG1-CB 4.27Å; I753-L783 HydrophobicContact CG1-CD1 4.24Å; I753-L783 HydrophobicContact CG2-CB 4.34Å; K754-L783 PolarHBondContact N-O 2.74Å; K754-L783 VanDerWaalsContact N-O 3.16Å; I781-L783 HydrophobicContact CG2-CD2 3.7Å; I781-L783 HydrophobicContact CG2-CG 4.22Å; L783-N785 VanDerWaalsContact C-N 3.34Å; L783-N785 PolarHBondContact O-N 2.87Å; L783-V788 HydrophobicContact CD2-CB 4.48Å; L783-V788 HydrophobicContact CD2-CG1 3.93Å; L783-L789 HydrophobicContact CD1-CD2 3.54Å; L783-L789 HydrophobicContact CD1-CG 4.21Å; L783-F794 HydrophobicContact CD1-CE1 4.17Å; L783-F794 HydrophobicContact CD1-CE2 4.16Å; L783-F794 HydrophobicContact CD1-CZ 3.78Å; L783-F794 HydrophobicContact CD2-CD2 4.08Å; L783-F794 HydrophobicContact CD2-CE2 3.8Å; L783-F794 HydrophobicContact CD2-CZ 4.28Å |
| 784 | D | 85.4 | Confident | 87.9 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 57% | 0.567 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -71.1 | -25.8 | -177.7 | -76.4 | -54.3 | 0 | 0 | 0 | 114 | K754 | K754-D784 WeakPolarHBondContact CB-O 2.96Å; K754-D784 WeakPolarHBondContact CE-OD1 2.92Å; K754-D784 IonicContact NZ-OD1 3.48Å; K754-D784 PolarHBondContact NZ-OD1 3.11Å |
| 785 | N | 85.6 | Confident | 88.2 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -164.9 | 169.1 | 177.1 | 63.5 | 81.9 | 0 | 0 | 0 | 111.2 | I753 L783 G787 V788 | I753-N785 VanDerWaalsContact CG2-C 3.46Å; L783-N785 VanDerWaalsContact C-N 3.34Å; L783-N785 PolarHBondContact O-N 2.87Å; N785-G787 VanDerWaalsContact C-N 3.29Å; N785-G787 PolarHBondContact O-N 2.61Å; N785-G787 VanDerWaalsContact OD1-CA 3.28Å; N785-G787 WeakPolarHBondContact OD1-CA 3.41Å; N785-G787 PolarHBondContact OD1-N 3.35Å; N785-V788 PolarHBondContact O-N 3.39Å; N785-V788 PolarHBondContact OD1-N 2.85Å |
| 786 | F | 86.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -69.3 | -18.5 | -179.8 | -78.2 | -100.7 | 0 | 0 | 0 | 114.5 | I626 N630 L633 I753 V788 L789 | I626-F786 HydrophobicContact CD1-CZ 3.73Å; I626-F786 HydrophobicContact CG2-CE1 4.12Å; I626-F786 HydrophobicContact CG2-CZ 3.88Å; N630-F786 HydrophobicContact CB-CB 4.2Å; N630-F786 HydrophobicContact CB-CD1 3.82Å; N630-F786 HydrophobicContact CB-CD2 3.59Å; N630-F786 HydrophobicContact CB-CE1 4.08Å; N630-F786 HydrophobicContact CB-CE2 3.89Å; N630-F786 HydrophobicContact CB-CG 3.58Å; N630-F786 HydrophobicContact CB-CZ 4.14Å; N630-F786 VanDerWaalsContact CG-CD2 3.45Å; N630-F786 WeakPolarHBondContact O-CD1 3.42Å; L633-F786 HydrophobicContact CB-CB 4.2Å; L633-F786 HydrophobicContact CD1-CB 3.75Å; I753-F786 HydrophobicContact CB-CD2 4.25Å; I753-F786 HydrophobicContact CB-CE2 3.78Å; I753-F786 HydrophobicContact CB-CZ 3.96Å; I753-F786 HydrophobicContact CD1-CD1 3.75Å; I753-F786 HydrophobicContact CD1-CD2 4.43Å; I753-F786 HydrophobicContact CD1-CE1 3.52Å; I753-F786 HydrophobicContact CD1-CE2 4.22Å; I753-F786 HydrophobicContact CD1-CG 4.19Å; I753-F786 HydrophobicContact CD1-CZ 3.75Å; I753-F786 HydrophobicContact CG1-CZ 4.38Å; I753-F786 HydrophobicContact CG2-CD2 3.47Å; I753-F786 VanDerWaalsContact CG2-CD2 3.47Å; I753-F786 HydrophobicContact CG2-CE2 3.5Å; I753-F786 VanDerWaalsContact CG2-CE2 3.5Å; I753-F786 HydrophobicContact CG2-CG 4.05Å; I753-F786 HydrophobicContact CG2-CZ 4.1Å; F786-V788 VanDerWaalsContact C-N 3.31Å; F786-V788 PolarHBondContact O-N 2.98Å; F786-L789 HydrophobicContact CD1-CD1 3.84Å; F786-L789 WeakPolarHBondContact O-CB 3.11Å; F786-L789 PolarHBondContact O-N 3.39Å |
| 787 | G | 85.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -65.4 | -34 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N785 L789 L790 | N785-G787 VanDerWaalsContact C-N 3.29Å; N785-G787 PolarHBondContact O-N 2.61Å; N785-G787 VanDerWaalsContact OD1-CA 3.28Å; N785-G787 WeakPolarHBondContact OD1-CA 3.41Å; N785-G787 PolarHBondContact OD1-N 3.35Å; G787-L789 PolarHBondContact O-N 3.25Å; G787-L789 VanDerWaalsContact O-N 3.14Å; G787-L790 PolarHBondContact O-N 2.9Å |
| 788 | V | 88.7 | Confident | 89.2 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -60 | -26 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | L783 N785 F786 L790 E791 F794 | L783-V788 HydrophobicContact CD2-CB 4.48Å; L783-V788 HydrophobicContact CD2-CG1 3.93Å; N785-V788 PolarHBondContact O-N 3.39Å; N785-V788 PolarHBondContact OD1-N 2.85Å; F786-V788 VanDerWaalsContact C-N 3.31Å; F786-V788 PolarHBondContact O-N 2.98Å; V788-L790 PolarHBondContact O-N 2.91Å; V788-E791 WeakPolarHBondContact O-CB 3.22Å; V788-E791 PolarHBondContact O-N 3.08Å; V788-E791 VanDerWaalsContact O-N 3.14Å; V788-F794 WeakPolarHBondContact O-CD1 3.41Å |
| 789 | L | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -57 | -32 | 175 | -68.2 | 176.1 | 0 | 0 | 0 | 112.7 | F637 L724 L751 I753 L783 F786 G787 F794 L795 | F637-L789 HydrophobicContact CB-CB 4.03Å; F637-L789 HydrophobicContact CB-CD1 4.19Å; F637-L789 HydrophobicContact CD1-CD2 4.4Å; F637-L789 HydrophobicContact CD2-CB 3.74Å; F637-L789 HydrophobicContact CD2-CD2 4.12Å; F637-L789 HydrophobicContact CD2-CG 4.44Å; F637-L789 WeakPolarHBondContact CD2-O 3.35Å; F637-L789 HydrophobicContact CE1-CD2 4.45Å; F637-L789 HydrophobicContact CE2-CB 4.41Å; F637-L789 HydrophobicContact CE2-CD2 4.14Å; F637-L789 HydrophobicContact CG-CB 3.99Å; F637-L789 HydrophobicContact CG-CD1 4.32Å; F637-L789 HydrophobicContact CG-CD2 4.21Å; F637-L789 HydrophobicContact CG-CG 4.43Å; F637-L789 HydrophobicContact CZ-CD2 4.29Å; L724-L789 HydrophobicContact CD2-CD1 4.04Å; L724-L789 HydrophobicContact CD2-CD2 4.44Å; L751-L789 HydrophobicContact CD1-CD2 4.35Å; I753-L789 HydrophobicContact CD1-CD1 3.77Å; I753-L789 HydrophobicContact CD1-CD2 4.03Å; I753-L789 HydrophobicContact CD1-CG 4.05Å; L783-L789 HydrophobicContact CD1-CD2 3.54Å; L783-L789 HydrophobicContact CD1-CG 4.21Å; F786-L789 HydrophobicContact CD1-CD1 3.84Å; F786-L789 WeakPolarHBondContact O-CB 3.11Å; F786-L789 PolarHBondContact O-N 3.39Å; G787-L789 PolarHBondContact O-N 3.25Å; G787-L789 VanDerWaalsContact O-N 3.14Å; L789-F794 HydrophobicContact CD2-CE1 3.78Å; L789-F794 HydrophobicContact CD2-CZ 4.29Å; L789-L795 WeakPolarHBondContact O-CD2 3.3Å; L789-L795 WeakPolarHBondContact O-CG 3.38Å |
| 790 | L | 92.1 | Very high | 89 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -96.8 | 2.7 | -177.2 | -58.5 | -179.9 | 0 | 0 | 0 | 113.2 | L633 D636 F637 G787 V788 | L633-L790 HydrophobicContact CD2-CD1 3.92Å; D636-L790 HydrophobicContact CB-CD1 4.35Å; D636-L790 HydrophobicContact CB-CD2 4.29Å; F637-L790 HydrophobicContact CB-CD2 4.22Å; G787-L790 PolarHBondContact O-N 2.9Å; V788-L790 PolarHBondContact O-N 2.91Å |
| 791 | E | 90.4 | Very high | 88.9 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | trans | -69.8 | 137.3 | 175.8 | -74.7 | 179 | -153.1 | 0 | 0 | 111.9 | V788 S793 F794 L795 | V788-E791 WeakPolarHBondContact O-CB 3.22Å; V788-E791 PolarHBondContact O-N 3.08Å; V788-E791 VanDerWaalsContact O-N 3.14Å; E791-S793 VanDerWaalsContact C-N 3.32Å; E791-S793 PolarHBondContact O-N 3.04Å; E791-F794 HydrophobicContact CB-CB 4.26Å; E791-F794 PolarHBondContact O-N 3.19Å; E791-L795 WeakPolarHBondContact O-CB 3.38Å; E791-L795 WeakPolarHBondContact O-CG 3.27Å; E791-L795 PolarHBondContact O-N 3.01Å | ||
| 792 | D | 85.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | -172.4 | -161.3 | 78.5 | 0 | 0 | 0 | 112.6 | R644 L795 Q796 | R644-D792 IonicContact CZ-OD1 3.75Å; R644-D792 IonicContact CZ-OD2 3.57Å; R644-D792 PolarHBondContact NH1-O 3.3Å; R644-D792 IonicContact NH1-OD1 2.61Å; R644-D792 PolarHBondContact NH1-OD1 3.19Å; R644-D792 IonicContact NH1-OD2 2.83Å; R644-D792 PolarHBondContact NH1-OD2 2.6Å; R644-D792 IonicContact NH2-OD1 2.67Å; R644-D792 PolarHBondContact NH2-OD1 3.16Å; R644-D792 IonicContact NH2-OD2 3.46Å; R644-D792 PolarHBondContact NH2-OD2 3.2Å; R644-D792 VanDerWaalsContact NH2-OD2 3.09Å; D792-L795 PolarHBondContact O-N 2.72Å; D792-Q796 WeakPolarHBondContact O-CB 3.28Å; D792-Q796 VanDerWaalsContact O-CG 3.26Å; D792-Q796 WeakPolarHBondContact O-CG 3.45Å; D792-Q796 PolarHBondContact O-N 3.31Å; D792-Q796 PolarHBondContact OD2-NE2 2.72Å |
| 793 | S | 86.5 | Confident | 88.6 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.6 | -41.4 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | E791 N797 | E791-S793 VanDerWaalsContact C-N 3.32Å; E791-S793 PolarHBondContact O-N 3.04Å; S793-N797 WeakPolarHBondContact O-CB 2.96Å; S793-N797 PolarHBondContact O-N 3.09Å; S793-N797 VanDerWaalsContact O-N 3.12Å |
| 794 | F | 91.3 | Very high | 88 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -48.5 | 176.6 | 176.9 | -106.1 | 0 | 0 | 0 | 110.9 | F637 L751 I781 L783 V788 L789 E791 Q796 N797 I798 | F637-F794 HydrophobicContact CE2-CD1 4.3Å; F637-F794 AromaticContact CE2-CE1 3.67Å; F637-F794 HydrophobicContact CE2-CE1 3.67Å; F637-F794 HydrophobicContact CZ-CE1 4.11Å; L751-F794 HydrophobicContact CD1-CZ 4.18Å; L751-F794 HydrophobicContact CD2-CZ 4.06Å; I781-F794 HydrophobicContact CD1-CE2 4.15Å; I781-F794 HydrophobicContact CG2-CE2 4.18Å; L783-F794 HydrophobicContact CD1-CE1 4.17Å; L783-F794 HydrophobicContact CD1-CE2 4.16Å; L783-F794 HydrophobicContact CD1-CZ 3.78Å; L783-F794 HydrophobicContact CD2-CD2 4.08Å; L783-F794 HydrophobicContact CD2-CE2 3.8Å; L783-F794 HydrophobicContact CD2-CZ 4.28Å; V788-F794 WeakPolarHBondContact O-CD1 3.41Å; L789-F794 HydrophobicContact CD2-CE1 3.78Å; L789-F794 HydrophobicContact CD2-CZ 4.29Å; E791-F794 HydrophobicContact CB-CB 4.26Å; E791-F794 PolarHBondContact O-N 3.19Å; F794-Q796 VanDerWaalsContact C-N 3.34Å; F794-Q796 PolarHBondContact O-N 2.68Å; F794-N797 WeakPolarHBondContact O-CB 3.37Å; F794-N797 PolarHBondContact O-N 3.43Å; F794-N797 VanDerWaalsContact O-N 3.13Å; F794-I798 HydrophobicContact CD1-CG1 4.23Å; F794-I798 HydrophobicContact CD2-CG1 4.26Å; F794-I798 HydrophobicContact CE1-CD1 4.42Å; F794-I798 HydrophobicContact CE1-CG1 3.72Å; F794-I798 HydrophobicContact CE2-CD1 3.84Å; F794-I798 HydrophobicContact CE2-CG1 3.73Å; F794-I798 HydrophobicContact CG-CG1 4.48Å; F794-I798 HydrophobicContact CZ-CD1 3.67Å; F794-I798 HydrophobicContact CZ-CG1 3.44Å; F794-I798 VanDerWaalsContact CZ-CG1 3.44Å; F794-I798 WeakPolarHBondContact O-CG1 2.92Å; F794-I798 PolarHBondContact O-N 2.82Å |
| 795 | L | 92.1 | Very high | 87 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -40.8 | 176 | -75.1 | 166.4 | 0 | 0 | 0 | 112.6 | F637 T640 V641 R644 L789 E791 D792 I798 T799 | F637-L795 HydrophobicContact CD2-CD2 3.87Å; F637-L795 HydrophobicContact CE2-CD2 3.83Å; T640-L795 HydrophobicContact CG2-CD1 3.56Å; T640-L795 HydrophobicContact CG2-CD2 4.06Å; T640-L795 HydrophobicContact CG2-CG 4.47Å; V641-L795 HydrophobicContact CG2-CD2 3.69Å; R644-L795 VanDerWaalsContact NH1-CB 3.32Å; L789-L795 WeakPolarHBondContact O-CD2 3.3Å; L789-L795 WeakPolarHBondContact O-CG 3.38Å; E791-L795 WeakPolarHBondContact O-CB 3.38Å; E791-L795 WeakPolarHBondContact O-CG 3.27Å; E791-L795 PolarHBondContact O-N 3.01Å; D792-L795 PolarHBondContact O-N 2.72Å; L795-I798 PolarHBondContact O-N 2.96Å; L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.31Å; L795-T799 PolarHBondContact O-N 3.45Å; L795-T799 PolarHBondContact O-OG1 3.39Å |
| 796 | Q | 85.6 | Confident | 86.2 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 173 | -77.1 | -176.2 | 28.6 | 0 | 0 | 111.8 | D792 F794 T799 A800 | D792-Q796 WeakPolarHBondContact O-CB 3.28Å; D792-Q796 VanDerWaalsContact O-CG 3.26Å; D792-Q796 WeakPolarHBondContact O-CG 3.45Å; D792-Q796 PolarHBondContact O-N 3.31Å; D792-Q796 PolarHBondContact OD2-NE2 2.72Å; F794-Q796 VanDerWaalsContact C-N 3.34Å; F794-Q796 PolarHBondContact O-N 2.68Å; Q796-T799 PolarHBondContact O-OG1 3.24Å; Q796-A800 WeakPolarHBondContact O-CB 3.45Å; Q796-A800 PolarHBondContact O-N 3.45Å |
| 797 | N | 89.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 178.3 | -178.5 | 8 | 0 | 0 | 0 | 111.6 | S793 F794 R801 | S793-N797 WeakPolarHBondContact O-CB 2.96Å; S793-N797 PolarHBondContact O-N 3.09Å; S793-N797 VanDerWaalsContact O-N 3.12Å; F794-N797 WeakPolarHBondContact O-CB 3.37Å; F794-N797 PolarHBondContact O-N 3.43Å; F794-N797 VanDerWaalsContact O-N 3.13Å; N797-R801 WeakPolarHBondContact O-CG 3.26Å; N797-R801 PolarHBondContact O-N 3.37Å; N797-R801 VanDerWaalsContact O-N 3.1Å; N797-R801 PolarHBondContact OD1-NE 2.69Å |
| 798 | I | 93.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -51.3 | 176.8 | -67.5 | -61.6 | 0 | 0 | 0 | 111.4 | F637 V641 L722 L751 F779 I781 F794 L795 A800 R801 I802 | F637-I798 HydrophobicContact CZ-CG2 4.39Å; V641-I798 HydrophobicContact CG2-CG2 4.37Å; L722-I798 HydrophobicContact CD1-CG2 3.94Å; L751-I798 HydrophobicContact CD2-CD1 4.02Å; F779-I798 HydrophobicContact CE2-CD1 4Å; I781-I798 HydrophobicContact CD1-CD1 3.79Å; F794-I798 HydrophobicContact CD1-CG1 4.23Å; F794-I798 HydrophobicContact CD2-CG1 4.26Å; F794-I798 HydrophobicContact CE1-CD1 4.42Å; F794-I798 HydrophobicContact CE1-CG1 3.72Å; F794-I798 HydrophobicContact CE2-CD1 3.84Å; F794-I798 HydrophobicContact CE2-CG1 3.73Å; F794-I798 HydrophobicContact CG-CG1 4.48Å; F794-I798 HydrophobicContact CZ-CD1 3.67Å; F794-I798 HydrophobicContact CZ-CG1 3.44Å; F794-I798 VanDerWaalsContact CZ-CG1 3.44Å; F794-I798 WeakPolarHBondContact O-CG1 2.92Å; F794-I798 PolarHBondContact O-N 2.82Å; L795-I798 PolarHBondContact O-N 2.96Å; I798-A800 VanDerWaalsContact C-N 3.31Å; I798-A800 PolarHBondContact O-N 2.99Å; I798-R801 WeakPolarHBondContact O-CB 3.15Å; I798-R801 PolarHBondContact O-N 3.04Å; I798-I802 HydrophobicContact CG2-CD1 3.91Å; I798-I802 HydrophobicContact CG2-CG1 4.45Å; I798-I802 WeakPolarHBondContact O-CG1 3.3Å; I798-I802 PolarHBondContact O-N 3.1Å |
| 799 | T | 91.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | -179.5 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | V641 R644 L645 H649 L795 Q796 R801 I802 C803 | V641-T799 HydrophobicContact CG1-CG2 4.38Å; R644-T799 HydrophobicContact CB-CG2 3.88Å; L645-T799 HydrophobicContact CD2-CG2 4.06Å; L645-T799 HydrophobicContact CG-CG2 4.01Å; H649-T799 WeakPolarHBondContact NE2-CB 3.44Å; H649-T799 PolarHBondContact NE2-OG1 3.2Å; L795-T799 WeakPolarHBondContact O-CB 3.45Å; L795-T799 WeakPolarHBondContact O-CG2 3.31Å; L795-T799 PolarHBondContact O-N 3.45Å; L795-T799 PolarHBondContact O-OG1 3.39Å; Q796-T799 PolarHBondContact O-OG1 3.24Å; T799-R801 VanDerWaalsContact C-N 3.32Å; T799-R801 PolarHBondContact O-N 3.34Å; T799-I802 PolarHBondContact O-N 2.78Å; T799-C803 WeakPolarHBondContact O-CB 3.41Å; T799-C803 PolarHBondContact O-N 2.68Å |
| 800 | A | 86.6 | Confident | 80 | Confident | 40 Ų | 40 | 65 Ų | 65 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q796 I798 C803 Q804 | Q796-A800 WeakPolarHBondContact O-CB 3.45Å; Q796-A800 PolarHBondContact O-N 3.45Å; I798-A800 VanDerWaalsContact C-N 3.31Å; I798-A800 PolarHBondContact O-N 2.99Å; A800-C803 CarbonylContact O-C 3.47Å; A800-Q804 PolarHBondContact O-N 3.46Å |
| 801 | R | 89.3 | Confident | 78.3 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.5 | -42 | 174.1 | -72.9 | 170.2 | -177 | -102.4 | -1.9 | 112.3 | F779 N797 I798 T799 C803 Q804 | F779-R801 VanDerWaalsContact CB-NH1 3.26Å; F779-R801 HydrophobicContact CE1-CB 4Å; F779-R801 HydrophobicContact CZ-CB 3.93Å; N797-R801 WeakPolarHBondContact O-CG 3.26Å; N797-R801 PolarHBondContact O-N 3.37Å; N797-R801 VanDerWaalsContact O-N 3.1Å; N797-R801 PolarHBondContact OD1-NE 2.69Å; I798-R801 WeakPolarHBondContact O-CB 3.15Å; I798-R801 PolarHBondContact O-N 3.04Å; T799-R801 VanDerWaalsContact C-N 3.32Å; T799-R801 PolarHBondContact O-N 3.34Å; R801-C803 PolarHBondContact O-N 3.46Å; R801-Q804 WeakPolarHBondContact O-CB 3.42Å; R801-Q804 PolarHBondContact O-N 2.31Å |
| 802 | I | 90.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 173 | -61.7 | 167.9 | 0 | 0 | 0 | 110.1 | V614 L616 V641 L645 N718 V720 L722 I798 T799 Q804 | V614-I802 HydrophobicContact CG2-CG2 3.94Å; L616-I802 HydrophobicContact CD1-CD1 4.31Å; L616-I802 HydrophobicContact CD2-CD1 4.43Å; V641-I802 HydrophobicContact CG1-CD1 3.66Å; L645-I802 HydrophobicContact CD1-CD1 3.91Å; L645-I802 HydrophobicContact CD1-CG2 4.07Å; L645-I802 HydrophobicContact CD2-CB 4.15Å; L645-I802 HydrophobicContact CD2-CD1 4.4Å; L645-I802 HydrophobicContact CD2-CG2 3.94Å; N718-I802 PolarHBondContact ND2-O 3Å; V720-I802 HydrophobicContact CG1-CG1 4.24Å; V720-I802 HydrophobicContact CG2-CG2 4.35Å; L722-I802 HydrophobicContact CD1-CD1 4.05Å; I798-I802 HydrophobicContact CG2-CD1 3.91Å; I798-I802 HydrophobicContact CG2-CG1 4.45Å; I798-I802 WeakPolarHBondContact O-CG1 3.3Å; I798-I802 PolarHBondContact O-N 3.1Å; T799-I802 PolarHBondContact O-N 2.78Å; I802-Q804 PolarHBondContact O-N 2.98Å |
| 803 | C | 86.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 30.3 | -179 | -69.7 | 0 | 0 | 0 | 0 | 114.8 | C611 L645 T799 A800 R801 A805 R806 | C611-C803 HydrophobicContact CB-CB 3.66Å; C611-C803 WeakPolarHBondContact CB-SG 3.19Å; C611-C803 WeakPolarHBondContact SG-CA 3.25Å; C611-C803 WeakPolarHBondContact SG-CB 3.15Å; C611-C803 CovalentContact SG-SG 2.04Å; C611-C803 PolarHBondContact SG-SG 2.83Å; L645-C803 WeakPolarHBondContact CD2-SG 3.47Å; T799-C803 WeakPolarHBondContact O-CB 3.41Å; T799-C803 PolarHBondContact O-N 2.68Å; A800-C803 CarbonylContact O-C 3.47Å; R801-C803 PolarHBondContact O-N 3.46Å; C803-A805 VanDerWaalsContact C-N 3.27Å; C803-A805 PolarHBondContact O-N 3.4Å; C803-R806 WeakPolarHBondContact O-CG 3.45Å |
| 804 | Q | 75.2 | Confident | 75.1 | Confident | 147 Ų | 147 | 65.1 Ų | 65.1 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | trans | -63.2 | -34.1 | 175.2 | -168.1 | 176.8 | 19.2 | 0 | 0 | 112.1 | A800 R801 I802 R806 | A800-Q804 PolarHBondContact O-N 3.46Å; R801-Q804 WeakPolarHBondContact O-CB 3.42Å; R801-Q804 PolarHBondContact O-N 2.31Å; I802-Q804 PolarHBondContact O-N 2.98Å; Q804-R806 PolarHBondContact O-N 3.35Å | ||
| 805 | A | 65.9 | Low | 74.9 | Confident | 41 Ų | 41 | 65 Ų | 65 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -80.9 | 101.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A612 N718 C803 | A612-A805 HydrophobicContact CB-CB 4.13Å; A612-A805 VanDerWaalsContact CB-O 3.25Å; A612-A805 WeakPolarHBondContact CB-O 3.45Å; A612-A805 PolarHBondContact N-O 2.77Å; N718-A805 HydrophobicContact CB-CB 4.32Å; C803-A805 VanDerWaalsContact C-N 3.27Å; C803-A805 PolarHBondContact O-N 3.4Å |
| 806 | R | 68.1 | Low | 74.6 | Confident | 151 Ų | 151 | 71.5 Ų | 71.5 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.2 | 178.6 | -60 | -170.9 | 179.7 | -165.9 | -2.6 | 112 | C609 K610 C803 Q804 | C609-R806 HydrophobicContact CB-CB 3.79Å; K610-R806 CarbonylContact O-C 3.55Å; K610-R806 WeakPolarHBondContact O-CA 3.43Å; C803-R806 WeakPolarHBondContact O-CG 3.45Å; Q804-R806 PolarHBondContact O-N 3.35Å |
| 807 | K | 59.2 | Low | 74.7 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 66% | 0.657 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 90.8 | 174.9 | -165.1 | 168 | -174.3 | 170.8 | 0 | 109.6 | K610 A612 | K610-K807 PolarHBondContact N-O 3.1Å; K610-K807 PolarHBondContact O-N 3.39Å; A612-K807 HydrophobicContact CB-CB 4.36Å |
| 808 | C | 58.5 | Low | 74.6 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | trans | -69.9 | 145.8 | 173.3 | -46.9 | 0 | 0 | 0 | 0 | 110.9 | C609 D810 | C609-C808 HydrophobicContact CB-CB 3.86Å; C609-C808 WeakPolarHBondContact CB-SG 3.36Å; C609-C808 WeakPolarHBondContact SG-CB 3.2Å; C609-C808 CovalentContact SG-SG 2.03Å; C609-C808 PolarHBondContact SG-SG 3.38Å; C808-D810 PolarHBondContact O-N 3.37Å | ||
| 809 | P | 51.4 | Low | 74.3 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | trans | -62.9 | 125.8 | 164 | -11.8 | 25.6 | 0 | 0 | 0 | 109.3 | Y811 | P809-Y811 VanDerWaalsContact C-N 3.26Å; P809-Y811 HydrophobicContact CB-CD2 3.89Å; P809-Y811 HydrophobicContact CB-CE2 3.52Å; P809-Y811 HydrophobicContact CG-CE2 4Å; P809-Y811 PolarHBondContact O-N 3.44Å | ||
| 810 | D | 50.6 | Low | 74.2 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | trans | -82.4 | 70.5 | -176 | -164.3 | 16.9 | 0 | 0 | 0 | 111.3 | C808 K812 | C808-D810 PolarHBondContact O-N 3.37Å; D810-K812 VanDerWaalsContact CG-NZ 3.35Å; D810-K812 PolarHBondContact O-N 3.29Å; D810-K812 VanDerWaalsContact OD1-CD 3.22Å; D810-K812 WeakPolarHBondContact OD1-CD 3.32Å; D810-K812 WeakPolarHBondContact OD1-CE 3.35Å; D810-K812 VanDerWaalsContact OD1-CG 3.27Å; D810-K812 WeakPolarHBondContact OD1-CG 3.43Å; D810-K812 IonicContact OD1-NZ 2.72Å; D810-K812 PolarHBondContact OD1-NZ 2.77Å; D810-K812 WeakPolarHBondContact OD2-CD 3.4Å; D810-K812 WeakPolarHBondContact OD2-CE 3.49Å; D810-K812 IonicContact OD2-NZ 3.14Å; D810-K812 PolarHBondContact OD2-NZ 2.86Å | ||
| 811 | Y | 56.8 | Low | 74.5 | Confident | 96 Ų | 96 | 68.8 Ų | 68.8 | 38% | 0.376 | 34% | 0.339 | S | S | . | . | trans | -71 | 65.7 | 171.6 | -67.5 | -59.3 | 0 | 0 | 0 | 110.7 | L596 M600 P809 Q1007 | L596-Y811 HydrophobicContact CD1-CD1 4.05Å; L596-Y811 HydrophobicContact CD1-CG 4.42Å; M600-Y811 HydrophobicContact SD-CD2 4.11Å; M600-Y811 HydrophobicContact SD-CG 4.41Å; P809-Y811 VanDerWaalsContact C-N 3.26Å; P809-Y811 HydrophobicContact CB-CD2 3.89Å; P809-Y811 HydrophobicContact CB-CE2 3.52Å; P809-Y811 HydrophobicContact CG-CE2 4Å; P809-Y811 PolarHBondContact O-N 3.44Å; Y811-Q1007 PolarHBondContact O-NE2 3.06Å; Y811-Q1007 PolarHBondContact O-OE1 2.83Å | ||
| 812 | K | 58.8 | Low | 74.8 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | trans | -83.9 | 112.3 | 170 | -86.6 | 166.1 | -166.5 | 147.9 | 0 | 109.8 | D810 P814 Q1007 | D810-K812 VanDerWaalsContact CG-NZ 3.35Å; D810-K812 PolarHBondContact O-N 3.29Å; D810-K812 VanDerWaalsContact OD1-CD 3.22Å; D810-K812 WeakPolarHBondContact OD1-CD 3.32Å; D810-K812 WeakPolarHBondContact OD1-CE 3.35Å; D810-K812 VanDerWaalsContact OD1-CG 3.27Å; D810-K812 WeakPolarHBondContact OD1-CG 3.43Å; D810-K812 IonicContact OD1-NZ 2.72Å; D810-K812 PolarHBondContact OD1-NZ 2.77Å; D810-K812 WeakPolarHBondContact OD2-CD 3.4Å; D810-K812 WeakPolarHBondContact OD2-CE 3.49Å; D810-K812 IonicContact OD2-NZ 3.14Å; D810-K812 PolarHBondContact OD2-NZ 2.86Å; K812-P814 VanDerWaalsContact O-CD 3.24Å; K812-P814 WeakPolarHBondContact O-CD 3.4Å; K812-Q1007 VanDerWaalsContact CA-OE1 3.31Å | ||
| 813 | C | 67.1 | Low | 75 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | trans | -65.3 | 116.9 | 158.4 | -59.5 | 0 | 0 | 0 | 0 | 107.9 | C593 R851 | C593-C813 VanDerWaalsContact CA-SG 3.53Å; C593-C813 HydrophobicContact CB-CB 3.86Å; C593-C813 WeakPolarHBondContact CB-SG 3.39Å; C593-C813 WeakPolarHBondContact SG-CB 3.36Å; C593-C813 CovalentContact SG-SG 2.03Å; C593-C813 PolarHBondContact SG-SG 3.16Å; C813-R851 PolarHBondContact O-NH2 3.17Å | ||
| 814 | P | 70.2 | Confident | 75.6 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 57% | 0.571 | 32% | 0.324 | S | S | * | . | trans | -63 | 147.9 | 169.7 | 28.2 | -33.7 | 0 | 0 | 0 | 109.1 | K812 | K812-P814 VanDerWaalsContact O-CD 3.24Å; K812-P814 WeakPolarHBondContact O-CD 3.4Å | ||
| 815 | I | 85.4 | Confident | 76.6 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | trans | -126.2 | 140.7 | 171.9 | 62.8 | 166.7 | 0 | 0 | 0 | 108.1 | F817 R851 F852 A855 E856 R1011 | I815-F817 HydrophobicContact CD1-CE2 4.44Å; I815-R851 HydrophobicContact CD1-CB 4.19Å; I815-F852 HydrophobicContact CD1-CD1 3.99Å; I815-F852 HydrophobicContact CD1-CE1 4.48Å; I815-A855 HydrophobicContact CD1-CB 4.17Å; I815-A855 HydrophobicContact CG1-CB 3.83Å; I815-E856 PolarHBondContact O-N 2.89Å; I815-E856 VanDerWaalsContact O-N 3.13Å; I815-R1011 HydrophobicContact CG2-CB 3.73Å; I815-R1011 HydrophobicContact CG2-CG 4.09Å | ||
| 816 | K | 86.2 | Confident | 78.1 | Confident | 141 Ų | 141 | 55.8 Ų | 55.8 | 61% | 0.613 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.8 | -176.1 | 66.5 | 177.8 | -177.8 | 175.2 | 0 | 111.3 | E856 | K816-E856 CarbonylContact C-O 3.58Å; K816-E856 VanDerWaalsContact CA-O 3.24Å; K816-E856 WeakPolarHBondContact CA-O 3.29Å; K816-E856 HydrophobicContact CB-CB 4.06Å |
| 817 | F | 88.5 | Confident | 79.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118.8 | 173.5 | -69.6 | -92.3 | 0 | 0 | 0 | 110.5 | I815 T821 I823 F852 A855 E856 E858 V861 V863 | I815-F817 HydrophobicContact CD1-CE2 4.44Å; F817-T821 HydrophobicContact CD1-CG2 4.4Å; F817-T821 HydrophobicContact CE1-CG2 4.08Å; F817-I823 HydrophobicContact CE1-CD1 4.15Å; F817-I823 HydrophobicContact CZ-CD1 3.87Å; F817-F852 HydrophobicContact CE2-CD1 4.27Å; F817-F852 AromaticContact CZ-CD1 3.86Å; F817-F852 HydrophobicContact CZ-CD1 3.86Å; F817-F852 HydrophobicContact CZ-CE1 4.48Å; F817-A855 HydrophobicContact CD2-CB 3.69Å; F817-A855 HydrophobicContact CE2-CB 3.72Å; F817-E856 PolarHBondContact N-O 2.9Å; F817-E858 PolarHBondContact O-N 3.2Å; F817-V861 HydrophobicContact CB-CG1 3.91Å; F817-V863 HydrophobicContact CB-CG2 3.77Å; F817-V863 HydrophobicContact CD1-CG2 4.05Å; F817-V863 HydrophobicContact CD2-CG2 3.59Å; F817-V863 HydrophobicContact CE2-CG1 4.27Å; F817-V863 HydrophobicContact CE2-CG2 4.13Å; F817-V863 HydrophobicContact CG-CG2 3.53Å; F817-V863 HydrophobicContact CZ-CG1 4.31Å |
| 818 | S | 87 | Confident | 81.1 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -87.8 | -12.9 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | E858 S1016 | S818-E858 VanDerWaalsContact CB-OE1 3.32Å; S818-E858 WeakPolarHBondContact CB-OE1 3.4Å; S818-S1016 PolarHBondContact OG-OG 2.68Å; S818-S1016 VanDerWaalsContact OG-OG 3.14Å |
| 819 | Q | 86.8 | Confident | 82.8 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 39% | 0.393 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -136.9 | 142.2 | -179.4 | -62.7 | -172.3 | -11 | 0 | 0 | 110.5 | T821 R925 | Q819-T821 PolarHBondContact O-N 3.16Å; Q819-T821 PolarHBondContact O-OG1 3.46Å; Q819-R925 HydrophobicContact CB-CG 4.35Å |
| 820 | S | 90.9 | Very high | 84.7 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | trans | -54.9 | 128.5 | 174 | -68.1 | 0 | 0 | 0 | 0 | 109.9 | V862 S924 R925 | S820-V862 CarbonylContact C-O 2.92Å; S820-V862 WeakPolarHBondContact CA-O 3.42Å; S820-V862 WeakPolarHBondContact CB-O 3.32Å; S820-V862 PolarHBondContact OG-N 2.95Å; S820-S924 CarbonylContact O-C 3.51Å; S820-S924 WeakPolarHBondContact O-CA 3.11Å; S820-S924 WeakPolarHBondContact O-CB 3.33Å; S820-R925 PolarHBondContact O-N 2.77Å | ||
| 821 | T | 92.6 | Very high | 86.5 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 127.8 | -167.6 | -60 | 0 | 0 | 0 | 0 | 111.3 | F817 Q819 I823 V862 V863 K864 R925 K927 | F817-T821 HydrophobicContact CD1-CG2 4.4Å; F817-T821 HydrophobicContact CE1-CG2 4.08Å; Q819-T821 PolarHBondContact O-N 3.16Å; Q819-T821 PolarHBondContact O-OG1 3.46Å; T821-I823 HydrophobicContact CG2-CD1 4.39Å; T821-I823 HydrophobicContact CG2-CG1 3.81Å; T821-V862 PolarHBondContact N-O 3.22Å; T821-V863 WeakPolarHBondContact O-CA 3.22Å; T821-K864 PolarHBondContact O-N 2.99Å; T821-R925 CarbonylContact C-O 3.14Å; T821-R925 WeakPolarHBondContact CA-O 3.42Å; T821-R925 HydrophobicContact CG2-CB 4.22Å; T821-K927 HydrophobicContact CG2-CD 4.06Å; T821-K927 HydrophobicContact CG2-CG 4.07Å |
| 822 | N | 94.2 | Very high | 87.9 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.9 | 172.2 | -64.4 | -43.3 | 0 | 0 | 0 | 108.9 | K864 L881 L915 S924 R925 R926 K927 | N822-K864 WeakPolarHBondContact CA-O 3.31Å; N822-K864 WeakPolarHBondContact OD1-CD 3.45Å; N822-L881 HydrophobicContact CB-CD1 3.97Å; N822-L881 HydrophobicContact CB-CD2 3.99Å; N822-L915 HydrophobicContact CB-CD2 4.14Å; N822-S924 PolarHBondContact ND2-OG 3.23Å; N822-S924 VanDerWaalsContact ND2-OG 3.17Å; N822-R925 PolarHBondContact N-O 2.77Å; N822-R926 HydrophobicContact CB-CG 4.34Å; N822-R926 WeakPolarHBondContact O-CA 3.34Å; N822-K927 PolarHBondContact O-N 2.91Å |
| 823 | I | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.4 | -178.9 | -51.4 | 176.8 | 0 | 0 | 0 | 108.6 | F817 T821 V825 F852 V863 K864 V865 G866 K927 V929 V1013 | F817-I823 HydrophobicContact CE1-CD1 4.15Å; F817-I823 HydrophobicContact CZ-CD1 3.87Å; T821-I823 HydrophobicContact CG2-CD1 4.39Å; T821-I823 HydrophobicContact CG2-CG1 3.81Å; I823-V825 HydrophobicContact CG2-CG2 4.36Å; I823-F852 HydrophobicContact CD1-CB 4.16Å; I823-F852 HydrophobicContact CD1-CD1 3.73Å; I823-F852 HydrophobicContact CD1-CD2 3.89Å; I823-F852 HydrophobicContact CD1-CE1 4.01Å; I823-F852 HydrophobicContact CD1-CE2 4.17Å; I823-F852 HydrophobicContact CD1-CG 3.67Å; I823-F852 HydrophobicContact CD1-CZ 4.23Å; I823-F852 HydrophobicContact CG2-CD2 4.46Å; I823-F852 HydrophobicContact CG2-CE2 4.18Å; I823-V863 HydrophobicContact CD1-CG1 4.39Å; I823-K864 PolarHBondContact N-O 3.34Å; I823-V865 HydrophobicContact CB-CG2 4.43Å; I823-V865 CarbonylContact O-C 3.57Å; I823-V865 WeakPolarHBondContact O-CA 3.5Å; I823-G866 PolarHBondContact O-N 2.95Å; I823-K927 WeakPolarHBondContact CA-O 3.46Å; I823-K927 HydrophobicContact CG1-CB 4.49Å; I823-V929 HydrophobicContact CG2-CG2 4.27Å; I823-V1013 HydrophobicContact CD1-CG1 4.13Å; I823-V1013 HydrophobicContact CG2-CG1 4.41Å |
| 824 | L | 97.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.8 | 167.8 | 179 | 61.9 | 0 | 0 | 0 | 109 | L826 G866 L877 A911 L915 K927 L928 V929 | L824-L826 HydrophobicContact CD1-CD2 4.17Å; L824-L826 HydrophobicContact CD2-CD1 4.5Å; L824-L826 HydrophobicContact CD2-CD2 4.12Å; L824-L826 HydrophobicContact CD2-CG 4.22Å; L824-L826 HydrophobicContact CG-CD2 4.06Å; L824-L826 HydrophobicContact CG-CG 4.15Å; L824-G866 WeakPolarHBondContact CA-O 3.08Å; L824-L877 HydrophobicContact CD1-CD1 3.96Å; L824-A911 HydrophobicContact CD2-CB 3.89Å; L824-L915 HydrophobicContact CB-CD1 4.01Å; L824-L915 HydrophobicContact CB-CD2 3.89Å; L824-L915 HydrophobicContact CB-CG 3.97Å; L824-L915 HydrophobicContact CD2-CG 4.24Å; L824-K927 PolarHBondContact N-O 3.19Å; L824-L928 HydrophobicContact CB-CD1 4.42Å; L824-L928 HydrophobicContact CD2-CD1 4.38Å; L824-L928 HydrophobicContact CG-CD1 4.32Å; L824-L928 CarbonylContact O-C 3.4Å; L824-L928 WeakPolarHBondContact O-CA 3.29Å; L824-V929 PolarHBondContact O-N 3.36Å |
| 825 | V | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.1 | 170.8 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | I823 V845 G866 V867 G868 V929 F931 | I823-V825 HydrophobicContact CG2-CG2 4.36Å; V825-V845 HydrophobicContact CB-CG1 4.14Å; V825-V845 HydrophobicContact CG1-CB 4.46Å; V825-V845 HydrophobicContact CG1-CG1 3.86Å; V825-V845 HydrophobicContact CG1-CG2 3.7Å; V825-V845 HydrophobicContact CG2-CG1 4.49Å; V825-G866 PolarHBondContact N-O 3.41Å; V825-V867 HydrophobicContact CB-CG2 4.32Å; V825-V867 WeakPolarHBondContact O-CA 3Å; V825-G868 PolarHBondContact O-N 3.44Å; V825-V929 CarbonylContact C-O 3.58Å; V825-V929 WeakPolarHBondContact CA-O 3.44Å; V825-V929 HydrophobicContact CG1-CB 4.2Å; V825-V929 HydrophobicContact CG1-CG1 4.33Å; V825-V929 HydrophobicContact CG2-CB 4.24Å; V825-F931 HydrophobicContact CG1-CD2 4.47Å; V825-F931 HydrophobicContact CG1-CE2 4.01Å |
| 826 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.9 | 175.7 | -68 | -172.8 | 0 | 0 | 0 | 110.4 | L824 G868 Y870 A907 F910 A911 L928 V929 L930 F931 | L824-L826 HydrophobicContact CD1-CD2 4.17Å; L824-L826 HydrophobicContact CD2-CD1 4.5Å; L824-L826 HydrophobicContact CD2-CD2 4.12Å; L824-L826 HydrophobicContact CD2-CG 4.22Å; L824-L826 HydrophobicContact CG-CD2 4.06Å; L824-L826 HydrophobicContact CG-CG 4.15Å; L826-G868 WeakPolarHBondContact CA-O 3.48Å; L826-Y870 HydrophobicContact CB-CD1 4.34Å; L826-A907 HydrophobicContact CD1-CB 4.22Å; L826-A907 VanDerWaalsContact CD1-O 3.32Å; L826-A907 WeakPolarHBondContact CD1-O 3.25Å; L826-F910 HydrophobicContact CD1-CD1 4.21Å; L826-F910 HydrophobicContact CD2-CD1 3.99Å; L826-F910 HydrophobicContact CD2-CE1 3.96Å; L826-A911 HydrophobicContact CD1-CB 4.07Å; L826-L928 HydrophobicContact CB-CD1 4.39Å; L826-L928 HydrophobicContact CD1-CD1 3.95Å; L826-L928 HydrophobicContact CG-CD1 3.88Å; L826-V929 PolarHBondContact N-O 3.01Å; L826-L930 HydrophobicContact CB-CD1 4.01Å; L826-F931 WeakPolarHBondContact O-CD2 3.42Å; L826-F931 PolarHBondContact O-N 3.01Å |
| 827 | M | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.3 | 175.1 | -61.9 | -179.1 | -63.1 | 0 | 0 | 110.8 | F838 K842 V845 V867 G868 Q869 Y870 | M827-F838 HydrophobicContact CB-CE2 4.07Å; M827-F838 HydrophobicContact CE-CE2 4.24Å; M827-F838 HydrophobicContact CE-CZ 4.18Å; M827-K842 HydrophobicContact CE-CG 4.22Å; M827-K842 HydrophobicContact SD-CG 4.09Å; M827-V845 HydrophobicContact CG-CG2 3.76Å; M827-V845 HydrophobicContact SD-CB 4.01Å; M827-V845 HydrophobicContact SD-CG1 4.34Å; M827-V845 HydrophobicContact SD-CG2 3.82Å; M827-V867 HydrophobicContact CE-CG1 3.8Å; M827-G868 PolarHBondContact N-O 3.12Å; M827-Q869 HydrophobicContact CB-CB 4.3Å; M827-Q869 CarbonylContact O-C 3.6Å; M827-Q869 WeakPolarHBondContact O-CA 3.44Å; M827-Y870 VanDerWaalsContact O-CD1 3.26Å; M827-Y870 WeakPolarHBondContact O-CD1 3.47Å; M827-Y870 PolarHBondContact O-N 3.01Å |
| 828 | D | 94.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.9 | 167.4 | -172.9 | -8.2 | 0 | 0 | 0 | 108.9 | S830 V833 F838 Y870 F931 | D828-S830 VanDerWaalsContact CG-OG 3.27Å; D828-S830 WeakPolarHBondContact OD1-CB 3.26Å; D828-S830 PolarHBondContact OD1-N 3.14Å; D828-S830 PolarHBondContact OD1-OG 3.3Å; D828-S830 PolarHBondContact OD2-OG 3.03Å; D828-V833 HydrophobicContact CB-CG2 3.85Å; D828-V833 VanDerWaalsContact CG-CG2 3.46Å; D828-F838 WeakPolarHBondContact O-CD2 3.43Å; D828-Y870 HydrophobicContact CB-CE1 3.83Å; D828-F931 HydrophobicContact CB-CB 4.14Å |
| 829 | S | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -120.3 | 20.5 | 180 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | Q869 Y870 F897 Q898 N899 | S829-Q869 PolarHBondContact OG-OE1 2.95Å; S829-Y870 PolarHBondContact N-O 3.4Å; S829-Y870 PolarHBondContact OG-O 2.95Å; S829-F897 VanDerWaalsContact C-CE2 3.49Å; S829-F897 WeakPolarHBondContact O-CD2 3.31Å; S829-F897 WeakPolarHBondContact O-CE2 3.46Å; S829-Q898 PolarHBondContact O-N 3.47Å; S829-Q898 WeakPolarHBondContact OG-CG 3.24Å; S829-Q898 PolarHBondContact OG-OE1 3.2Å; S829-N899 PolarHBondContact O-N 2.93Å | ||
| 830 | S | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 162.5 | 177.8 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | D828 S832 V833 G834 F897 E900 G901 T902 | D828-S830 VanDerWaalsContact CG-OG 3.27Å; D828-S830 WeakPolarHBondContact OD1-CB 3.26Å; D828-S830 PolarHBondContact OD1-N 3.14Å; D828-S830 PolarHBondContact OD1-OG 3.3Å; D828-S830 PolarHBondContact OD2-OG 3.03Å; S830-S832 PolarHBondContact O-N 3.13Å; S830-S832 PolarHBondContact OG-OG 3.12Å; S830-V833 WeakPolarHBondContact O-CB 3.38Å; S830-V833 PolarHBondContact O-N 3.2Å; S830-G834 PolarHBondContact O-N 2.96Å; S830-F897 VanDerWaalsContact O-CE2 3.31Å; S830-F897 WeakPolarHBondContact O-CE2 3.36Å; S830-F897 WeakPolarHBondContact O-CZ 3.23Å; S830-E900 CarbonylContact C-O 3.36Å; S830-E900 WeakPolarHBondContact CA-O 3.29Å; S830-E900 VanDerWaalsContact CB-O 3.22Å; S830-E900 WeakPolarHBondContact CB-O 3.43Å; S830-G901 WeakPolarHBondContact CB-O 3.27Å; S830-T902 WeakPolarHBondContact CB-OG1 3.48Å; S830-T902 PolarHBondContact OG-OG1 3.03Å |
| 831 | A | 87.9 | Confident | 93.1 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 46% | 0.455 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V833 G834 E900 | A831-V833 VanDerWaalsContact C-N 3.26Å; A831-V833 PolarHBondContact O-N 2.9Å; A831-G834 PolarHBondContact O-N 3.47Å; A831-E900 PolarHBondContact N-O 2.88Å |
| 832 | S | 87 | Confident | 93.3 | Very high | 79 Ų | 79 | 28.7 Ų | 28.7 | 55% | 0.552 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.7 | 173.7 | 40.9 | 0 | 0 | 0 | 0 | 113.4 | S830 T902 | S830-S832 PolarHBondContact O-N 3.13Å; S830-S832 PolarHBondContact OG-OG 3.12Å; S832-T902 PolarHBondContact OG-OG1 3.03Å |
| 833 | V | 90.4 | Very high | 93.3 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.03 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -56.3 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | D828 S830 A831 N837 F838 Y997 | D828-V833 HydrophobicContact CB-CG2 3.85Å; D828-V833 VanDerWaalsContact CG-CG2 3.46Å; S830-V833 WeakPolarHBondContact O-CB 3.38Å; S830-V833 PolarHBondContact O-N 3.2Å; A831-V833 VanDerWaalsContact C-N 3.26Å; A831-V833 PolarHBondContact O-N 2.9Å; V833-N837 HydrophobicContact CG1-CB 3.74Å; V833-N837 VanDerWaalsContact O-CB 3.26Å; V833-N837 WeakPolarHBondContact O-CB 3.48Å; V833-N837 PolarHBondContact O-ND2 3.24Å; V833-F838 HydrophobicContact CG1-CB 4.28Å; V833-Y997 HydrophobicContact CG1-CE1 3.93Å |
| 834 | G | 89.2 | Confident | 93.3 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | trans | 79.8 | 148.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S830 A831 K836 N837 F838 F897 | S830-G834 PolarHBondContact O-N 2.96Å; A831-G834 PolarHBondContact O-N 3.47Å; G834-K836 PolarHBondContact O-N 3.37Å; G834-N837 PolarHBondContact O-N 3.39Å; G834-N837 VanDerWaalsContact O-N 3.08Å; G834-F838 PolarHBondContact O-N 2.89Å; G834-F897 VanDerWaalsContact C-CZ 3.49Å | ||
| 835 | Q | 90.5 | Very high | 93.2 | Very high | 94 Ų | 94 | 31.2 Ų | 31.2 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -47.8 | -51.7 | -172.1 | -176.6 | 76.2 | 49.8 | 0 | 0 | 113.7 | N837 F838 E839 F897 | Q835-N837 VanDerWaalsContact C-N 3.26Å; Q835-N837 PolarHBondContact O-N 3.1Å; Q835-F838 WeakPolarHBondContact O-CB 3.38Å; Q835-F838 PolarHBondContact O-N 2.95Å; Q835-F838 VanDerWaalsContact O-N 3.1Å; Q835-E839 PolarHBondContact NE2-OE1 2.95Å; Q835-E839 PolarHBondContact O-N 2.92Å; Q835-F897 HydrophobicContact CB-CD1 3.97Å; Q835-F897 HydrophobicContact CB-CE1 4.26Å; Q835-F897 VanDerWaalsContact OE1-CD1 3.31Å |
| 836 | K | 90.4 | Very high | 93.1 | Very high | 168 Ų | 168 | 34 Ų | 34 | 73% | 0.73 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -59.1 | -38.6 | -175.8 | -177.7 | 178.6 | 178.2 | -179.7 | 0 | 112.3 | G834 I840 | G834-K836 PolarHBondContact O-N 3.37Å; K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.43Å |
| 837 | N | 92.4 | Very high | 93 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -76.4 | -33.8 | 178.8 | -69.2 | -24.3 | 0 | 0 | 0 | 111.3 | V833 G834 Q835 I840 S841 Y997 | V833-N837 HydrophobicContact CG1-CB 3.74Å; V833-N837 VanDerWaalsContact O-CB 3.26Å; V833-N837 WeakPolarHBondContact O-CB 3.48Å; V833-N837 PolarHBondContact O-ND2 3.24Å; G834-N837 PolarHBondContact O-N 3.39Å; G834-N837 VanDerWaalsContact O-N 3.08Å; Q835-N837 VanDerWaalsContact C-N 3.26Å; Q835-N837 PolarHBondContact O-N 3.1Å; N837-I840 WeakPolarHBondContact O-CB 3.45Å; N837-I840 PolarHBondContact O-N 3.48Å; N837-S841 PolarHBondContact O-N 3.07Å; N837-S841 PolarHBondContact O-OG 2.95Å; N837-Y997 HydrophobicContact CB-CD1 3.66Å; N837-Y997 HydrophobicContact CB-CD2 3.56Å; N837-Y997 HydrophobicContact CB-CE1 3.93Å; N837-Y997 HydrophobicContact CB-CE2 3.85Å; N837-Y997 HydrophobicContact CB-CG 3.47Å; N837-Y997 VanDerWaalsContact CB-CG 3.47Å |
| 838 | F | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 172.3 | -176.9 | -106 | 0 | 0 | 0 | 112.6 | M827 D828 V833 G834 Q835 I840 S841 K842 Q869 A895 F897 | M827-F838 HydrophobicContact CB-CE2 4.07Å; M827-F838 HydrophobicContact CE-CE2 4.24Å; M827-F838 HydrophobicContact CE-CZ 4.18Å; D828-F838 WeakPolarHBondContact O-CD2 3.43Å; V833-F838 HydrophobicContact CG1-CB 4.28Å; G834-F838 PolarHBondContact O-N 2.89Å; Q835-F838 WeakPolarHBondContact O-CB 3.38Å; Q835-F838 PolarHBondContact O-N 2.95Å; Q835-F838 VanDerWaalsContact O-N 3.1Å; F838-I840 VanDerWaalsContact C-N 3.3Å; F838-I840 PolarHBondContact O-N 3.34Å; F838-S841 WeakPolarHBondContact O-CB 3.19Å; F838-S841 PolarHBondContact O-N 3.37Å; F838-K842 HydrophobicContact CD1-CD 4.31Å; F838-K842 HydrophobicContact CD1-CG 4.39Å; F838-K842 HydrophobicContact CE1-CD 3.81Å; F838-K842 HydrophobicContact CE1-CG 4.05Å; F838-K842 HydrophobicContact CZ-CD 4.35Å; F838-K842 HydrophobicContact CZ-CG 4.24Å; F838-K842 PolarHBondContact O-N 3.36Å; F838-Q869 HydrophobicContact CE2-CB 4.44Å; F838-A895 HydrophobicContact CZ-CB 4.44Å; F838-F897 HydrophobicContact CB-CD2 3.62Å; F838-F897 HydrophobicContact CB-CE2 4.13Å; F838-F897 HydrophobicContact CB-CG 4.36Å; F838-F897 HydrophobicContact CD1-CB 3.72Å; F838-F897 HydrophobicContact CD1-CD2 4.03Å; F838-F897 HydrophobicContact CD1-CG 4.31Å; F838-F897 HydrophobicContact CD2-CD2 4.19Å; F838-F897 HydrophobicContact CE1-CB 4.14Å; F838-F897 HydrophobicContact CG-CB 4.28Å; F838-F897 AromaticContact CG-CD2 3.68Å; F838-F897 HydrophobicContact CG-CD2 3.68Å; F838-F897 HydrophobicContact CG-CG 4.39Å |
| 839 | E | 94.6 | Very high | 93 | Very high | 76 Ų | 76 | 38.1 Ų | 38.1 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 171.7 | -63.8 | -55 | 135.7 | 0 | 0 | 112.5 | Q835 K842 T843 | Q835-E839 PolarHBondContact NE2-OE1 2.95Å; Q835-E839 PolarHBondContact O-N 2.92Å; E839-K842 PolarHBondContact O-N 3.3Å; E839-K842 WeakPolarHBondContact OE1-CE 3.35Å; E839-K842 IonicContact OE1-NZ 3.39Å; E839-K842 PolarHBondContact OE1-NZ 3.41Å; E839-K842 WeakPolarHBondContact OE2-CE 3.37Å; E839-K842 IonicContact OE2-NZ 2.61Å; E839-K842 PolarHBondContact OE2-NZ 3.32Å; E839-T843 PolarHBondContact O-N 2.61Å; E839-T843 PolarHBondContact O-OG1 3.25Å |
| 840 | I | 92.3 | Very high | 93 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.6 | -63.3 | 167.5 | 0 | 0 | 0 | 110.5 | K836 N837 F838 T843 F844 Y997 P998 L1000 L1001 | K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.43Å; N837-I840 WeakPolarHBondContact O-CB 3.45Å; N837-I840 PolarHBondContact O-N 3.48Å; F838-I840 VanDerWaalsContact C-N 3.3Å; F838-I840 PolarHBondContact O-N 3.34Å; I840-T843 WeakPolarHBondContact O-CB 3.48Å; I840-T843 PolarHBondContact O-N 3.32Å; I840-F844 PolarHBondContact O-N 2.91Å; I840-Y997 VanDerWaalsContact CG2-O 3.25Å; I840-Y997 WeakPolarHBondContact CG2-O 3.48Å; I840-P998 HydrophobicContact CD1-CG 4.21Å; I840-L1000 HydrophobicContact CG2-CD1 4.38Å; I840-L1001 HydrophobicContact CG2-CD1 3.86Å; I840-L1001 HydrophobicContact CG2-CG 3.96Å |
| 841 | S | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | N837 F838 T843 F844 V845 Y997 | N837-S841 PolarHBondContact O-N 3.07Å; N837-S841 PolarHBondContact O-OG 2.95Å; F838-S841 WeakPolarHBondContact O-CB 3.19Å; F838-S841 PolarHBondContact O-N 3.37Å; S841-T843 VanDerWaalsContact C-N 3.34Å; S841-T843 PolarHBondContact O-N 3.09Å; S841-F844 PolarHBondContact O-N 3.46Å; S841-V845 WeakPolarHBondContact O-CB 3.49Å; S841-V845 WeakPolarHBondContact O-CG2 3.1Å; S841-V845 PolarHBondContact O-N 3.33Å; S841-Y997 WeakPolarHBondContact OG-CE1 3.22Å |
| 842 | K | 96.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 173.8 | -74.9 | -168.4 | -69.2 | 179.8 | 0 | 111.7 | M827 F838 E839 F844 V845 K846 I892 E893 A895 | M827-K842 HydrophobicContact CE-CG 4.22Å; M827-K842 HydrophobicContact SD-CG 4.09Å; F838-K842 HydrophobicContact CD1-CD 4.31Å; F838-K842 HydrophobicContact CD1-CG 4.39Å; F838-K842 HydrophobicContact CE1-CD 3.81Å; F838-K842 HydrophobicContact CE1-CG 4.05Å; F838-K842 HydrophobicContact CZ-CD 4.35Å; F838-K842 HydrophobicContact CZ-CG 4.24Å; F838-K842 PolarHBondContact O-N 3.36Å; E839-K842 PolarHBondContact O-N 3.3Å; E839-K842 WeakPolarHBondContact OE1-CE 3.35Å; E839-K842 IonicContact OE1-NZ 3.39Å; E839-K842 PolarHBondContact OE1-NZ 3.41Å; E839-K842 WeakPolarHBondContact OE2-CE 3.37Å; E839-K842 IonicContact OE2-NZ 2.61Å; E839-K842 PolarHBondContact OE2-NZ 3.32Å; K842-F844 VanDerWaalsContact C-N 3.31Å; K842-F844 PolarHBondContact O-N 2.04Å; K842-V845 PolarHBondContact O-N 2.9Å; K842-K846 WeakPolarHBondContact O-CB 3.42Å; K842-K846 PolarHBondContact O-N 2.67Å; K842-I892 HydrophobicContact CB-CG2 4.09Å; K842-I892 WeakPolarHBondContact CD-O 3.4Å; K842-I892 HydrophobicContact CG-CG2 4.39Å; K842-I892 WeakPolarHBondContact O-CG2 3.26Å; K842-E893 PolarHBondContact NZ-O 2.9Å; K842-A895 HydrophobicContact CD-CB 4.1Å; K842-A895 PolarHBondContact NZ-O 3.06Å |
| 843 | T | 93.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 38 Ų | 38 | 39% | 0.387 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 178.1 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | E839 I840 S841 R847 L1001 | E839-T843 PolarHBondContact O-N 2.61Å; E839-T843 PolarHBondContact O-OG1 3.25Å; I840-T843 WeakPolarHBondContact O-CB 3.48Å; I840-T843 PolarHBondContact O-N 3.32Å; S841-T843 VanDerWaalsContact C-N 3.34Å; S841-T843 PolarHBondContact O-N 3.09Å; T843-R847 PolarHBondContact O-N 3.28Å; T843-L1001 HydrophobicContact CG2-CD1 3.8Å; T843-L1001 HydrophobicContact CG2-CD2 3.85Å |
| 844 | F | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -44.9 | 177.8 | 177.9 | -95.9 | 0 | 0 | 0 | 112.4 | I840 S841 K842 K846 R847 L848 F931 L1000 L1001 F1005 H1006 V1009 | I840-F844 PolarHBondContact O-N 2.91Å; S841-F844 PolarHBondContact O-N 3.46Å; K842-F844 VanDerWaalsContact C-N 3.31Å; K842-F844 PolarHBondContact O-N 2.04Å; F844-K846 VanDerWaalsContact C-N 3.31Å; F844-K846 PolarHBondContact O-N 3.26Å; F844-R847 WeakPolarHBondContact O-CB 3.38Å; F844-R847 PolarHBondContact O-N 3.16Å; F844-R847 VanDerWaalsContact O-N 3.16Å; F844-L848 HydrophobicContact CD1-CD1 4.06Å; F844-L848 HydrophobicContact CD1-CG 4.24Å; F844-L848 HydrophobicContact CE1-CD1 3.55Å; F844-L848 HydrophobicContact CE1-CD2 4.36Å; F844-L848 HydrophobicContact CE1-CG 3.92Å; F844-L848 HydrophobicContact CZ-CD1 4.22Å; F844-L848 HydrophobicContact CZ-CD2 4.27Å; F844-L848 HydrophobicContact CZ-CG 4.3Å; F844-L848 PolarHBondContact O-N 3.36Å; F844-F931 HydrophobicContact CD1-CE1 4.24Å; F844-F931 AromaticContact CD1-CZ 3.61Å; F844-F931 HydrophobicContact CD1-CZ 3.61Å; F844-F931 HydrophobicContact CE1-CE1 4.44Å; F844-F931 AromaticContact CE1-CZ 3.72Å; F844-F931 HydrophobicContact CE1-CZ 3.72Å; F844-L1000 HydrophobicContact CB-CB 4.26Å; F844-L1000 HydrophobicContact CB-CD1 4.5Å; F844-L1000 HydrophobicContact CD2-CB 3.73Å; F844-L1000 HydrophobicContact CD2-CD2 4.44Å; F844-L1000 WeakPolarHBondContact CD2-O 3.25Å; F844-L1000 HydrophobicContact CE1-CD2 4.45Å; F844-L1000 HydrophobicContact CE2-CB 4.21Å; F844-L1000 HydrophobicContact CE2-CD2 4.31Å; F844-L1000 VanDerWaalsContact CE2-O 3.25Å; F844-L1000 WeakPolarHBondContact CE2-O 3.29Å; F844-L1000 HydrophobicContact CG-CB 4.06Å; F844-L1000 HydrophobicContact CZ-CD2 4.31Å; F844-L1001 HydrophobicContact CB-CD2 3.82Å; F844-L1001 HydrophobicContact CD2-CD2 4.39Å; F844-F1005 AromaticContact CE2-CD1 3.6Å; F844-F1005 HydrophobicContact CE2-CD1 3.6Å; F844-F1005 HydrophobicContact CE2-CE1 4.01Å; F844-F1005 AromaticContact CZ-CD1 3.81Å; F844-F1005 HydrophobicContact CZ-CD1 3.81Å; F844-F1005 AromaticContact CZ-CE1 3.76Å; F844-F1005 HydrophobicContact CZ-CE1 3.76Å; F844-H1006 HydrophobicContact CD2-CB 3.82Å; F844-H1006 VanDerWaalsContact CE2-CA 3.48Å; F844-H1006 HydrophobicContact CE2-CB 3.38Å; F844-H1006 HydrophobicContact CZ-CB 4.16Å; F844-V1009 HydrophobicContact CZ-CB 4.4Å; F844-V1009 HydrophobicContact CZ-CG2 4.11Å |
| 845 | V | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | V825 M827 S841 K842 L848 A849 V867 I892 F931 | V825-V845 HydrophobicContact CB-CG1 4.14Å; V825-V845 HydrophobicContact CG1-CB 4.46Å; V825-V845 HydrophobicContact CG1-CG1 3.86Å; V825-V845 HydrophobicContact CG1-CG2 3.7Å; V825-V845 HydrophobicContact CG2-CG1 4.49Å; M827-V845 HydrophobicContact CG-CG2 3.76Å; M827-V845 HydrophobicContact SD-CB 4.01Å; M827-V845 HydrophobicContact SD-CG1 4.34Å; M827-V845 HydrophobicContact SD-CG2 3.82Å; S841-V845 WeakPolarHBondContact O-CB 3.49Å; S841-V845 WeakPolarHBondContact O-CG2 3.1Å; S841-V845 PolarHBondContact O-N 3.33Å; K842-V845 PolarHBondContact O-N 2.9Å; V845-L848 PolarHBondContact O-N 3.29Å; V845-A849 VanDerWaalsContact O-CB 3.3Å; V845-A849 WeakPolarHBondContact O-CB 3.13Å; V845-A849 PolarHBondContact O-N 3.46Å; V845-V867 HydrophobicContact CG1-CG1 4.04Å; V845-V867 HydrophobicContact CG1-CG2 3.77Å; V845-I892 HydrophobicContact CG1-CD1 4.27Å; V845-F931 HydrophobicContact CG2-CE2 3.83Å; V845-F931 HydrophobicContact CG2-CZ 3.96Å |
| 846 | K | 95.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 170.2 | -177.1 | 174.8 | 175.8 | -180 | 0 | 111.6 | K842 F844 L848 A849 E850 Y885 A889 I892 E893 | K842-K846 WeakPolarHBondContact O-CB 3.42Å; K842-K846 PolarHBondContact O-N 2.67Å; F844-K846 VanDerWaalsContact C-N 3.31Å; F844-K846 PolarHBondContact O-N 3.26Å; K846-L848 PolarHBondContact O-N 3.02Å; K846-A849 PolarHBondContact O-N 3.19Å; K846-E850 PolarHBondContact O-N 3.14Å; K846-Y885 VanDerWaalsContact CE-OH 3.32Å; K846-Y885 WeakPolarHBondContact CE-OH 3.49Å; K846-Y885 HydrophobicContact CG-CE2 4.24Å; K846-Y885 VanDerWaalsContact CG-OH 3.27Å; K846-Y885 WeakPolarHBondContact CG-OH 3.39Å; K846-A889 HydrophobicContact CD-CB 4.46Å; K846-A889 HydrophobicContact CG-CB 4.48Å; K846-I892 HydrophobicContact CB-CD1 4.36Å; K846-I892 HydrophobicContact CB-CG2 4.34Å; K846-E893 HydrophobicContact CD-CG 4.45Å; K846-E893 IonicContact NZ-OE1 3Å; K846-E893 PolarHBondContact NZ-OE1 2.81Å; K846-E893 IonicContact NZ-OE2 3.2Å |
| 847 | R | 93.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.1 | -38.1 | 174.8 | -69.5 | -179.4 | 179.2 | 179.5 | 0.8 | 113.3 | T843 F844 R851 L1001 | T843-R847 PolarHBondContact O-N 3.28Å; F844-R847 WeakPolarHBondContact O-CB 3.38Å; F844-R847 PolarHBondContact O-N 3.16Å; F844-R847 VanDerWaalsContact O-N 3.16Å; R847-R851 WeakPolarHBondContact O-CG 3.49Å; R847-R851 PolarHBondContact O-N 2.97Å; R847-L1001 PolarHBondContact NH1-O 3.32Å |
| 848 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -48.1 | 174.3 | -68.9 | -173.7 | 0 | 0 | 0 | 111.6 | F844 V845 K846 E850 R851 F852 H1006 V1009 | F844-L848 HydrophobicContact CD1-CD1 4.06Å; F844-L848 HydrophobicContact CD1-CG 4.24Å; F844-L848 HydrophobicContact CE1-CD1 3.55Å; F844-L848 HydrophobicContact CE1-CD2 4.36Å; F844-L848 HydrophobicContact CE1-CG 3.92Å; F844-L848 HydrophobicContact CZ-CD1 4.22Å; F844-L848 HydrophobicContact CZ-CD2 4.27Å; F844-L848 HydrophobicContact CZ-CG 4.3Å; F844-L848 PolarHBondContact O-N 3.36Å; V845-L848 PolarHBondContact O-N 3.29Å; K846-L848 PolarHBondContact O-N 3.02Å; L848-E850 VanDerWaalsContact C-N 3.33Å; L848-E850 PolarHBondContact O-N 3.48Å; L848-R851 PolarHBondContact O-N 3.49Å; L848-F852 HydrophobicContact CB-CD2 4.3Å; L848-F852 HydrophobicContact CB-CE2 3.89Å; L848-F852 WeakPolarHBondContact O-CD2 3.37Å; L848-F852 WeakPolarHBondContact O-CG 3.37Å; L848-F852 PolarHBondContact O-N 3.34Å; L848-H1006 HydrophobicContact CD2-CB 4.27Å; L848-H1006 WeakPolarHBondContact CD2-O 3.42Å; L848-V1009 HydrophobicContact CD1-CG1 4.01Å; L848-V1009 HydrophobicContact CD2-CB 4.13Å; L848-V1009 HydrophobicContact CD2-CG1 4.03Å |
| 849 | A | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V845 K846 L853 V865 Y885 L888 I892 | V845-A849 VanDerWaalsContact O-CB 3.3Å; V845-A849 WeakPolarHBondContact O-CB 3.13Å; V845-A849 PolarHBondContact O-N 3.46Å; K846-A849 PolarHBondContact O-N 3.19Å; A849-L853 WeakPolarHBondContact O-CB 3.37Å; A849-L853 VanDerWaalsContact O-CG 3.3Å; A849-L853 WeakPolarHBondContact O-CG 3.17Å; A849-L853 PolarHBondContact O-N 2.87Å; A849-L853 VanDerWaalsContact O-N 3.09Å; A849-V865 HydrophobicContact CB-CG1 4.32Å; A849-Y885 HydrophobicContact CB-CE2 4.46Å; A849-L888 HydrophobicContact CB-CD2 3.7Å; A849-L888 HydrophobicContact CB-CG 4.35Å; A849-I892 HydrophobicContact CB-CD1 3.99Å |
| 850 | E | 94.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 49.7 Ų | 49.7 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.4 | -57.3 | 172.8 | -165.5 | 169.9 | 149.8 | 0 | 0 | 110.5 | K846 L848 F852 L853 T854 Y885 | K846-E850 PolarHBondContact O-N 3.14Å; L848-E850 VanDerWaalsContact C-N 3.33Å; L848-E850 PolarHBondContact O-N 3.48Å; E850-F852 PolarHBondContact O-N 3.12Å; E850-L853 PolarHBondContact O-N 3.29Å; E850-L853 VanDerWaalsContact O-N 3.12Å; E850-T854 HydrophobicContact CG-CG2 4.39Å; E850-T854 WeakPolarHBondContact O-CG2 2.99Å; E850-T854 PolarHBondContact O-N 2.97Å; E850-T854 PolarHBondContact O-OG1 3.28Å; E850-Y885 HydrophobicContact CB-CD2 4.12Å; E850-Y885 HydrophobicContact CB-CE1 4Å; E850-Y885 HydrophobicContact CB-CE2 3.59Å; E850-Y885 HydrophobicContact CG-CD1 4.06Å; E850-Y885 HydrophobicContact CG-CE1 3.6Å; E850-Y885 HydrophobicContact CG-CE2 4.15Å; E850-Y885 HydrophobicContact CG-CG 4.49Å; E850-Y885 WeakPolarHBondContact OE2-CE1 3.47Å; E850-Y885 VanDerWaalsContact OE2-CZ 3.23Å; E850-Y885 PolarHBondContact OE2-OH 3.03Å |
| 851 | R | 91.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | -177.7 | -72.4 | 177.3 | 60.9 | 88.4 | 5.7 | 113 | C813 I815 R847 L848 L853 A855 S1010 | C813-R851 PolarHBondContact O-NH2 3.17Å; I815-R851 HydrophobicContact CD1-CB 4.19Å; R847-R851 WeakPolarHBondContact O-CG 3.49Å; R847-R851 PolarHBondContact O-N 2.97Å; L848-R851 PolarHBondContact O-N 3.49Å; R851-L853 VanDerWaalsContact C-N 3.34Å; R851-L853 PolarHBondContact O-N 2.91Å; R851-A855 WeakPolarHBondContact O-CB 3.28Å; R851-A855 PolarHBondContact O-N 3.39Å; R851-S1010 PolarHBondContact NE-OG 2.85Å; R851-S1010 PolarHBondContact NH2-OG 3.3Å |
| 852 | F | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 177.7 | -67 | -43.2 | 0 | 0 | 0 | 112.8 | I815 F817 I823 L848 E850 A855 V865 S1010 V1013 | I815-F852 HydrophobicContact CD1-CD1 3.99Å; I815-F852 HydrophobicContact CD1-CE1 4.48Å; F817-F852 HydrophobicContact CE2-CD1 4.27Å; F817-F852 AromaticContact CZ-CD1 3.86Å; F817-F852 HydrophobicContact CZ-CD1 3.86Å; F817-F852 HydrophobicContact CZ-CE1 4.48Å; I823-F852 HydrophobicContact CD1-CB 4.16Å; I823-F852 HydrophobicContact CD1-CD1 3.73Å; I823-F852 HydrophobicContact CD1-CD2 3.89Å; I823-F852 HydrophobicContact CD1-CE1 4.01Å; I823-F852 HydrophobicContact CD1-CE2 4.17Å; I823-F852 HydrophobicContact CD1-CG 3.67Å; I823-F852 HydrophobicContact CD1-CZ 4.23Å; I823-F852 HydrophobicContact CG2-CD2 4.46Å; I823-F852 HydrophobicContact CG2-CE2 4.18Å; L848-F852 HydrophobicContact CB-CD2 4.3Å; L848-F852 HydrophobicContact CB-CE2 3.89Å; L848-F852 WeakPolarHBondContact O-CD2 3.37Å; L848-F852 WeakPolarHBondContact O-CG 3.37Å; L848-F852 PolarHBondContact O-N 3.34Å; E850-F852 PolarHBondContact O-N 3.12Å; F852-A855 WeakPolarHBondContact O-CB 3.47Å; F852-V865 HydrophobicContact CB-CG2 3.68Å; F852-V865 HydrophobicContact CD2-CG2 4.23Å; F852-V865 HydrophobicContact CG-CG2 4.39Å; F852-S1010 WeakPolarHBondContact CE1-O 3.31Å; F852-V1013 HydrophobicContact CE1-CB 3.84Å; F852-V1013 HydrophobicContact CE1-CG1 3.71Å; F852-V1013 HydrophobicContact CE2-CG1 4.45Å; F852-V1013 HydrophobicContact CZ-CB 3.74Å; F852-V1013 HydrophobicContact CZ-CG1 3.53Å; F852-V1013 HydrophobicContact CZ-CG2 4.32Å |
| 853 | L | 93.9 | Very high | 91.1 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.9 | -29.1 | -178.2 | -67 | 179.8 | 0 | 0 | 0 | 112.9 | A849 E850 R851 K857 V865 L888 | A849-L853 WeakPolarHBondContact O-CB 3.37Å; A849-L853 VanDerWaalsContact O-CG 3.3Å; A849-L853 WeakPolarHBondContact O-CG 3.17Å; A849-L853 PolarHBondContact O-N 2.87Å; A849-L853 VanDerWaalsContact O-N 3.09Å; E850-L853 PolarHBondContact O-N 3.29Å; E850-L853 VanDerWaalsContact O-N 3.12Å; R851-L853 VanDerWaalsContact C-N 3.34Å; R851-L853 PolarHBondContact O-N 2.91Å; L853-K857 PolarHBondContact O-NZ 3.39Å; L853-V865 HydrophobicContact CD1-CB 4.48Å; L853-V865 HydrophobicContact CD2-CB 4.24Å; L853-V865 HydrophobicContact CD2-CG2 3.73Å; L853-V865 HydrophobicContact CG-CB 4.34Å; L853-V865 HydrophobicContact CG-CG2 3.86Å; L853-L888 HydrophobicContact CD1-CD2 3.89Å |
| 854 | T | 89.3 | Confident | 91.2 | Very high | 101 Ų | 101 | 52 Ų | 52 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -89.9 | -1.8 | 173.9 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | E850 | E850-T854 HydrophobicContact CG-CG2 4.39Å; E850-T854 WeakPolarHBondContact O-CG2 2.99Å; E850-T854 PolarHBondContact O-N 2.97Å; E850-T854 PolarHBondContact O-OG1 3.28Å |
| 855 | A | 88.6 | Confident | 91.2 | Very high | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -55.2 | 152.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I815 F817 R851 F852 K857 | I815-A855 HydrophobicContact CD1-CB 4.17Å; I815-A855 HydrophobicContact CG1-CB 3.83Å; F817-A855 HydrophobicContact CD2-CB 3.69Å; F817-A855 HydrophobicContact CE2-CB 3.72Å; R851-A855 WeakPolarHBondContact O-CB 3.28Å; R851-A855 PolarHBondContact O-N 3.39Å; F852-A855 WeakPolarHBondContact O-CB 3.47Å; A855-K857 WeakPolarHBondContact O-CE 3.37Å |
| 856 | E | 84.7 | Confident | 91.2 | Very high | 130 Ų | 130 | 52 Ų | 52 | 61% | 0.607 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 141.7 | 168.2 | -69.6 | -178.6 | 178.3 | 0 | 0 | 110.2 | I815 K816 F817 | I815-E856 PolarHBondContact O-N 2.89Å; I815-E856 VanDerWaalsContact O-N 3.13Å; K816-E856 CarbonylContact C-O 3.58Å; K816-E856 VanDerWaalsContact CA-O 3.24Å; K816-E856 WeakPolarHBondContact CA-O 3.29Å; K816-E856 HydrophobicContact CB-CB 4.06Å; F817-E856 PolarHBondContact N-O 2.9Å |
| 857 | K | 87.6 | Confident | 91.3 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.4 | -174.4 | -66.4 | 159.6 | -158.3 | 163 | 0 | 108.4 | L853 A855 V861 V863 | L853-K857 PolarHBondContact O-NZ 3.39Å; A855-K857 WeakPolarHBondContact O-CE 3.37Å; K857-V861 HydrophobicContact CB-CB 4.23Å; K857-V861 HydrophobicContact CB-CG1 4.29Å; K857-V861 HydrophobicContact CG-CG1 4.41Å; K857-V863 HydrophobicContact CD-CG2 4.22Å; K857-V863 HydrophobicContact CG-CG2 4.13Å |
| 858 | E | 85.7 | Confident | 91.4 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | trans | -65.6 | 156.7 | 171 | -69.4 | 176 | -158.3 | 0 | 0 | 110.7 | F817 S818 G860 V861 | F817-E858 PolarHBondContact O-N 3.2Å; S818-E858 VanDerWaalsContact CB-OE1 3.32Å; S818-E858 WeakPolarHBondContact CB-OE1 3.4Å; E858-G860 PolarHBondContact O-N 2.98Å; E858-G860 VanDerWaalsContact O-N 3.11Å; E858-V861 HydrophobicContact CB-CG2 3.93Å; E858-V861 VanDerWaalsContact O-CB 3.29Å; E858-V861 WeakPolarHBondContact O-CB 3.41Å; E858-V861 PolarHBondContact O-N 2.99Å | ||
| 859 | T | 83.8 | Confident | 91.4 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 94% | 0.939 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 117.9 | -176 | 43.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 860 | G | 81.5 | Confident | 91.3 | Very high | 74 Ų | 74 | 44.8 Ų | 44.8 | 76% | 0.763 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -4.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | E858 | E858-G860 PolarHBondContact O-N 2.98Å; E858-G860 VanDerWaalsContact O-N 3.11Å |
| 861 | V | 88.1 | Confident | 91.1 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | trans | -78.7 | 126.5 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | F817 K857 E858 V863 | F817-V861 HydrophobicContact CB-CG1 3.91Å; K857-V861 HydrophobicContact CB-CB 4.23Å; K857-V861 HydrophobicContact CB-CG1 4.29Å; K857-V861 HydrophobicContact CG-CG1 4.41Å; E858-V861 HydrophobicContact CB-CG2 3.93Å; E858-V861 VanDerWaalsContact O-CB 3.29Å; E858-V861 WeakPolarHBondContact O-CB 3.41Å; E858-V861 PolarHBondContact O-N 2.99Å; V861-V863 HydrophobicContact CG1-CG2 4.4Å | ||
| 862 | V | 89.9 | Confident | 90.5 | Very high | 70 Ų | 70 | 43 Ų | 43 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | trans | -113.3 | 122.1 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | S820 T821 K864 | S820-V862 CarbonylContact C-O 2.92Å; S820-V862 WeakPolarHBondContact CA-O 3.42Å; S820-V862 WeakPolarHBondContact CB-O 3.32Å; S820-V862 PolarHBondContact OG-N 2.95Å; T821-V862 PolarHBondContact N-O 3.22Å; V862-K864 HydrophobicContact CG1-CG 4.1Å | ||
| 863 | V | 93.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.3 | 171.9 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | F817 T821 I823 K857 V861 | F817-V863 HydrophobicContact CB-CG2 3.77Å; F817-V863 HydrophobicContact CD1-CG2 4.05Å; F817-V863 HydrophobicContact CD2-CG2 3.59Å; F817-V863 HydrophobicContact CE2-CG1 4.27Å; F817-V863 HydrophobicContact CE2-CG2 4.13Å; F817-V863 HydrophobicContact CG-CG2 3.53Å; F817-V863 HydrophobicContact CZ-CG1 4.31Å; T821-V863 WeakPolarHBondContact O-CA 3.22Å; I823-V863 HydrophobicContact CD1-CG1 4.39Å; K857-V863 HydrophobicContact CD-CG2 4.22Å; K857-V863 HydrophobicContact CG-CG2 4.13Å; V861-V863 HydrophobicContact CG1-CG2 4.4Å |
| 864 | K | 94.9 | Very high | 88.4 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.1 | 173.5 | -53.9 | 179.1 | -170.3 | 166 | 0 | 109.4 | T821 N822 I823 V862 L881 T882 D920 | T821-K864 PolarHBondContact O-N 2.99Å; N822-K864 WeakPolarHBondContact CA-O 3.31Å; N822-K864 WeakPolarHBondContact OD1-CD 3.45Å; I823-K864 PolarHBondContact N-O 3.34Å; V862-K864 HydrophobicContact CG1-CG 4.1Å; K864-L881 HydrophobicContact CB-CB 3.96Å; K864-L881 HydrophobicContact CB-CD2 4.18Å; K864-L881 HydrophobicContact CD-CB 4.29Å; K864-T882 CarbonylContact C-O 3.48Å; K864-T882 WeakPolarHBondContact CA-O 3.44Å; K864-D920 IonicContact NZ-OD2 3.85Å |
| 865 | V | 96.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.4 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | I823 A849 F852 L853 T882 L888 | I823-V865 HydrophobicContact CB-CG2 4.43Å; I823-V865 CarbonylContact O-C 3.57Å; I823-V865 WeakPolarHBondContact O-CA 3.5Å; A849-V865 HydrophobicContact CB-CG1 4.32Å; F852-V865 HydrophobicContact CB-CG2 3.68Å; F852-V865 HydrophobicContact CD2-CG2 4.23Å; F852-V865 HydrophobicContact CG-CG2 4.39Å; L853-V865 HydrophobicContact CD1-CB 4.48Å; L853-V865 HydrophobicContact CD2-CB 4.24Å; L853-V865 HydrophobicContact CD2-CG2 3.73Å; L853-V865 HydrophobicContact CG-CB 4.34Å; L853-V865 HydrophobicContact CG-CG2 3.86Å; V865-T882 PolarHBondContact N-O 3.45Å; V865-T882 PolarHBondContact O-N 3.36Å; V865-L888 HydrophobicContact CB-CD2 3.82Å; V865-L888 HydrophobicContact CG1-CD2 3.77Å |
| 866 | G | 96.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | I823 L824 V825 Q879 | I823-G866 PolarHBondContact O-N 2.95Å; L824-G866 WeakPolarHBondContact CA-O 3.08Å; V825-G866 PolarHBondContact N-O 3.41Å; G866-Q879 VanDerWaalsContact CA-O 3.32Å; G866-Q879 WeakPolarHBondContact CA-O 3.42Å |
| 867 | V | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.7 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | V825 M827 V845 E878 Q879 L888 I892 | V825-V867 HydrophobicContact CB-CG2 4.32Å; V825-V867 WeakPolarHBondContact O-CA 3Å; M827-V867 HydrophobicContact CE-CG1 3.8Å; V845-V867 HydrophobicContact CG1-CG1 4.04Å; V845-V867 HydrophobicContact CG1-CG2 3.77Å; V867-E878 PolarHBondContact O-N 2.7Å; V867-Q879 PolarHBondContact N-O 3.42Å; V867-Q879 PolarHBondContact O-N 2.85Å; V867-L888 HydrophobicContact CB-CD1 4.25Å; V867-L888 HydrophobicContact CG2-CD1 3.91Å; V867-I892 HydrophobicContact CB-CG1 4.26Å; V867-I892 HydrophobicContact CG1-CG1 4.21Å; V867-I892 HydrophobicContact CG2-CD1 4.04Å; V867-I892 HydrophobicContact CG2-CG1 4.05Å |
| 868 | G | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 178 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V825 L826 M827 R876 | V825-G868 PolarHBondContact O-N 3.44Å; L826-G868 WeakPolarHBondContact CA-O 3.48Å; M827-G868 PolarHBondContact N-O 3.12Å; G868-R876 CarbonylContact C-O 3.5Å; G868-R876 WeakPolarHBondContact CA-O 3.03Å |
| 869 | Q | 95.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.7 | 175.7 | 51.8 | 164 | -17.6 | 0 | 0 | 111 | M827 S829 F838 P875 R876 E878 Q896 Q898 | M827-Q869 HydrophobicContact CB-CB 4.3Å; M827-Q869 CarbonylContact O-C 3.6Å; M827-Q869 WeakPolarHBondContact O-CA 3.44Å; S829-Q869 PolarHBondContact OG-OE1 2.95Å; F838-Q869 HydrophobicContact CE2-CB 4.44Å; Q869-P875 WeakPolarHBondContact O-CA 3.49Å; Q869-R876 HydrophobicContact CG-CB 4.44Å; Q869-R876 PolarHBondContact N-O 3.43Å; Q869-R876 PolarHBondContact O-N 3.43Å; Q869-E878 HydrophobicContact CG-CG 4.29Å; Q869-E878 WeakPolarHBondContact CG-OE1 3.39Å; Q869-E878 PolarHBondContact NE2-OE1 2.87Å; Q869-Q896 PolarHBondContact NE2-O 3.1Å; Q869-Q896 PolarHBondContact OE1-O 3.22Å; Q869-Q896 VanDerWaalsContact OE1-O 3.14Å; Q869-Q898 VanDerWaalsContact CD-NE2 3.33Å |
| 870 | Y | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 159.4 | -180 | 78.7 | -81.9 | 0 | 0 | 0 | 112.6 | L826 M827 D828 S829 T902 D903 V904 A907 L930 F931 | L826-Y870 HydrophobicContact CB-CD1 4.34Å; M827-Y870 VanDerWaalsContact O-CD1 3.26Å; M827-Y870 WeakPolarHBondContact O-CD1 3.47Å; M827-Y870 PolarHBondContact O-N 3.01Å; D828-Y870 HydrophobicContact CB-CE1 3.83Å; S829-Y870 PolarHBondContact N-O 3.4Å; S829-Y870 PolarHBondContact OG-O 2.95Å; Y870-T902 HydrophobicContact CE2-CG2 3.99Å; Y870-D903 WeakPolarHBondContact CD2-O 3.17Å; Y870-V904 HydrophobicContact CE2-CG2 4.13Å; Y870-A907 HydrophobicContact CD1-CB 3.86Å; Y870-A907 HydrophobicContact CD2-CB 3.61Å; Y870-A907 HydrophobicContact CE1-CB 4.24Å; Y870-A907 HydrophobicContact CE2-CB 3.99Å; Y870-A907 HydrophobicContact CG-CB 3.53Å; Y870-L930 HydrophobicContact CD1-CD1 4.31Å; Y870-L930 HydrophobicContact CE1-CD1 3.68Å; Y870-F931 WeakPolarHBondContact CE1-O 3.26Å; Y870-F931 PolarHBondContact OH-O 3.43Å |
| 871 | S | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -155.7 | -149.4 | 172.1 | 68.1 | 0 | 0 | 0 | 0 | 107.5 | R873 Q898 G901 D903 | S871-R873 PolarHBondContact OG-N 3.21Å; S871-Q898 PolarHBondContact OG-OE1 3.03Å; S871-G901 CarbonylContact C-O 3.5Å; S871-G901 WeakPolarHBondContact CA-O 3.48Å; S871-G901 WeakPolarHBondContact CB-O 3.22Å; S871-D903 PolarHBondContact O-N 2.78Å |
| 872 | Q | 79.4 | Confident | 91 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -80.8 | -16.4 | 175.3 | -180 | -179.4 | -7.2 | 0 | 0 | 112.9 | E900 G901 Q937 | Q872-E900 HydrophobicContact CB-CB 4.27Å; Q872-G901 PolarHBondContact N-O 3.05Å; Q872-Q937 VanDerWaalsContact NE2-OE1 3.12Å |
| 873 | R | 69.5 | Low | 91.1 | Very high | 161 Ų | 161 | 44.3 Ų | 44.3 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -88.9 | 167.8 | 170.1 | -63.1 | -170.8 | -169.4 | -155.6 | 7.8 | 110 | S871 P875 E900 Q906 | S871-R873 PolarHBondContact OG-N 3.21Å; R873-P875 WeakPolarHBondContact O-CD 3.42Å; R873-P875 VanDerWaalsContact O-N 3.15Å; R873-E900 HydrophobicContact CG-CG 4.17Å; R873-E900 IonicContact CZ-OE1 3.21Å; R873-E900 IonicContact NE-OE1 2.62Å; R873-E900 PolarHBondContact NE-OE1 2.9Å; R873-E900 IonicContact NH2-OE1 3.56Å; R873-E900 PolarHBondContact NH2-OE1 3.33Å; R873-Q906 PolarHBondContact O-OE1 2.84Å |
| 874 | T | 76.3 | Confident | 91.1 | Very high | 111 Ų | 111 | 47.3 Ų | 47.3 | 68% | 0.681 | 23% | 0.231 | S | C | * | . | trans | -44.4 | 119.8 | 174.4 | 35 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 875 | P | 87.1 | Confident | 91 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -56.1 | 148.2 | 177.1 | -26.4 | 34.3 | 0 | 0 | 0 | 112 | Q869 R873 Q906 F910 | Q869-P875 WeakPolarHBondContact O-CA 3.49Å; R873-P875 WeakPolarHBondContact O-CD 3.42Å; R873-P875 VanDerWaalsContact O-N 3.15Å; P875-Q906 HydrophobicContact CG-CB 4.5Å; P875-Q906 HydrophobicContact CG-CG 4.06Å; P875-F910 HydrophobicContact CB-CB 3.92Å; P875-F910 HydrophobicContact CB-CD1 3.65Å; P875-F910 HydrophobicContact CB-CD2 3.93Å; P875-F910 HydrophobicContact CB-CE1 4.03Å; P875-F910 HydrophobicContact CB-CE2 4.29Å; P875-F910 HydrophobicContact CB-CG 3.58Å; P875-F910 HydrophobicContact CB-CZ 4.32Å; P875-F910 HydrophobicContact CG-CB 3.89Å; P875-F910 HydrophobicContact CG-CG 4.11Å; P875-F910 WeakPolarHBondContact O-CE2 3.4Å | ||
| 876 | R | 90.8 | Very high | 90.9 | Very high | 121 Ų | 121 | 52 Ų | 52 | 46% | 0.457 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.2 | -173.2 | -178.8 | 173.7 | 150.4 | 170.8 | -10.8 | 110.2 | G868 Q869 E878 | G868-R876 CarbonylContact C-O 3.5Å; G868-R876 WeakPolarHBondContact CA-O 3.03Å; Q869-R876 HydrophobicContact CG-CB 4.44Å; Q869-R876 PolarHBondContact N-O 3.43Å; Q869-R876 PolarHBondContact O-N 3.43Å; R876-E878 WeakPolarHBondContact CD-OE1 3.35Å; R876-E878 VanDerWaalsContact CG-OE1 3.29Å; R876-E878 WeakPolarHBondContact CG-OE1 3.39Å; R876-E878 IonicContact CZ-OE1 3.19Å; R876-E878 IonicContact CZ-OE2 2.85Å; R876-E878 IonicContact NE-OE1 2.95Å; R876-E878 PolarHBondContact NE-OE1 2.63Å; R876-E878 IonicContact NE-OE2 2.69Å; R876-E878 PolarHBondContact NE-OE2 3.19Å; R876-E878 IonicContact NH2-OE1 2.9Å; R876-E878 IonicContact NH2-OE2 2.72Å; R876-E878 PolarHBondContact NH2-OE2 3.46Å |
| 877 | L | 93.6 | Very high | 90.7 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.2 | 169.5 | -164.6 | 64.6 | 0 | 0 | 0 | 107.6 | L824 F910 | L824-L877 HydrophobicContact CD1-CD1 3.96Å; L877-F910 HydrophobicContact CB-CZ 3.97Å |
| 878 | E | 94.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -35.8 | 176.7 | -56.2 | -56.4 | 157.7 | 0 | 0 | 110.9 | V867 Q869 R876 A895 | V867-E878 PolarHBondContact O-N 2.7Å; Q869-E878 HydrophobicContact CG-CG 4.29Å; Q869-E878 WeakPolarHBondContact CG-OE1 3.39Å; Q869-E878 PolarHBondContact NE2-OE1 2.87Å; R876-E878 WeakPolarHBondContact CD-OE1 3.35Å; R876-E878 VanDerWaalsContact CG-OE1 3.29Å; R876-E878 WeakPolarHBondContact CG-OE1 3.39Å; R876-E878 IonicContact CZ-OE1 3.19Å; R876-E878 IonicContact CZ-OE2 2.85Å; R876-E878 IonicContact NE-OE1 2.95Å; R876-E878 PolarHBondContact NE-OE1 2.63Å; R876-E878 IonicContact NE-OE2 2.69Å; R876-E878 PolarHBondContact NE-OE2 3.19Å; R876-E878 IonicContact NH2-OE1 2.9Å; R876-E878 IonicContact NH2-OE2 2.72Å; R876-E878 PolarHBondContact NH2-OE2 3.46Å; E878-A895 HydrophobicContact CG-CB 3.81Å |
| 879 | Q | 95.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 15% | 0.145 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 127.6 | 172.8 | 179.6 | 51.5 | 60.1 | 0 | 0 | 110.6 | G866 V867 T882 L888 K891 | G866-Q879 VanDerWaalsContact CA-O 3.32Å; G866-Q879 WeakPolarHBondContact CA-O 3.42Å; V867-Q879 PolarHBondContact N-O 3.42Å; V867-Q879 PolarHBondContact O-N 2.85Å; Q879-T882 HydrophobicContact CG-CG2 3.95Å; Q879-L888 HydrophobicContact CB-CD1 3.57Å; Q879-L888 HydrophobicContact CG-CB 4.45Å; Q879-L888 HydrophobicContact CG-CD1 3.48Å; Q879-L888 VanDerWaalsContact CG-CD1 3.48Å; Q879-K891 HydrophobicContact CB-CB 3.9Å; Q879-K891 HydrophobicContact CB-CG 4.36Å |
| 880 | S | 93.1 | Very high | 90.4 | Very high | 68 Ų | 68 | 58 Ų | 58 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 161.3 | 172.3 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | T882 | S880-T882 PolarHBondContact O-N 3.41Å |
| 881 | L | 94 | Very high | 90.6 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.4 | 105.6 | -178.2 | -72.2 | 170.6 | 0 | 0 | 0 | 112.6 | N822 K864 L915 | N822-L881 HydrophobicContact CB-CD1 3.97Å; N822-L881 HydrophobicContact CB-CD2 3.99Å; K864-L881 HydrophobicContact CB-CB 3.96Å; K864-L881 HydrophobicContact CB-CD2 4.18Å; K864-L881 HydrophobicContact CD-CB 4.29Å; L881-L915 HydrophobicContact CD1-CD2 4.3Å; L881-L915 HydrophobicContact CD2-CD2 4.32Å |
| 882 | T | 93.6 | Very high | 90.9 | Very high | 19 Ų | 19 | 61.7 Ų | 61.7 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.3 | 179 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | K864 V865 Q879 S880 N884 L888 | K864-T882 CarbonylContact C-O 3.48Å; K864-T882 WeakPolarHBondContact CA-O 3.44Å; V865-T882 PolarHBondContact N-O 3.45Å; V865-T882 PolarHBondContact O-N 3.36Å; Q879-T882 HydrophobicContact CG-CG2 3.95Å; S880-T882 PolarHBondContact O-N 3.41Å; T882-N884 PolarHBondContact OG1-N 3.16Å; T882-N884 VanDerWaalsContact OG1-N 3.16Å; T882-L888 HydrophobicContact CG2-CB 3.83Å; T882-L888 HydrophobicContact CG2-CD1 4.5Å; T882-L888 HydrophobicContact CG2-CD2 4.29Å; T882-L888 HydrophobicContact CG2-CG 4.44Å |
| 883 | H | 92.6 | Very high | 91.6 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.597 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -99.1 | -0.8 | 172.9 | 63.5 | -87.5 | 0 | 0 | 0 | 112.4 | ||
| 884 | N | 93 | Very high | 92.8 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | trans | -110.7 | 112.6 | -174.5 | -175.7 | -20.7 | 0 | 0 | 0 | 110.8 | T882 T886 V887 L888 | T882-N884 PolarHBondContact OG1-N 3.16Å; T882-N884 VanDerWaalsContact OG1-N 3.16Å; N884-T886 PolarHBondContact O-N 2.83Å; N884-T886 WeakPolarHBondContact OD1-CB 3.28Å; N884-T886 PolarHBondContact OD1-N 2.93Å; N884-V887 HydrophobicContact CB-CG2 4.24Å; N884-V887 PolarHBondContact O-N 3.06Å; N884-L888 PolarHBondContact O-N 3.3Å | ||
| 885 | Y | 93.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 18% | 0.18 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -36 | -179 | 177.5 | -121.5 | 0 | 0 | 0 | 112.9 | K846 A849 E850 V887 L888 A889 | K846-Y885 VanDerWaalsContact CE-OH 3.32Å; K846-Y885 WeakPolarHBondContact CE-OH 3.49Å; K846-Y885 HydrophobicContact CG-CE2 4.24Å; K846-Y885 VanDerWaalsContact CG-OH 3.27Å; K846-Y885 WeakPolarHBondContact CG-OH 3.39Å; A849-Y885 HydrophobicContact CB-CE2 4.46Å; E850-Y885 HydrophobicContact CB-CD2 4.12Å; E850-Y885 HydrophobicContact CB-CE1 4Å; E850-Y885 HydrophobicContact CB-CE2 3.59Å; E850-Y885 HydrophobicContact CG-CD1 4.06Å; E850-Y885 HydrophobicContact CG-CE1 3.6Å; E850-Y885 HydrophobicContact CG-CE2 4.15Å; E850-Y885 HydrophobicContact CG-CG 4.49Å; E850-Y885 WeakPolarHBondContact OE2-CE1 3.47Å; E850-Y885 VanDerWaalsContact OE2-CZ 3.23Å; E850-Y885 PolarHBondContact OE2-OH 3.03Å; Y885-V887 PolarHBondContact O-N 2.88Å; Y885-L888 PolarHBondContact O-N 2.81Å; Y885-A889 HydrophobicContact CD2-CB 4.22Å; Y885-A889 HydrophobicContact CE1-CB 4.38Å; Y885-A889 HydrophobicContact CE2-CB 3.78Å; Y885-A889 WeakPolarHBondContact O-CB 3.33Å; Y885-A889 PolarHBondContact O-N 2.97Å |
| 886 | T | 92.9 | Very high | 93.9 | Very high | 113 Ų | 113 | 61.4 Ų | 61.4 | 69% | 0.693 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64 | -25.8 | -179.4 | -45 | 0 | 0 | 0 | 0 | 112.7 | N884 P890 | N884-T886 PolarHBondContact O-N 2.83Å; N884-T886 WeakPolarHBondContact OD1-CB 3.28Å; N884-T886 PolarHBondContact OD1-N 2.93Å; T886-P890 WeakPolarHBondContact O-CD 3.4Å; T886-P890 WeakPolarHBondContact O-CG 3.41Å |
| 887 | V | 93.2 | Very high | 94 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 42% | 0.418 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -83.4 | -35.2 | 172.9 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | N884 Y885 | N884-V887 HydrophobicContact CB-CG2 4.24Å; N884-V887 PolarHBondContact O-N 3.06Å; Y885-V887 PolarHBondContact O-N 2.88Å |
| 888 | L | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77.5 | -42.9 | -175.8 | -179.9 | 55.6 | 0 | 0 | 0 | 113.3 | A849 L853 V865 V867 Q879 T882 N884 Y885 K891 I892 | A849-L888 HydrophobicContact CB-CD2 3.7Å; A849-L888 HydrophobicContact CB-CG 4.35Å; L853-L888 HydrophobicContact CD1-CD2 3.89Å; V865-L888 HydrophobicContact CB-CD2 3.82Å; V865-L888 HydrophobicContact CG1-CD2 3.77Å; V867-L888 HydrophobicContact CB-CD1 4.25Å; V867-L888 HydrophobicContact CG2-CD1 3.91Å; Q879-L888 HydrophobicContact CB-CD1 3.57Å; Q879-L888 HydrophobicContact CG-CB 4.45Å; Q879-L888 HydrophobicContact CG-CD1 3.48Å; Q879-L888 VanDerWaalsContact CG-CD1 3.48Å; T882-L888 HydrophobicContact CG2-CB 3.83Å; T882-L888 HydrophobicContact CG2-CD1 4.5Å; T882-L888 HydrophobicContact CG2-CD2 4.29Å; T882-L888 HydrophobicContact CG2-CG 4.44Å; N884-L888 PolarHBondContact O-N 3.3Å; Y885-L888 PolarHBondContact O-N 2.81Å; L888-K891 PolarHBondContact O-N 3.38Å; L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.17Å; L888-I892 HydrophobicContact CG-CD1 3.93Å; L888-I892 HydrophobicContact CG-CG1 4.4Å; L888-I892 WeakPolarHBondContact O-CG1 3.36Å; L888-I892 PolarHBondContact O-N 3.2Å; L888-I892 VanDerWaalsContact O-N 3.07Å |
| 889 | A | 94.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | K846 Y885 K891 I892 E893 | K846-A889 HydrophobicContact CD-CB 4.46Å; K846-A889 HydrophobicContact CG-CB 4.48Å; Y885-A889 HydrophobicContact CD2-CB 4.22Å; Y885-A889 HydrophobicContact CE1-CB 4.38Å; Y885-A889 HydrophobicContact CE2-CB 3.78Å; Y885-A889 WeakPolarHBondContact O-CB 3.33Å; Y885-A889 PolarHBondContact O-N 2.97Å; A889-K891 VanDerWaalsContact C-N 3.32Å; A889-K891 PolarHBondContact O-N 3.21Å; A889-I892 PolarHBondContact O-N 2.92Å; A889-E893 PolarHBondContact O-N 3.34Å |
| 890 | P | 94.7 | Very high | 93 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 176.8 | -22.7 | 34.6 | 0 | 0 | 0 | 112.5 | T886 I892 E893 E894 | T886-P890 WeakPolarHBondContact O-CD 3.4Å; T886-P890 WeakPolarHBondContact O-CG 3.41Å; P890-I892 VanDerWaalsContact C-N 3.3Å; P890-I892 PolarHBondContact O-N 3.36Å; P890-E893 PolarHBondContact O-N 3.38Å; P890-E893 VanDerWaalsContact O-N 3.13Å; P890-E894 WeakPolarHBondContact O-CB 3.43Å; P890-E894 VanDerWaalsContact O-CG 3.28Å; P890-E894 WeakPolarHBondContact O-CG 3.35Å; P890-E894 PolarHBondContact O-N 2.82Å |
| 891 | K | 96.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.5 | -27.6 | 178.8 | -65 | -68.5 | 158.7 | -146.3 | 0 | 113.4 | Q879 L888 A889 E894 | Q879-K891 HydrophobicContact CB-CB 3.9Å; Q879-K891 HydrophobicContact CB-CG 4.36Å; L888-K891 PolarHBondContact O-N 3.38Å; A889-K891 VanDerWaalsContact C-N 3.32Å; A889-K891 PolarHBondContact O-N 3.21Å; K891-E894 IonicContact NZ-OE1 2.69Å; K891-E894 PolarHBondContact NZ-OE1 2.87Å; K891-E894 IonicContact NZ-OE2 3.43Å; K891-E894 PolarHBondContact NZ-OE2 2.89Å |
| 892 | I | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -48.5 | 168.7 | -62.7 | 167.2 | 0 | 0 | 0 | 109.5 | K842 V845 K846 A849 V867 L888 A889 P890 A895 | K842-I892 HydrophobicContact CB-CG2 4.09Å; K842-I892 WeakPolarHBondContact CD-O 3.4Å; K842-I892 HydrophobicContact CG-CG2 4.39Å; K842-I892 WeakPolarHBondContact O-CG2 3.26Å; V845-I892 HydrophobicContact CG1-CD1 4.27Å; K846-I892 HydrophobicContact CB-CD1 4.36Å; K846-I892 HydrophobicContact CB-CG2 4.34Å; A849-I892 HydrophobicContact CB-CD1 3.99Å; V867-I892 HydrophobicContact CB-CG1 4.26Å; V867-I892 HydrophobicContact CG1-CG1 4.21Å; V867-I892 HydrophobicContact CG2-CD1 4.04Å; V867-I892 HydrophobicContact CG2-CG1 4.05Å; L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.17Å; L888-I892 HydrophobicContact CG-CD1 3.93Å; L888-I892 HydrophobicContact CG-CG1 4.4Å; L888-I892 WeakPolarHBondContact O-CG1 3.36Å; L888-I892 PolarHBondContact O-N 3.2Å; L888-I892 VanDerWaalsContact O-N 3.07Å; A889-I892 PolarHBondContact O-N 2.92Å; P890-I892 VanDerWaalsContact C-N 3.3Å; P890-I892 PolarHBondContact O-N 3.36Å; I892-A895 VanDerWaalsContact O-CB 3.25Å; I892-A895 WeakPolarHBondContact O-CB 3.23Å; I892-A895 PolarHBondContact O-N 3Å |
| 893 | E | 93.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 57.3 Ų | 57.3 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | -177.3 | -72.1 | 175.4 | 163 | 0 | 0 | 113.3 | K842 K846 A889 P890 A895 | K842-E893 PolarHBondContact NZ-O 2.9Å; K846-E893 HydrophobicContact CD-CG 4.45Å; K846-E893 IonicContact NZ-OE1 3Å; K846-E893 PolarHBondContact NZ-OE1 2.81Å; K846-E893 IonicContact NZ-OE2 3.2Å; A889-E893 PolarHBondContact O-N 3.34Å; P890-E893 PolarHBondContact O-N 3.38Å; P890-E893 VanDerWaalsContact O-N 3.13Å; E893-A895 PolarHBondContact O-N 2.85Å |
| 894 | E | 95.1 | Very high | 92.1 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.9 | 176 | -72.6 | 172.1 | -158 | 0 | 0 | 114 | P890 K891 Q896 | P890-E894 WeakPolarHBondContact O-CB 3.43Å; P890-E894 VanDerWaalsContact O-CG 3.28Å; P890-E894 WeakPolarHBondContact O-CG 3.35Å; P890-E894 PolarHBondContact O-N 2.82Å; K891-E894 IonicContact NZ-OE1 2.69Å; K891-E894 PolarHBondContact NZ-OE1 2.87Å; K891-E894 IonicContact NZ-OE2 3.43Å; K891-E894 PolarHBondContact NZ-OE2 2.89Å; E894-Q896 PolarHBondContact O-N 3.34Å |
| 895 | A | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 125.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F838 K842 E878 I892 E893 | F838-A895 HydrophobicContact CZ-CB 4.44Å; K842-A895 HydrophobicContact CD-CB 4.1Å; K842-A895 PolarHBondContact NZ-O 3.06Å; E878-A895 HydrophobicContact CG-CB 3.81Å; I892-A895 VanDerWaalsContact O-CB 3.25Å; I892-A895 WeakPolarHBondContact O-CB 3.23Å; I892-A895 PolarHBondContact O-N 3Å; E893-A895 PolarHBondContact O-N 2.85Å |
| 896 | Q | 93.1 | Very high | 91.9 | Very high | 144 Ų | 144 | 49.7 Ų | 49.7 | 67% | 0.673 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 135.3 | -178.3 | -66.6 | -171.5 | -19 | 0 | 0 | 111.4 | Q869 E894 | Q869-Q896 PolarHBondContact NE2-O 3.1Å; Q869-Q896 PolarHBondContact OE1-O 3.22Å; Q869-Q896 VanDerWaalsContact OE1-O 3.14Å; E894-Q896 PolarHBondContact O-N 3.34Å |
| 897 | F | 93 | Very high | 91.9 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 139.2 | 176.4 | -180 | -122.3 | 0 | 0 | 0 | 111.4 | S829 S830 G834 Q835 F838 N899 | S829-F897 VanDerWaalsContact C-CE2 3.49Å; S829-F897 WeakPolarHBondContact O-CD2 3.31Å; S829-F897 WeakPolarHBondContact O-CE2 3.46Å; S830-F897 VanDerWaalsContact O-CE2 3.31Å; S830-F897 WeakPolarHBondContact O-CE2 3.36Å; S830-F897 WeakPolarHBondContact O-CZ 3.23Å; G834-F897 VanDerWaalsContact C-CZ 3.49Å; Q835-F897 HydrophobicContact CB-CD1 3.97Å; Q835-F897 HydrophobicContact CB-CE1 4.26Å; Q835-F897 VanDerWaalsContact OE1-CD1 3.31Å; F838-F897 HydrophobicContact CB-CD2 3.62Å; F838-F897 HydrophobicContact CB-CE2 4.13Å; F838-F897 HydrophobicContact CB-CG 4.36Å; F838-F897 HydrophobicContact CD1-CB 3.72Å; F838-F897 HydrophobicContact CD1-CD2 4.03Å; F838-F897 HydrophobicContact CD1-CG 4.31Å; F838-F897 HydrophobicContact CD2-CD2 4.19Å; F838-F897 HydrophobicContact CE1-CB 4.14Å; F838-F897 HydrophobicContact CG-CB 4.28Å; F838-F897 AromaticContact CG-CD2 3.68Å; F838-F897 HydrophobicContact CG-CD2 3.68Å; F838-F897 HydrophobicContact CG-CG 4.39Å; F897-N899 HydrophobicContact CD1-CB 3.83Å; F897-N899 HydrophobicContact CE1-CB 3.4Å; F897-N899 VanDerWaalsContact CE1-CB 3.4Å; F897-N899 VanDerWaalsContact CE1-OD1 3.29Å; F897-N899 WeakPolarHBondContact CE1-OD1 3.24Å; F897-N899 HydrophobicContact CZ-CB 4.01Å |
| 898 | Q | 88.8 | Confident | 91.9 | Very high | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -95.4 | -30.5 | -172.7 | -60.1 | -176.9 | 3.2 | 0 | 0 | 113.2 | S829 Q869 S871 E900 | S829-Q898 PolarHBondContact O-N 3.47Å; S829-Q898 WeakPolarHBondContact OG-CG 3.24Å; S829-Q898 PolarHBondContact OG-OE1 3.2Å; Q869-Q898 VanDerWaalsContact CD-NE2 3.33Å; S871-Q898 PolarHBondContact OG-OE1 3.03Å; Q898-E900 VanDerWaalsContact C-N 3.25Å; Q898-E900 PolarHBondContact O-N 2.93Å | ||
| 899 | N | 86.9 | Confident | 91.8 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | trans | 57.3 | 29.6 | 176 | -159.3 | 43.2 | 0 | 0 | 0 | 115.6 | S829 F897 | S829-N899 PolarHBondContact O-N 2.93Å; F897-N899 HydrophobicContact CD1-CB 3.83Å; F897-N899 HydrophobicContact CE1-CB 3.4Å; F897-N899 VanDerWaalsContact CE1-CB 3.4Å; F897-N899 VanDerWaalsContact CE1-OD1 3.29Å; F897-N899 WeakPolarHBondContact CE1-OD1 3.24Å; F897-N899 HydrophobicContact CZ-CB 4.01Å | ||
| 900 | E | 86.6 | Confident | 91.8 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -103.4 | -173.8 | 177.6 | -68.4 | -75.8 | -170 | 0 | 0 | 110.5 | S830 A831 Q872 R873 Q898 | S830-E900 CarbonylContact C-O 3.36Å; S830-E900 WeakPolarHBondContact CA-O 3.29Å; S830-E900 VanDerWaalsContact CB-O 3.22Å; S830-E900 WeakPolarHBondContact CB-O 3.43Å; A831-E900 PolarHBondContact N-O 2.88Å; Q872-E900 HydrophobicContact CB-CB 4.27Å; R873-E900 HydrophobicContact CG-CG 4.17Å; R873-E900 IonicContact CZ-OE1 3.21Å; R873-E900 IonicContact NE-OE1 2.62Å; R873-E900 PolarHBondContact NE-OE1 2.9Å; R873-E900 IonicContact NH2-OE1 3.56Å; R873-E900 PolarHBondContact NH2-OE1 3.33Å; Q898-E900 VanDerWaalsContact C-N 3.25Å; Q898-E900 PolarHBondContact O-N 2.93Å |
| 901 | G | 85.1 | Confident | 91.7 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | trans | -65 | -175.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S830 S871 Q872 | S830-G901 WeakPolarHBondContact CB-O 3.27Å; S871-G901 CarbonylContact C-O 3.5Å; S871-G901 WeakPolarHBondContact CA-O 3.48Å; S871-G901 WeakPolarHBondContact CB-O 3.22Å; Q872-G901 PolarHBondContact N-O 3.05Å | ||
| 902 | T | 87.6 | Confident | 91.5 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | trans | -112.3 | 120.4 | -178.6 | -34.7 | 0 | 0 | 0 | 0 | 110.3 | S830 S832 Y870 V904 S936 Q937 | S830-T902 WeakPolarHBondContact CB-OG1 3.48Å; S830-T902 PolarHBondContact OG-OG1 3.03Å; S832-T902 PolarHBondContact OG-OG1 3.03Å; Y870-T902 HydrophobicContact CE2-CG2 3.99Å; T902-V904 HydrophobicContact CG2-CG2 4.29Å; T902-S936 WeakPolarHBondContact O-CA 3.41Å; T902-S936 PolarHBondContact O-OG 3.04Å; T902-Q937 PolarHBondContact O-N 2.81Å | ||
| 903 | D | 90.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | trans | -126.8 | 94.8 | 172.3 | -166.7 | -33.1 | 0 | 0 | 0 | 111.7 | Y870 S871 L905 Q906 A907 | Y870-D903 WeakPolarHBondContact CD2-O 3.17Å; S871-D903 PolarHBondContact O-N 2.78Å; D903-L905 VanDerWaalsContact C-N 3.32Å; D903-L905 WeakPolarHBondContact OD1-CA 3.5Å; D903-L905 WeakPolarHBondContact OD1-CB 3.42Å; D903-L905 PolarHBondContact OD1-N 2.89Å; D903-Q906 HydrophobicContact CB-CB 4.18Å; D903-Q906 PolarHBondContact OD1-N 3.34Å; D903-A907 PolarHBondContact O-N 2.87Å | ||
| 904 | V | 91.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.1 | -25.8 | -178.9 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | Y870 T902 A907 M908 L930 S936 L975 | Y870-V904 HydrophobicContact CE2-CG2 4.13Å; T902-V904 HydrophobicContact CG2-CG2 4.29Å; V904-A907 PolarHBondContact O-N 2.98Å; V904-M908 HydrophobicContact CG1-CE 4.3Å; V904-M908 PolarHBondContact O-N 3.39Å; V904-M908 VanDerWaalsContact O-N 3.1Å; V904-L930 HydrophobicContact CG1-CD2 4.01Å; V904-S936 PolarHBondContact N-OG 2.8Å; V904-L975 HydrophobicContact CG1-CD1 4.28Å; V904-L975 HydrophobicContact CG1-CD2 3.95Å |
| 905 | L | 91.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.3 | -40.3 | 178.4 | -60.2 | 172.9 | 0 | 0 | 0 | 110.8 | D903 M908 Q909 V939 V943 L944 R947 | D903-L905 VanDerWaalsContact C-N 3.32Å; D903-L905 WeakPolarHBondContact OD1-CA 3.5Å; D903-L905 WeakPolarHBondContact OD1-CB 3.42Å; D903-L905 PolarHBondContact OD1-N 2.89Å; L905-M908 HydrophobicContact CD2-CE 4.18Å; L905-Q909 PolarHBondContact O-N 3Å; L905-Q909 VanDerWaalsContact O-N 3.11Å; L905-V939 HydrophobicContact CD1-CG2 3.71Å; L905-V939 HydrophobicContact CD2-CG2 3.98Å; L905-V939 HydrophobicContact CG-CG2 3.64Å; L905-V943 HydrophobicContact CD1-CG1 3.63Å; L905-V943 HydrophobicContact CD2-CG1 4.26Å; L905-L944 HydrophobicContact CD2-CD1 3.9Å; L905-R947 HydrophobicContact CD2-CB 3.82Å; L905-R947 HydrophobicContact CD2-CG 4.1Å |
| 906 | Q | 90.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 40.2 Ų | 40.2 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.4 | -37.5 | 174.9 | -161.6 | 177 | 22.6 | 0 | 0 | 111.4 | R873 P875 D903 M908 Q909 F910 | R873-Q906 PolarHBondContact O-OE1 2.84Å; P875-Q906 HydrophobicContact CG-CB 4.5Å; P875-Q906 HydrophobicContact CG-CG 4.06Å; D903-Q906 HydrophobicContact CB-CB 4.18Å; D903-Q906 PolarHBondContact OD1-N 3.34Å; Q906-M908 PolarHBondContact O-N 2.95Å; Q906-Q909 PolarHBondContact O-N 2.86Å; Q906-F910 VanDerWaalsContact O-CB 3.28Å; Q906-F910 WeakPolarHBondContact O-CB 3.45Å; Q906-F910 PolarHBondContact O-N 3.38Å |
| 907 | A | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L826 Y870 D903 V904 F910 A911 L930 | L826-A907 HydrophobicContact CD1-CB 4.22Å; L826-A907 VanDerWaalsContact CD1-O 3.32Å; L826-A907 WeakPolarHBondContact CD1-O 3.25Å; Y870-A907 HydrophobicContact CD1-CB 3.86Å; Y870-A907 HydrophobicContact CD2-CB 3.61Å; Y870-A907 HydrophobicContact CE1-CB 4.24Å; Y870-A907 HydrophobicContact CE2-CB 3.99Å; Y870-A907 HydrophobicContact CG-CB 3.53Å; D903-A907 PolarHBondContact O-N 2.87Å; V904-A907 PolarHBondContact O-N 2.98Å; A907-F910 WeakPolarHBondContact O-CB 3.48Å; A907-F910 PolarHBondContact O-N 3.44Å; A907-A911 PolarHBondContact O-N 2.76Å; A907-L930 HydrophobicContact CB-CD1 4.1Å |
| 908 | M | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.7 | -76.2 | -168.4 | -77.7 | 0 | 0 | 112.7 | V904 L905 Q906 F910 A911 I912 L930 L944 R947 V948 V951 L958 L975 | V904-M908 HydrophobicContact CG1-CE 4.3Å; V904-M908 PolarHBondContact O-N 3.39Å; V904-M908 VanDerWaalsContact O-N 3.1Å; L905-M908 HydrophobicContact CD2-CE 4.18Å; Q906-M908 PolarHBondContact O-N 2.95Å; M908-F910 VanDerWaalsContact C-N 3.29Å; M908-F910 PolarHBondContact O-N 3.34Å; M908-A911 PolarHBondContact O-N 3.08Å; M908-I912 WeakPolarHBondContact O-CG1 3.34Å; M908-I912 PolarHBondContact O-N 2.96Å; M908-I912 VanDerWaalsContact O-N 3.09Å; M908-L930 HydrophobicContact CG-CD2 4.3Å; M908-L944 HydrophobicContact CE-CD1 3.7Å; M908-R947 HydrophobicContact CB-CG 3.75Å; M908-R947 HydrophobicContact CE-CB 3.93Å; M908-R947 HydrophobicContact CE-CG 3.5Å; M908-R947 HydrophobicContact CG-CG 4.49Å; M908-R947 HydrophobicContact SD-CG 4.06Å; M908-V948 HydrophobicContact CE-CG2 4.15Å; M908-V948 HydrophobicContact SD-CG2 3.95Å; M908-V951 HydrophobicContact CB-CG2 3.8Å; M908-V951 HydrophobicContact CG-CG2 4.08Å; M908-V951 HydrophobicContact SD-CG2 4Å; M908-L958 HydrophobicContact SD-CD2 4.09Å; M908-L975 HydrophobicContact CE-CD2 3.65Å; M908-L975 HydrophobicContact SD-CD2 3.82Å |
| 909 | Q | 92.2 | Very high | 84.3 | Confident | 80 Ų | 80 | 48.1 Ų | 48.1 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175 | 176.6 | 60.9 | 72.5 | 0 | 0 | 112.1 | L905 Q906 I912 S913 | L905-Q909 PolarHBondContact O-N 3Å; L905-Q909 VanDerWaalsContact O-N 3.11Å; Q906-Q909 PolarHBondContact O-N 2.86Å; Q909-I912 PolarHBondContact O-N 2.94Å; Q909-S913 PolarHBondContact O-N 2.59Å |
| 910 | F | 93.3 | Very high | 82.4 | Confident | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176 | 177.9 | -106.3 | 0 | 0 | 0 | 111.2 | L826 P875 L877 Q906 A907 M908 I912 S913 S914 | L826-F910 HydrophobicContact CD1-CD1 4.21Å; L826-F910 HydrophobicContact CD2-CD1 3.99Å; L826-F910 HydrophobicContact CD2-CE1 3.96Å; P875-F910 HydrophobicContact CB-CB 3.92Å; P875-F910 HydrophobicContact CB-CD1 3.65Å; P875-F910 HydrophobicContact CB-CD2 3.93Å; P875-F910 HydrophobicContact CB-CE1 4.03Å; P875-F910 HydrophobicContact CB-CE2 4.29Å; P875-F910 HydrophobicContact CB-CG 3.58Å; P875-F910 HydrophobicContact CB-CZ 4.32Å; P875-F910 HydrophobicContact CG-CB 3.89Å; P875-F910 HydrophobicContact CG-CG 4.11Å; P875-F910 WeakPolarHBondContact O-CE2 3.4Å; L877-F910 HydrophobicContact CB-CZ 3.97Å; Q906-F910 VanDerWaalsContact O-CB 3.28Å; Q906-F910 WeakPolarHBondContact O-CB 3.45Å; Q906-F910 PolarHBondContact O-N 3.38Å; A907-F910 WeakPolarHBondContact O-CB 3.48Å; A907-F910 PolarHBondContact O-N 3.44Å; M908-F910 VanDerWaalsContact C-N 3.29Å; M908-F910 PolarHBondContact O-N 3.34Å; F910-I912 VanDerWaalsContact C-N 3.33Å; F910-I912 PolarHBondContact O-N 2.6Å; F910-S913 CarbonylContact O-C 3.53Å; F910-S913 WeakPolarHBondContact O-CA 3.45Å; F910-S913 PolarHBondContact O-N 3.19Å; F910-S913 PolarHBondContact O-OG 2.96Å; F910-S914 WeakPolarHBondContact O-CB 3.42Å; F910-S914 PolarHBondContact O-N 3.5Å; F910-S914 PolarHBondContact O-OG 3.42Å; F910-S914 VanDerWaalsContact O-OG 3.13Å |
| 911 | A | 93.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L824 L826 A907 M908 S913 S914 L915 L928 | L824-A911 HydrophobicContact CD2-CB 3.89Å; L826-A911 HydrophobicContact CD1-CB 4.07Å; A907-A911 PolarHBondContact O-N 2.76Å; M908-A911 PolarHBondContact O-N 3.08Å; A911-S913 VanDerWaalsContact C-N 3.26Å; A911-S913 PolarHBondContact O-N 3.48Å; A911-S914 PolarHBondContact O-N 3.4Å; A911-L915 WeakPolarHBondContact O-CB 3.17Å; A911-L915 PolarHBondContact O-N 3.39Å; A911-L928 HydrophobicContact CB-CD1 3.81Å; A911-L928 HydrophobicContact CB-CD2 3.5Å; A911-L928 VanDerWaalsContact CB-CD2 3.5Å; A911-L928 HydrophobicContact CB-CG 4.23Å |
| 912 | I | 92.3 | Very high | 79 | Confident | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 173.8 | -65.6 | 166.8 | 0 | 0 | 0 | 111.2 | M908 Q909 F910 E950 V951 A954 I956 | M908-I912 WeakPolarHBondContact O-CG1 3.34Å; M908-I912 PolarHBondContact O-N 2.96Å; M908-I912 VanDerWaalsContact O-N 3.09Å; Q909-I912 PolarHBondContact O-N 2.94Å; F910-I912 VanDerWaalsContact C-N 3.33Å; F910-I912 PolarHBondContact O-N 2.6Å; I912-E950 HydrophobicContact CD1-CB 4.25Å; I912-V951 HydrophobicContact CD1-CG2 3.83Å; I912-V951 HydrophobicContact CG1-CG2 4.05Å; I912-A954 HydrophobicContact CG1-CB 4.2Å; I912-A954 HydrophobicContact CG2-CB 4.14Å; I912-I956 HydrophobicContact CB-CD1 4.46Å; I912-I956 HydrophobicContact CG1-CD1 4.1Å |
| 913 | S | 90.1 | Very high | 77.9 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -77.7 | -30.6 | 177.8 | 68.4 | 0 | 0 | 0 | 0 | 114.2 | Q909 F910 A911 | Q909-S913 PolarHBondContact O-N 2.59Å; F910-S913 CarbonylContact O-C 3.53Å; F910-S913 WeakPolarHBondContact O-CA 3.45Å; F910-S913 PolarHBondContact O-N 3.19Å; F910-S913 PolarHBondContact O-OG 2.96Å; A911-S913 VanDerWaalsContact C-N 3.26Å; A911-S913 PolarHBondContact O-N 3.48Å |
| 914 | S | 89.6 | Confident | 77.2 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -88.4 | -18.3 | -176.9 | -59.2 | 0 | 0 | 0 | 0 | 114.3 | F910 A911 P916 | F910-S914 WeakPolarHBondContact O-CB 3.42Å; F910-S914 PolarHBondContact O-N 3.5Å; F910-S914 PolarHBondContact O-OG 3.42Å; F910-S914 VanDerWaalsContact O-OG 3.13Å; A911-S914 PolarHBondContact O-N 3.4Å; S914-P916 WeakPolarHBondContact O-CD 3.43Å |
| 915 | L | 86.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -99.8 | 95.4 | 172.2 | -72.9 | 171.7 | 0 | 0 | 0 | 109.5 | N822 L824 L881 A911 S917 R926 I956 | N822-L915 HydrophobicContact CB-CD2 4.14Å; L824-L915 HydrophobicContact CB-CD1 4.01Å; L824-L915 HydrophobicContact CB-CD2 3.89Å; L824-L915 HydrophobicContact CB-CG 3.97Å; L824-L915 HydrophobicContact CD2-CG 4.24Å; L881-L915 HydrophobicContact CD1-CD2 4.3Å; L881-L915 HydrophobicContact CD2-CD2 4.32Å; A911-L915 WeakPolarHBondContact O-CB 3.17Å; A911-L915 PolarHBondContact O-N 3.39Å; L915-S917 PolarHBondContact O-N 2.89Å; L915-R926 HydrophobicContact CD1-CB 4.41Å; L915-I956 HydrophobicContact CB-CD1 4.13Å; L915-I956 HydrophobicContact CD1-CD1 4.03Å; L915-I956 HydrophobicContact CD1-CG1 4.14Å; L915-I956 HydrophobicContact CD1-CG2 3.82Å |
| 916 | P | 71.6 | Confident | 77.1 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | trans | -57.6 | 132.1 | -167.8 | 21.4 | -33.1 | 0 | 0 | 0 | 112.6 | S914 | S914-P916 WeakPolarHBondContact O-CD 3.43Š| ||
| 917 | S | 62.4 | Low | 77.3 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 47% | 0.469 | 36% | 0.359 | S | S | . | . | trans | -93.8 | 126.2 | 176.3 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | L915 G919 R926 | L915-S917 PolarHBondContact O-N 2.89Å; S917-G919 PolarHBondContact O-N 3.31Å; S917-R926 PolarHBondContact OG-NH1 3.49Å | ||
| 918 | R | 52.9 | Low | 77.5 | Confident | 254 Ų | 254 | 60.1 Ų | 60.1 | 96% | 0.958 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 66.1 | 11.1 | 162.7 | -75.8 | 177.7 | 163.9 | 171.5 | -4.6 | 119.7 | ||
| 919 | G | 48.8 | Very low | 77.7 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 71% | 0.711 | 36% | 0.359 | S | S | * | . | trans | -83.8 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S917 | S917-G919 PolarHBondContact O-N 3.31Š| ||
| 920 | D | 47.1 | Very low | 77.9 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | trans | -82.5 | 127.9 | -177 | -80 | -7.8 | 0 | 0 | 0 | 111.3 | K864 S922 | K864-D920 IonicContact NZ-OD2 3.85Å; D920-S922 PolarHBondContact O-N 3.01Å | ||
| 921 | A | 46.3 | Very low | 78 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 97% | 0.967 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 17.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 922 | S | 53.5 | Low | 78 | Confident | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5.5 | -168.2 | 73.7 | 0 | 0 | 0 | 0 | 115.5 | D920 S924 | D920-S922 PolarHBondContact O-N 3.01Å; S922-S924 PolarHBondContact O-N 2.82Å; S922-S924 VanDerWaalsContact O-N 3.13Å; S922-S924 PolarHBondContact OG-OG 3.1Å |
| 923 | G | 63 | Low | 77.7 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | trans | 60.4 | 21.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 924 | S | 77.3 | Confident | 77.4 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | trans | -67.2 | 136.4 | -169.4 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | S820 N822 S922 | S820-S924 CarbonylContact O-C 3.51Å; S820-S924 WeakPolarHBondContact O-CA 3.11Å; S820-S924 WeakPolarHBondContact O-CB 3.33Å; N822-S924 PolarHBondContact ND2-OG 3.23Å; N822-S924 VanDerWaalsContact ND2-OG 3.17Å; S922-S924 PolarHBondContact O-N 2.82Å; S922-S924 VanDerWaalsContact O-N 3.13Å; S922-S924 PolarHBondContact OG-OG 3.1Å | ||
| 925 | R | 88.9 | Confident | 77.2 | Confident | 120 Ų | 120 | 55 Ų | 55 | 45% | 0.453 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 144.7 | 172.6 | -65.9 | -64.3 | -172.9 | 153.6 | 9 | 109.9 | Q819 S820 T821 N822 | Q819-R925 HydrophobicContact CB-CG 4.35Å; S820-R925 PolarHBondContact O-N 2.77Å; T821-R925 CarbonylContact C-O 3.14Å; T821-R925 WeakPolarHBondContact CA-O 3.42Å; T821-R925 HydrophobicContact CG2-CB 4.22Å; N822-R925 PolarHBondContact N-O 2.77Å |
| 926 | R | 92.4 | Very high | 77.1 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.6 | 178.9 | -73.3 | 169.3 | -67.7 | 147.2 | 11 | 108.8 | N822 L915 S917 A954 G955 I956 E957 | N822-R926 HydrophobicContact CB-CG 4.34Å; N822-R926 WeakPolarHBondContact O-CA 3.34Å; L915-R926 HydrophobicContact CD1-CB 4.41Å; S917-R926 PolarHBondContact OG-NH1 3.49Å; R926-A954 PolarHBondContact NH1-O 3.24Å; R926-A954 PolarHBondContact NH2-O 2.9Å; R926-G955 PolarHBondContact NH2-O 3.17Å; R926-I956 HydrophobicContact CB-CG1 4.1Å; R926-I956 WeakPolarHBondContact O-CA 3.18Å; R926-E957 PolarHBondContact O-N 2.99Å |
| 927 | K | 94.7 | Very high | 77.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.5 | -175 | -57.5 | -165.7 | 173.3 | -139.6 | 0 | 110.1 | T821 N822 I823 L824 E957 F959 V1013 L1015 | T821-K927 HydrophobicContact CG2-CD 4.06Å; T821-K927 HydrophobicContact CG2-CG 4.07Å; N822-K927 PolarHBondContact O-N 2.91Å; I823-K927 WeakPolarHBondContact CA-O 3.46Å; I823-K927 HydrophobicContact CG1-CB 4.49Å; L824-K927 PolarHBondContact N-O 3.19Å; K927-E957 CarbonylContact C-O 3.55Å; K927-E957 WeakPolarHBondContact CA-O 3.2Å; K927-E957 VanDerWaalsContact CE-OE2 3.29Å; K927-E957 WeakPolarHBondContact CE-OE2 3.45Å; K927-E957 HydrophobicContact CG-CB 4.33Å; K927-E957 IonicContact NZ-OE2 2.88Å; K927-E957 PolarHBondContact NZ-OE2 3.23Å; K927-F959 HydrophobicContact CB-CE2 4.34Å; K927-F959 HydrophobicContact CD-CE2 3.95Å; K927-F959 HydrophobicContact CG-CE2 4.37Å; K927-V1013 HydrophobicContact CD-CG1 4.19Å; K927-V1013 WeakPolarHBondContact CD-O 3.49Å; K927-V1013 WeakPolarHBondContact CE-O 3.44Å; K927-V1013 PolarHBondContact NZ-O 3.15Å; K927-L1015 PolarHBondContact NZ-O 3.09Å |
| 928 | L | 96.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.1 | 178.7 | 171.8 | 59.1 | 0 | 0 | 0 | 108.8 | L824 L826 A911 L930 I956 E957 L958 F959 | L824-L928 HydrophobicContact CB-CD1 4.42Å; L824-L928 HydrophobicContact CD2-CD1 4.38Å; L824-L928 HydrophobicContact CG-CD1 4.32Å; L824-L928 CarbonylContact O-C 3.4Å; L824-L928 WeakPolarHBondContact O-CA 3.29Å; L826-L928 HydrophobicContact CB-CD1 4.39Å; L826-L928 HydrophobicContact CD1-CD1 3.95Å; L826-L928 HydrophobicContact CG-CD1 3.88Å; A911-L928 HydrophobicContact CB-CD1 3.81Å; A911-L928 HydrophobicContact CB-CD2 3.5Å; A911-L928 VanDerWaalsContact CB-CD2 3.5Å; A911-L928 HydrophobicContact CB-CG 4.23Å; L928-L930 HydrophobicContact CG-CB 4.41Å; L928-I956 HydrophobicContact CB-CG2 3.72Å; L928-E957 PolarHBondContact N-O 3.38Å; L928-L958 HydrophobicContact CB-CD1 4.41Å; L928-L958 HydrophobicContact CD2-CD1 3.86Å; L928-L958 HydrophobicContact CG-CD1 3.92Å; L928-F959 PolarHBondContact O-N 3.02Å |
| 929 | V | 97.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.8 | 170.3 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | I823 L824 V825 L826 F931 F959 V961 V1013 | I823-V929 HydrophobicContact CG2-CG2 4.27Å; L824-V929 PolarHBondContact O-N 3.36Å; V825-V929 CarbonylContact C-O 3.58Å; V825-V929 WeakPolarHBondContact CA-O 3.44Å; V825-V929 HydrophobicContact CG1-CB 4.2Å; V825-V929 HydrophobicContact CG1-CG1 4.33Å; V825-V929 HydrophobicContact CG2-CB 4.24Å; L826-V929 PolarHBondContact N-O 3.01Å; V929-F931 HydrophobicContact CG1-CE2 4.48Å; V929-F959 WeakPolarHBondContact CA-O 3.47Å; V929-F959 HydrophobicContact CG2-CB 4.39Å; V929-V961 HydrophobicContact CG1-CG2 3.94Å; V929-V1013 HydrophobicContact CG2-CG1 4.16Å; V929-V1013 HydrophobicContact CG2-CG2 3.81Å |
| 930 | L | 97.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.2 | -172.3 | 178.8 | 63.1 | 0 | 0 | 0 | 110.6 | L826 Y870 V904 A907 M908 L928 L958 F959 V960 V961 L975 | L826-L930 HydrophobicContact CB-CD1 4.01Å; Y870-L930 HydrophobicContact CD1-CD1 4.31Å; Y870-L930 HydrophobicContact CE1-CD1 3.68Å; V904-L930 HydrophobicContact CG1-CD2 4.01Å; A907-L930 HydrophobicContact CB-CD1 4.1Å; M908-L930 HydrophobicContact CG-CD2 4.3Å; L928-L930 HydrophobicContact CG-CB 4.41Å; L930-L958 HydrophobicContact CB-CD1 3.74Å; L930-L958 HydrophobicContact CD2-CD1 3.99Å; L930-F959 PolarHBondContact N-O 3.26Å; L930-V960 CarbonylContact O-C 3.47Å; L930-V960 VanDerWaalsContact O-CA 3.31Å; L930-V960 WeakPolarHBondContact O-CA 3.27Å; L930-V961 PolarHBondContact O-N 3.48Å; L930-L975 HydrophobicContact CD2-CD2 4.46Å |
| 931 | F | 96.4 | Very high | 82.5 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.8 | 170.6 | -77.9 | -108.3 | 0 | 0 | 0 | 109.2 | V825 L826 D828 F844 V845 Y870 V929 V961 L1000 | V825-F931 HydrophobicContact CG1-CD2 4.47Å; V825-F931 HydrophobicContact CG1-CE2 4.01Å; L826-F931 WeakPolarHBondContact O-CD2 3.42Å; L826-F931 PolarHBondContact O-N 3.01Å; D828-F931 HydrophobicContact CB-CB 4.14Å; F844-F931 HydrophobicContact CD1-CE1 4.24Å; F844-F931 AromaticContact CD1-CZ 3.61Å; F844-F931 HydrophobicContact CD1-CZ 3.61Å; F844-F931 HydrophobicContact CE1-CE1 4.44Å; F844-F931 AromaticContact CE1-CZ 3.72Å; F844-F931 HydrophobicContact CE1-CZ 3.72Å; V845-F931 HydrophobicContact CG2-CE2 3.83Å; V845-F931 HydrophobicContact CG2-CZ 3.96Å; Y870-F931 WeakPolarHBondContact CE1-O 3.26Å; Y870-F931 PolarHBondContact OH-O 3.43Å; V929-F931 HydrophobicContact CG1-CE2 4.48Å; F931-V961 WeakPolarHBondContact CA-O 3.2Å; F931-V961 HydrophobicContact CD1-CB 4.27Å; F931-V961 HydrophobicContact CD1-CG1 4.17Å; F931-V961 HydrophobicContact CD2-CB 4.49Å; F931-V961 HydrophobicContact CE1-CB 4.13Å; F931-V961 HydrophobicContact CE1-CG1 3.75Å; F931-V961 HydrophobicContact CE2-CB 4.34Å; F931-V961 HydrophobicContact CE2-CG2 4.43Å; F931-V961 HydrophobicContact CG-CB 4.43Å; F931-V961 HydrophobicContact CZ-CB 4.13Å; F931-V961 HydrophobicContact CZ-CG1 4.03Å; F931-V961 HydrophobicContact CZ-CG2 4.37Å; F931-L1000 HydrophobicContact CE1-CD1 4.26Å |
| 932 | S | 93 | Very high | 84.3 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | trans | -164.2 | 141.2 | 175.7 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | G934 V961 S962 | S932-G934 VanDerWaalsContact C-N 3.27Å; S932-G934 PolarHBondContact OG-N 3.46Å; S932-V961 PolarHBondContact N-O 3.21Å; S932-S962 VanDerWaalsContact O-CA 3.26Å; S932-S962 WeakPolarHBondContact O-CA 3.49Å; S932-S962 VanDerWaalsContact O-CB 3.3Å; S932-S962 WeakPolarHBondContact O-CB 2.98Å; S932-S962 PolarHBondContact O-OG 3.2Å | ||
| 933 | D | 86.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | trans | -87.1 | 6.6 | 167.3 | 70.7 | -14.2 | 0 | 0 | 0 | 112.6 | R935 V967 N968 | D933-R935 PolarHBondContact O-N 2.98Å; D933-R935 WeakPolarHBondContact OD1-CA 3.22Å; D933-R935 VanDerWaalsContact OD1-CB 3.24Å; D933-R935 WeakPolarHBondContact OD1-CB 3.27Å; D933-R935 PolarHBondContact OD1-N 2.98Å; D933-R935 VanDerWaalsContact OD2-CD 3.25Å; D933-R935 WeakPolarHBondContact OD2-CD 3.21Å; D933-R935 WeakPolarHBondContact OD2-CG 3.42Å; D933-V967 HydrophobicContact CB-CG1 4.17Å; D933-V967 CarbonylContact O-C 3.57Å; D933-V967 WeakPolarHBondContact O-CA 3.4Å; D933-V967 WeakPolarHBondContact O-CB 3.45Å; D933-N968 PolarHBondContact O-N 3.01Å | ||
| 934 | G | 82.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 77.5 | -4.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S932 N971 | S932-G934 VanDerWaalsContact C-N 3.27Å; S932-G934 PolarHBondContact OG-N 3.46Å; G934-N971 WeakPolarHBondContact O-CB 3.38Å; G934-N971 PolarHBondContact O-ND2 3.06Å |
| 935 | R | 86.3 | Confident | 88 | Confident | 115 Ų | 115 | 47.4 Ų | 47.4 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | trans | -85.2 | 139.6 | 173.4 | -57.2 | -178.1 | 173.2 | 169.9 | -10.9 | 109 | D933 Q966 N968 | D933-R935 PolarHBondContact O-N 2.98Å; D933-R935 WeakPolarHBondContact OD1-CA 3.22Å; D933-R935 VanDerWaalsContact OD1-CB 3.24Å; D933-R935 WeakPolarHBondContact OD1-CB 3.27Å; D933-R935 PolarHBondContact OD1-N 2.98Å; D933-R935 VanDerWaalsContact OD2-CD 3.25Å; D933-R935 WeakPolarHBondContact OD2-CD 3.21Å; D933-R935 WeakPolarHBondContact OD2-CG 3.42Å; R935-Q966 PolarHBondContact NE-O 2.99Å; R935-Q966 PolarHBondContact NH2-O 3.26Å; R935-N968 HydrophobicContact CG-CB 4.17Å | ||
| 936 | S | 84.5 | Confident | 88.1 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | trans | -157.4 | 141.7 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | T902 V904 | T902-S936 WeakPolarHBondContact O-CA 3.41Å; T902-S936 PolarHBondContact O-OG 3.04Å; V904-S936 PolarHBondContact N-OG 2.8Å | ||
| 937 | Q | 79 | Confident | 88 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 149.2 | 166.7 | -62.3 | -175.9 | 2.8 | 0 | 0 | 109.6 | Q872 T902 V939 | Q872-Q937 VanDerWaalsContact NE2-OE1 3.12Å; T902-Q937 PolarHBondContact O-N 2.81Å; Q937-V939 PolarHBondContact O-N 3.38Å |
| 938 | R | 70 | Confident | 87.9 | Confident | 214 Ų | 214 | 48.3 Ų | 48.3 | 81% | 0.808 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 13.8 | 173.7 | -56.5 | 175.4 | 177.1 | 170.7 | -1.9 | 116 | ||
| 939 | V | 81.4 | Confident | 87.7 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | trans | -81.3 | 131.4 | 175 | 150.1 | 0 | 0 | 0 | 0 | 111.4 | L905 Q937 L944 N971 | L905-V939 HydrophobicContact CD1-CG2 3.71Å; L905-V939 HydrophobicContact CD2-CG2 3.98Å; L905-V939 HydrophobicContact CG-CG2 3.64Å; Q937-V939 PolarHBondContact O-N 3.38Å; V939-L944 HydrophobicContact CG1-CB 4.29Å; V939-L944 HydrophobicContact CG1-CD2 4.24Å; V939-L944 HydrophobicContact CG2-CD1 4.38Å; V939-N971 WeakPolarHBondContact CG1-ND2 3.49Å | ||
| 940 | T | 83.8 | Confident | 87.4 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | trans | -121.2 | 153.5 | 157.6 | 64.1 | 0 | 0 | 0 | 0 | 108.1 | A942 V943 L944 | T940-A942 VanDerWaalsContact C-N 3.28Å; T940-A942 PolarHBondContact O-N 2.73Å; T940-V943 PolarHBondContact O-N 2.79Å; T940-V943 VanDerWaalsContact O-N 3.08Å; T940-V943 WeakPolarHBondContact OG1-CG2 3.4Å; T940-L944 PolarHBondContact O-N 3.43Å | ||
| 941 | G | 81.4 | Confident | 87.2 | Confident | 40 Ų | 40 | 56 Ų | 56 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53 | -43.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V943 L944 E945 | G941-V943 PolarHBondContact O-N 3.33Å; G941-L944 PolarHBondContact O-N 3.33Å; G941-E945 WeakPolarHBondContact O-CB 3.13Å; G941-E945 PolarHBondContact O-N 2.76Å |
| 942 | A | 85.4 | Confident | 86.9 | Confident | 73 Ų | 73 | 57.4 Ų | 57.4 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | T940 K946 | T940-A942 VanDerWaalsContact C-N 3.28Å; T940-A942 PolarHBondContact O-N 2.73Å; A942-K946 WeakPolarHBondContact O-CB 3.35Å; A942-K946 PolarHBondContact O-N 2.82Å; A942-K946 VanDerWaalsContact O-N 3.08Å |
| 943 | V | 89.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.9 | -37.3 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L905 T940 G941 R947 | L905-V943 HydrophobicContact CD1-CG1 3.63Å; L905-V943 HydrophobicContact CD2-CG1 4.26Å; T940-V943 PolarHBondContact O-N 2.79Å; T940-V943 VanDerWaalsContact O-N 3.08Å; T940-V943 WeakPolarHBondContact OG1-CG2 3.4Å; G941-V943 PolarHBondContact O-N 3.33Å; V943-R947 WeakPolarHBondContact O-CB 3.09Å; V943-R947 PolarHBondContact O-N 2.81Å |
| 944 | L | 90.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -49.8 | 175.3 | -174 | 63.6 | 0 | 0 | 0 | 111.4 | L905 M908 V939 T940 G941 K946 R947 V948 N971 T974 L975 | L905-L944 HydrophobicContact CD2-CD1 3.9Å; M908-L944 HydrophobicContact CE-CD1 3.7Å; V939-L944 HydrophobicContact CG1-CB 4.29Å; V939-L944 HydrophobicContact CG1-CD2 4.24Å; V939-L944 HydrophobicContact CG2-CD1 4.38Å; T940-L944 PolarHBondContact O-N 3.43Å; G941-L944 PolarHBondContact O-N 3.33Å; L944-K946 VanDerWaalsContact C-N 3.34Å; L944-K946 PolarHBondContact O-N 2.8Å; L944-R947 PolarHBondContact O-N 2.9Å; L944-R947 VanDerWaalsContact O-N 3.12Å; L944-V948 VanDerWaalsContact O-CG2 3.3Å; L944-V948 WeakPolarHBondContact O-CG2 3.31Å; L944-V948 PolarHBondContact O-N 3.46Å; L944-N971 HydrophobicContact CD2-CB 3.66Å; L944-T974 HydrophobicContact CB-CG2 4.27Å; L944-T974 HydrophobicContact CD2-CG2 3.96Å; L944-T974 HydrophobicContact CG-CG2 3.88Å; L944-L975 HydrophobicContact CD1-CD2 3.83Å; L944-L975 HydrophobicContact CD1-CG 4.35Å |
| 945 | E | 89.8 | Confident | 87.2 | Confident | 68 Ų | 68 | 65 Ų | 65 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.7 | -169.9 | -161.8 | 133.9 | 0 | 0 | 111.6 | G941 R947 V948 R949 T974 | G941-E945 WeakPolarHBondContact O-CB 3.13Å; G941-E945 PolarHBondContact O-N 2.76Å; E945-R947 VanDerWaalsContact C-N 3.35Å; E945-R947 PolarHBondContact O-N 3.43Å; E945-V948 PolarHBondContact O-N 3.44Å; E945-R949 WeakPolarHBondContact O-CB 3.44Å; E945-R949 PolarHBondContact O-N 3.19Å; E945-R949 IonicContact OE1-CZ 3.9Å; E945-R949 IonicContact OE1-NH1 2.68Å; E945-R949 IonicContact OE1-NH2 3.11Å; E945-R949 PolarHBondContact OE1-NH2 2.86Å; E945-T974 HydrophobicContact CB-CG2 4.05Å |
| 946 | K | 90.8 | Very high | 87.5 | Confident | 129 Ų | 129 | 60 Ų | 60 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -57.1 | -47.4 | 174.2 | -176 | -174.9 | 177.6 | -165 | 0 | 111.5 | A942 L944 R949 E950 | A942-K946 WeakPolarHBondContact O-CB 3.35Å; A942-K946 PolarHBondContact O-N 2.82Å; A942-K946 VanDerWaalsContact O-N 3.08Å; L944-K946 VanDerWaalsContact C-N 3.34Å; L944-K946 PolarHBondContact O-N 2.8Å; K946-R949 WeakPolarHBondContact O-CB 3.35Å; K946-R949 PolarHBondContact O-N 3.35Å; K946-E950 WeakPolarHBondContact CE-OE1 3.39Å; K946-E950 IonicContact NZ-OE1 2.68Å; K946-E950 WeakPolarHBondContact O-CG 3.3Å; K946-E950 PolarHBondContact O-N 3.08Å |
| 947 | R | 92 | Very high | 87.9 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 21% | 0.208 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | -179.2 | -174.4 | 64.5 | 73.5 | -175.9 | 18.8 | 112.3 | L905 M908 V943 L944 E945 R949 E950 V951 | L905-R947 HydrophobicContact CD2-CB 3.82Å; L905-R947 HydrophobicContact CD2-CG 4.1Å; M908-R947 HydrophobicContact CB-CG 3.75Å; M908-R947 HydrophobicContact CE-CB 3.93Å; M908-R947 HydrophobicContact CE-CG 3.5Å; M908-R947 HydrophobicContact CG-CG 4.49Å; M908-R947 HydrophobicContact SD-CG 4.06Å; V943-R947 WeakPolarHBondContact O-CB 3.09Å; V943-R947 PolarHBondContact O-N 2.81Å; L944-R947 PolarHBondContact O-N 2.9Å; L944-R947 VanDerWaalsContact O-N 3.12Å; E945-R947 VanDerWaalsContact C-N 3.35Å; E945-R947 PolarHBondContact O-N 3.43Å; R947-R949 VanDerWaalsContact C-N 3.34Å; R947-E950 WeakPolarHBondContact CD-OE2 3.47Å; R947-E950 IonicContact CZ-OE2 3.31Å; R947-E950 IonicContact NE-OE2 2.74Å; R947-E950 IonicContact NH1-OE2 3.82Å; R947-E950 PolarHBondContact NH1-OE2 3.39Å; R947-E950 PolarHBondContact O-N 3.36Å; R947-V951 WeakPolarHBondContact O-CG2 3.4Å; R947-V951 PolarHBondContact O-N 3.41Å; R947-V951 VanDerWaalsContact O-N 3.09Å |
| 948 | V | 92.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | M908 L944 E945 V951 A952 L975 | M908-V948 HydrophobicContact CE-CG2 4.15Å; M908-V948 HydrophobicContact SD-CG2 3.95Å; L944-V948 VanDerWaalsContact O-CG2 3.3Å; L944-V948 WeakPolarHBondContact O-CG2 3.31Å; L944-V948 PolarHBondContact O-N 3.46Å; E945-V948 PolarHBondContact O-N 3.44Å; V948-V951 PolarHBondContact O-N 2.73Å; V948-A952 PolarHBondContact O-N 3.4Å; V948-L975 HydrophobicContact CG2-CD2 4.08Å |
| 949 | R | 91 | Very high | 89.8 | Confident | 101 Ų | 101 | 47.4 Ų | 47.4 | 38% | 0.381 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 173.7 | -167.9 | 176 | -68.8 | 127.7 | 0.8 | 111.4 | E945 K946 R947 V951 A952 D953 G979 | E945-R949 WeakPolarHBondContact O-CB 3.44Å; E945-R949 PolarHBondContact O-N 3.19Å; E945-R949 IonicContact OE1-CZ 3.9Å; E945-R949 IonicContact OE1-NH1 2.68Å; E945-R949 IonicContact OE1-NH2 3.11Å; E945-R949 PolarHBondContact OE1-NH2 2.86Å; K946-R949 WeakPolarHBondContact O-CB 3.35Å; K946-R949 PolarHBondContact O-N 3.35Å; R947-R949 VanDerWaalsContact C-N 3.34Å; R949-V951 VanDerWaalsContact C-N 3.32Å; R949-V951 PolarHBondContact O-N 3.07Å; R949-A952 PolarHBondContact O-N 3.28Å; R949-A952 VanDerWaalsContact O-N 3.12Å; R949-D953 WeakPolarHBondContact O-CB 3.48Å; R949-D953 VanDerWaalsContact O-CG 3.23Å; R949-D953 PolarHBondContact O-N 3.02Å; R949-G979 PolarHBondContact NE-O 2.77Å; R949-G979 PolarHBondContact NH2-O 2.69Å |
| 950 | E | 92.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 46 Ų | 46 | 27% | 0.271 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 174.9 | -69.3 | 166.3 | -180 | 0 | 0 | 113.3 | I912 K946 R947 A954 | I912-E950 HydrophobicContact CD1-CB 4.25Å; K946-E950 WeakPolarHBondContact CE-OE1 3.39Å; K946-E950 IonicContact NZ-OE1 2.68Å; K946-E950 WeakPolarHBondContact O-CG 3.3Å; K946-E950 PolarHBondContact O-N 3.08Å; R947-E950 WeakPolarHBondContact CD-OE2 3.47Å; R947-E950 IonicContact CZ-OE2 3.31Å; R947-E950 IonicContact NE-OE2 2.74Å; R947-E950 IonicContact NH1-OE2 3.82Å; R947-E950 PolarHBondContact NH1-OE2 3.39Å; R947-E950 PolarHBondContact O-N 3.36Å; E950-A954 VanDerWaalsContact O-CB 3.23Å; E950-A954 WeakPolarHBondContact O-CB 3.15Å; E950-A954 PolarHBondContact O-N 3.04Å |
| 951 | V | 92.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 172.8 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | M908 I912 R947 V948 R949 A954 G955 I956 L958 | M908-V951 HydrophobicContact CB-CG2 3.8Å; M908-V951 HydrophobicContact CG-CG2 4.08Å; M908-V951 HydrophobicContact SD-CG2 4Å; I912-V951 HydrophobicContact CD1-CG2 3.83Å; I912-V951 HydrophobicContact CG1-CG2 4.05Å; R947-V951 WeakPolarHBondContact O-CG2 3.4Å; R947-V951 PolarHBondContact O-N 3.41Å; R947-V951 VanDerWaalsContact O-N 3.09Å; V948-V951 PolarHBondContact O-N 2.73Å; R949-V951 VanDerWaalsContact C-N 3.32Å; R949-V951 PolarHBondContact O-N 3.07Å; V951-A954 PolarHBondContact O-N 2.9Å; V951-G955 PolarHBondContact O-N 2.67Å; V951-I956 HydrophobicContact CG1-CB 3.84Å; V951-I956 HydrophobicContact CG1-CG2 3.95Å; V951-I956 PolarHBondContact O-N 2.78Å; V951-I956 VanDerWaalsContact O-N 3.14Å; V951-L958 HydrophobicContact CG1-CB 4.4Å |
| 952 | A | 90 | Very high | 91.8 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V948 R949 A954 G955 R978 | V948-A952 PolarHBondContact O-N 3.4Å; R949-A952 PolarHBondContact O-N 3.28Å; R949-A952 VanDerWaalsContact O-N 3.12Å; A952-A954 VanDerWaalsContact C-N 3.3Å; A952-A954 PolarHBondContact O-N 3.42Å; A952-G955 WeakPolarHBondContact O-CA 3.45Å; A952-G955 PolarHBondContact O-N 3.37Å; A952-R978 HydrophobicContact CB-CB 4.45Å |
| 953 | D | 89.8 | Confident | 92.1 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 70% | 0.695 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -64.8 | -33.9 | 175.8 | -68.6 | -22.3 | 0 | 0 | 0 | 111.8 | R949 G955 | R949-D953 WeakPolarHBondContact O-CB 3.48Å; R949-D953 VanDerWaalsContact O-CG 3.23Å; R949-D953 PolarHBondContact O-N 3.02Å; D953-G955 PolarHBondContact O-N 3.29Å; D953-G955 VanDerWaalsContact O-N 3.17Å |
| 954 | A | 89.5 | Confident | 91.7 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I912 R926 E950 V951 A952 I956 | I912-A954 HydrophobicContact CG1-CB 4.2Å; I912-A954 HydrophobicContact CG2-CB 4.14Å; R926-A954 PolarHBondContact NH1-O 3.24Å; R926-A954 PolarHBondContact NH2-O 2.9Å; E950-A954 VanDerWaalsContact O-CB 3.23Å; E950-A954 WeakPolarHBondContact O-CB 3.15Å; E950-A954 PolarHBondContact O-N 3.04Å; V951-A954 PolarHBondContact O-N 2.9Å; A952-A954 VanDerWaalsContact C-N 3.3Å; A952-A954 PolarHBondContact O-N 3.42Å; A954-I956 HydrophobicContact CB-CD1 4.12Å; A954-I956 HydrophobicContact CB-CG1 4.38Å |
| 955 | G | 89 | Confident | 90.9 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 34.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R926 V951 A952 D953 | R926-G955 PolarHBondContact NH2-O 3.17Å; V951-G955 PolarHBondContact O-N 2.67Å; A952-G955 WeakPolarHBondContact O-CA 3.45Å; A952-G955 PolarHBondContact O-N 3.37Å; D953-G955 PolarHBondContact O-N 3.29Å; D953-G955 VanDerWaalsContact O-N 3.17Å |
| 956 | I | 92.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.2 | 177 | -60.8 | 166.4 | 0 | 0 | 0 | 108.6 | I912 L915 R926 L928 V951 A954 | I912-I956 HydrophobicContact CB-CD1 4.46Å; I912-I956 HydrophobicContact CG1-CD1 4.1Å; L915-I956 HydrophobicContact CB-CD1 4.13Å; L915-I956 HydrophobicContact CD1-CD1 4.03Å; L915-I956 HydrophobicContact CD1-CG1 4.14Å; L915-I956 HydrophobicContact CD1-CG2 3.82Å; R926-I956 HydrophobicContact CB-CG1 4.1Å; R926-I956 WeakPolarHBondContact O-CA 3.18Å; L928-I956 HydrophobicContact CB-CG2 3.72Å; V951-I956 HydrophobicContact CG1-CB 3.84Å; V951-I956 HydrophobicContact CG1-CG2 3.95Å; V951-I956 PolarHBondContact O-N 2.78Å; V951-I956 VanDerWaalsContact O-N 3.14Å; A954-I956 HydrophobicContact CB-CD1 4.12Å; A954-I956 HydrophobicContact CB-CG1 4.38Å |
| 957 | E | 92.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.9 | 175.5 | -170.3 | 165.1 | -114.1 | 0 | 0 | 110.5 | R926 K927 L928 F959 R978 H990 | R926-E957 PolarHBondContact O-N 2.99Å; K927-E957 CarbonylContact C-O 3.55Å; K927-E957 WeakPolarHBondContact CA-O 3.2Å; K927-E957 VanDerWaalsContact CE-OE2 3.29Å; K927-E957 WeakPolarHBondContact CE-OE2 3.45Å; K927-E957 HydrophobicContact CG-CB 4.33Å; K927-E957 IonicContact NZ-OE2 2.88Å; K927-E957 PolarHBondContact NZ-OE2 3.23Å; L928-E957 PolarHBondContact N-O 3.38Å; E957-F959 HydrophobicContact CB-CE2 4.21Å; E957-F959 HydrophobicContact CG-CD2 4.43Å; E957-F959 HydrophobicContact CG-CE2 3.64Å; E957-F959 HydrophobicContact CG-CZ 4.04Å; E957-R978 IonicContact OE1-NH2 2.59Å; E957-R978 PolarHBondContact OE1-NH2 2.93Å; E957-R978 VanDerWaalsContact OE1-NH2 3.12Å; E957-H990 IonicContact OE1-NE2 2.71Å |
| 958 | L | 94.4 | Very high | 90 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.1 | -174.9 | 171.3 | 56.9 | 0 | 0 | 0 | 111.6 | M908 L928 L930 V951 V960 L975 H990 | M908-L958 HydrophobicContact SD-CD2 4.09Å; L928-L958 HydrophobicContact CB-CD1 4.41Å; L928-L958 HydrophobicContact CD2-CD1 3.86Å; L928-L958 HydrophobicContact CG-CD1 3.92Å; L930-L958 HydrophobicContact CB-CD1 3.74Å; L930-L958 HydrophobicContact CD2-CD1 3.99Å; V951-L958 HydrophobicContact CG1-CB 4.4Å; L958-V960 HydrophobicContact CD1-CG2 4.07Å; L958-V960 HydrophobicContact CG-CG2 4.16Å; L958-L975 HydrophobicContact CD2-CB 4.48Å; L958-L975 HydrophobicContact CD2-CD2 4.37Å; L958-L975 WeakPolarHBondContact CD2-O 3.46Å; L958-H990 PolarHBondContact O-CD2 2.89Å |
| 959 | F | 96.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.1 | 169.7 | -63.4 | -94.8 | 0 | 0 | 0 | 109.2 | K927 L928 V929 L930 E957 H990 F992 V1013 | K927-F959 HydrophobicContact CB-CE2 4.34Å; K927-F959 HydrophobicContact CD-CE2 3.95Å; K927-F959 HydrophobicContact CG-CE2 4.37Å; L928-F959 PolarHBondContact O-N 3.02Å; V929-F959 WeakPolarHBondContact CA-O 3.47Å; V929-F959 HydrophobicContact CG2-CB 4.39Å; L930-F959 PolarHBondContact N-O 3.26Å; E957-F959 HydrophobicContact CB-CE2 4.21Å; E957-F959 HydrophobicContact CG-CD2 4.43Å; E957-F959 HydrophobicContact CG-CE2 3.64Å; E957-F959 HydrophobicContact CG-CZ 4.04Å; F959-H990 CarbonylContact C-O 3.57Å; F959-H990 WeakPolarHBondContact CA-O 3.36Å; F959-H990 HydrophobicContact CD1-CB 4.37Å; F959-H990 AromaticContact CD1-CD2 3.5Å; F959-H990 AromaticContact CE1-CD2 3.31Å; F959-H990 WeakPolarHBondContact CE1-CD2 3.4Å; F959-H990 AromaticContact CE1-NE2 3.47Å; F959-H990 WeakPolarHBondContact CE1-NE2 3.32Å; F959-H990 AromaticContact CE2-CD2 3.99Å; F959-H990 AromaticContact CG-CD2 3.92Å; F959-H990 AromaticContact CZ-CD2 3.56Å; F959-H990 AromaticContact CZ-NE2 3.45Å; F959-H990 WeakPolarHBondContact CZ-NE2 3.15Å; F959-F992 HydrophobicContact CB-CE2 4.21Å; F959-F992 AromaticContact CD1-CE2 3.96Å; F959-F992 HydrophobicContact CD1-CE2 3.96Å; F959-F992 HydrophobicContact CD1-CZ 4.23Å; F959-V1013 HydrophobicContact CB-CG2 4.29Å; F959-V1013 HydrophobicContact CD1-CG2 3.84Å; F959-V1013 HydrophobicContact CD2-CG2 4.07Å; F959-V1013 HydrophobicContact CE1-CG2 4.16Å; F959-V1013 HydrophobicContact CE2-CG2 4.39Å; F959-V1013 HydrophobicContact CG-CG2 3.79Å; F959-V1013 HydrophobicContact CZ-CG2 4.44Å |
| 960 | V | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.1 | -177.7 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | L930 L958 L972 L975 V976 H990 L991 F992 | L930-V960 CarbonylContact O-C 3.47Å; L930-V960 VanDerWaalsContact O-CA 3.31Å; L930-V960 WeakPolarHBondContact O-CA 3.27Å; L958-V960 HydrophobicContact CD1-CG2 4.07Å; L958-V960 HydrophobicContact CG-CG2 4.16Å; V960-L972 HydrophobicContact CG1-CD2 3.94Å; V960-L975 HydrophobicContact CG1-CD1 4.46Å; V960-L975 HydrophobicContact CG2-CB 3.87Å; V960-L975 HydrophobicContact CG2-CD1 4.31Å; V960-V976 HydrophobicContact CB-CG1 4.07Å; V960-V976 HydrophobicContact CG2-CG1 3.7Å; V960-H990 PolarHBondContact N-O 3.01Å; V960-L991 HydrophobicContact CB-CD1 3.84Å; V960-L991 HydrophobicContact CG1-CD1 3.76Å; V960-F992 WeakPolarHBondContact O-CD2 3.35Å; V960-F992 PolarHBondContact O-N 3.38Å |
| 961 | V | 96.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.3 | 171.1 | -179 | 0 | 0 | 0 | 0 | 108.1 | V929 L930 F931 S932 V963 F992 L1000 F1005 V1009 | V929-V961 HydrophobicContact CG1-CG2 3.94Å; L930-V961 PolarHBondContact O-N 3.48Å; F931-V961 WeakPolarHBondContact CA-O 3.2Å; F931-V961 HydrophobicContact CD1-CB 4.27Å; F931-V961 HydrophobicContact CD1-CG1 4.17Å; F931-V961 HydrophobicContact CD2-CB 4.49Å; F931-V961 HydrophobicContact CE1-CB 4.13Å; F931-V961 HydrophobicContact CE1-CG1 3.75Å; F931-V961 HydrophobicContact CE2-CB 4.34Å; F931-V961 HydrophobicContact CE2-CG2 4.43Å; F931-V961 HydrophobicContact CG-CB 4.43Å; F931-V961 HydrophobicContact CZ-CB 4.13Å; F931-V961 HydrophobicContact CZ-CG1 4.03Å; F931-V961 HydrophobicContact CZ-CG2 4.37Å; S932-V961 PolarHBondContact N-O 3.21Å; V961-V963 HydrophobicContact CG1-CG2 4.4Å; V961-F992 HydrophobicContact CG2-CD2 4.13Å; V961-L1000 HydrophobicContact CG1-CD2 3.96Å; V961-F1005 HydrophobicContact CG1-CE1 4.3Å; V961-F1005 HydrophobicContact CG1-CZ 4.43Å; V961-V1009 HydrophobicContact CG2-CG1 4.37Å |
| 962 | S | 94.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.2 | -178.5 | -158.5 | 0 | 0 | 0 | 0 | 111.7 | S932 V967 L972 F992 R993 V994 | S932-S962 VanDerWaalsContact O-CA 3.26Å; S932-S962 WeakPolarHBondContact O-CA 3.49Å; S932-S962 VanDerWaalsContact O-CB 3.3Å; S932-S962 WeakPolarHBondContact O-CB 2.98Å; S932-S962 PolarHBondContact O-OG 3.2Å; S962-V967 WeakPolarHBondContact OG-CG1 3.3Å; S962-L972 WeakPolarHBondContact OG-CD1 3.49Å; S962-F992 PolarHBondContact N-O 2.69Å; S962-R993 WeakPolarHBondContact O-CA 3.22Å; S962-V994 PolarHBondContact O-N 3.44Å |
| 963 | V | 91.9 | Very high | 89.1 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 126.1 | -171.5 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | V961 V994 D996 Y997 L1000 | V961-V963 HydrophobicContact CG1-CG2 4.4Å; V963-V994 WeakPolarHBondContact CA-O 3.5Å; V963-V994 HydrophobicContact CB-CG2 4.16Å; V963-V994 HydrophobicContact CG1-CG2 3.98Å; V963-V994 HydrophobicContact CG2-CG2 3.8Å; V963-D996 VanDerWaalsContact CG1-C 3.46Å; V963-Y997 HydrophobicContact CB-CD2 4.44Å; V963-Y997 HydrophobicContact CB-CE1 4.17Å; V963-Y997 HydrophobicContact CB-CE2 4.04Å; V963-Y997 HydrophobicContact CG1-CD1 3.91Å; V963-Y997 HydrophobicContact CG1-CD2 3.44Å; V963-Y997 VanDerWaalsContact CG1-CD2 3.44Å; V963-Y997 HydrophobicContact CG1-CE1 3.96Å; V963-Y997 HydrophobicContact CG1-CE2 3.51Å; V963-Y997 HydrophobicContact CG1-CG 3.64Å; V963-Y997 HydrophobicContact CG2-CE1 4.24Å; V963-L1000 HydrophobicContact CG2-CD1 4.21Å; V963-L1000 HydrophobicContact CG2-CD2 3.97Å; V963-L1000 HydrophobicContact CG2-CG 4.31Å |
| 964 | G | 82.1 | Confident | 89 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 115.7 | 160.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V994 T995 | G964-V994 PolarHBondContact N-O 3.05Å; G964-T995 CarbonylContact C-O 3.53Å; G964-T995 VanDerWaalsContact CA-O 3.27Å; G964-T995 WeakPolarHBondContact CA-O 3.11Å |
| 965 | S | 73.7 | Confident | 89 | Confident | 113 Ų | 113 | 36.7 Ų | 36.7 | 79% | 0.79 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -84.2 | -12.7 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 966 | Q | 77.3 | Confident | 89 | Confident | 133 Ų | 133 | 34.8 Ų | 34.8 | 62% | 0.621 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -116.4 | 64.1 | -177 | -66.2 | -158 | -3.9 | 0 | 0 | 112.8 | R935 | R935-Q966 PolarHBondContact NE-O 2.99Å; R935-Q966 PolarHBondContact NH2-O 3.26Å |
| 967 | V | 86.6 | Confident | 88.6 | Confident | 43 Ų | 43 | 35.1 Ų | 35.1 | 26% | 0.261 | 21% | 0.208 | S | C | . | . | trans | -86.8 | 159.3 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | D933 S962 E969 L972 | D933-V967 HydrophobicContact CB-CG1 4.17Å; D933-V967 CarbonylContact O-C 3.57Å; D933-V967 WeakPolarHBondContact O-CA 3.4Å; D933-V967 WeakPolarHBondContact O-CB 3.45Å; S962-V967 WeakPolarHBondContact OG-CG1 3.3Å; V967-E969 PolarHBondContact O-N 2.93Å; V967-L972 HydrophobicContact CB-CD1 3.68Å; V967-L972 HydrophobicContact CG1-CD1 4.12Å; V967-L972 HydrophobicContact CG2-CD1 3.83Å | ||
| 968 | N | 88.6 | Confident | 88 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | trans | -91.2 | 90.1 | 164.6 | -174 | -37.2 | 0 | 0 | 0 | 109.5 | D933 R935 A970 N971 L972 | D933-N968 PolarHBondContact O-N 3.01Å; R935-N968 HydrophobicContact CG-CB 4.17Å; N968-A970 VanDerWaalsContact C-N 3.31Å; N968-A970 PolarHBondContact O-N 3.01Å; N968-A970 PolarHBondContact OD1-N 3.06Å; N968-N971 HydrophobicContact CB-CB 4.23Å; N968-N971 PolarHBondContact ND2-ND2 3.15Å; N968-N971 PolarHBondContact O-N 3.34Å; N968-N971 PolarHBondContact OD1-N 3.3Å; N968-N971 VanDerWaalsContact OD1-N 3.08Å; N968-L972 WeakPolarHBondContact O-CG 3.47Å; N968-L972 PolarHBondContact O-N 2.03Å | ||
| 969 | E | 86 | Confident | 86.7 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -37.2 | -173.9 | -169.3 | 61.5 | -161.9 | 0 | 0 | 113.1 | V967 N971 L972 L973 R993 | V967-E969 PolarHBondContact O-N 2.93Å; E969-N971 PolarHBondContact O-N 3.05Å; E969-L972 PolarHBondContact O-N 3.18Å; E969-L973 HydrophobicContact CG-CD1 4.19Å; E969-L973 HydrophobicContact CG-CG 4.49Å; E969-L973 WeakPolarHBondContact O-CB 3.21Å; E969-L973 VanDerWaalsContact O-CG 3.28Å; E969-L973 WeakPolarHBondContact O-CG 3.18Å; E969-L973 PolarHBondContact O-N 3.48Å; E969-R993 IonicContact OE1-CZ 2.77Å; E969-R993 IonicContact OE1-NE 2.9Å; E969-R993 IonicContact OE1-NH2 3.98Å; E969-R993 PolarHBondContact OE1-NH2 3.21Å; E969-R993 IonicContact OE2-NE 3.28Å; E969-R993 IonicContact OE2-NH2 3.23Å |
| 970 | A | 86.3 | Confident | 85.4 | Confident | 63 Ų | 63 | 44.8 Ų | 44.8 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N968 T974 | N968-A970 VanDerWaalsContact C-N 3.31Å; N968-A970 PolarHBondContact O-N 3.01Å; N968-A970 PolarHBondContact OD1-N 3.06Å; A970-T974 PolarHBondContact O-N 3.39Å; A970-T974 PolarHBondContact O-OG1 3.35Å |
| 971 | N | 90 | Very high | 83.6 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 175.7 | -73.2 | -8.2 | 0 | 0 | 0 | 112 | G934 V939 L944 N968 E969 T974 L975 | G934-N971 WeakPolarHBondContact O-CB 3.38Å; G934-N971 PolarHBondContact O-ND2 3.06Å; V939-N971 WeakPolarHBondContact CG1-ND2 3.49Å; L944-N971 HydrophobicContact CD2-CB 3.66Å; N968-N971 HydrophobicContact CB-CB 4.23Å; N968-N971 PolarHBondContact ND2-ND2 3.15Å; N968-N971 PolarHBondContact O-N 3.34Å; N968-N971 PolarHBondContact OD1-N 3.3Å; N968-N971 VanDerWaalsContact OD1-N 3.08Å; E969-N971 PolarHBondContact O-N 3.05Å; N971-T974 WeakPolarHBondContact O-CB 3.18Å; N971-T974 PolarHBondContact O-N 2.62Å; N971-L975 WeakPolarHBondContact O-CG 3.19Å; N971-L975 PolarHBondContact O-N 3.42Å |
| 972 | L | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175 | -74.3 | -179.1 | 0 | 0 | 0 | 111.7 | V960 S962 V967 N968 E969 T974 L975 V976 L991 | V960-L972 HydrophobicContact CG1-CD2 3.94Å; S962-L972 WeakPolarHBondContact OG-CD1 3.49Å; V967-L972 HydrophobicContact CB-CD1 3.68Å; V967-L972 HydrophobicContact CG1-CD1 4.12Å; V967-L972 HydrophobicContact CG2-CD1 3.83Å; N968-L972 WeakPolarHBondContact O-CG 3.47Å; N968-L972 PolarHBondContact O-N 2.03Å; E969-L972 PolarHBondContact O-N 3.18Å; L972-T974 VanDerWaalsContact C-N 3.27Å; L972-T974 PolarHBondContact O-N 3.11Å; L972-L975 HydrophobicContact CD2-CD1 4.4Å; L972-L975 WeakPolarHBondContact O-CB 3.41Å; L972-L975 PolarHBondContact O-N 3.01Å; L972-V976 WeakPolarHBondContact O-CG2 3.48Å; L972-V976 PolarHBondContact O-N 2.94Å; L972-L991 HydrophobicContact CB-CD1 4.49Å; L972-L991 HydrophobicContact CB-CD2 3.89Å; L972-L991 HydrophobicContact CD1-CD1 4.47Å; L972-L991 HydrophobicContact CD2-CD1 4.19Å |
| 973 | L | 87.3 | Confident | 80.4 | Confident | 90 Ų | 90 | 65 Ų | 65 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 175.7 | -67.7 | 172.2 | 0 | 0 | 0 | 111.8 | E969 V976 S977 | E969-L973 HydrophobicContact CG-CD1 4.19Å; E969-L973 HydrophobicContact CG-CG 4.49Å; E969-L973 WeakPolarHBondContact O-CB 3.21Å; E969-L973 VanDerWaalsContact O-CG 3.28Å; E969-L973 WeakPolarHBondContact O-CG 3.18Å; E969-L973 PolarHBondContact O-N 3.48Å; L973-V976 CarbonylContact O-C 3.53Å; L973-V976 PolarHBondContact O-N 2.95Å; L973-S977 WeakPolarHBondContact O-CB 3.28Å; L973-S977 PolarHBondContact O-N 3.14Å |
| 974 | T | 88.8 | Confident | 79.2 | Confident | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | L944 E945 A970 N971 L972 V976 S977 | L944-T974 HydrophobicContact CB-CG2 4.27Å; L944-T974 HydrophobicContact CD2-CG2 3.96Å; L944-T974 HydrophobicContact CG-CG2 3.88Å; E945-T974 HydrophobicContact CB-CG2 4.05Å; A970-T974 PolarHBondContact O-N 3.39Å; A970-T974 PolarHBondContact O-OG1 3.35Å; N971-T974 WeakPolarHBondContact O-CB 3.18Å; N971-T974 PolarHBondContact O-N 2.62Å; L972-T974 VanDerWaalsContact C-N 3.27Å; L972-T974 PolarHBondContact O-N 3.11Å; T974-V976 VanDerWaalsContact C-N 3.29Å; T974-V976 PolarHBondContact O-N 2.83Å; T974-S977 VanDerWaalsContact O-CB 3.31Å; T974-S977 WeakPolarHBondContact O-CB 3.49Å; T974-S977 PolarHBondContact O-N 2.86Å; T974-S977 PolarHBondContact O-OG 2.61Å |
| 975 | L | 90.1 | Very high | 78.6 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 176.7 | -73.6 | 167.5 | 0 | 0 | 0 | 112.1 | V904 M908 L930 L944 V948 L958 V960 N971 L972 S977 | V904-L975 HydrophobicContact CG1-CD1 4.28Å; V904-L975 HydrophobicContact CG1-CD2 3.95Å; M908-L975 HydrophobicContact CE-CD2 3.65Å; M908-L975 HydrophobicContact SD-CD2 3.82Å; L930-L975 HydrophobicContact CD2-CD2 4.46Å; L944-L975 HydrophobicContact CD1-CD2 3.83Å; L944-L975 HydrophobicContact CD1-CG 4.35Å; V948-L975 HydrophobicContact CG2-CD2 4.08Å; L958-L975 HydrophobicContact CD2-CB 4.48Å; L958-L975 HydrophobicContact CD2-CD2 4.37Å; L958-L975 WeakPolarHBondContact CD2-O 3.46Å; V960-L975 HydrophobicContact CG1-CD1 4.46Å; V960-L975 HydrophobicContact CG2-CB 3.87Å; V960-L975 HydrophobicContact CG2-CD1 4.31Å; N971-L975 WeakPolarHBondContact O-CG 3.19Å; N971-L975 PolarHBondContact O-N 3.42Å; L972-L975 HydrophobicContact CD2-CD1 4.4Å; L972-L975 WeakPolarHBondContact O-CB 3.41Å; L972-L975 PolarHBondContact O-N 3.01Å; L975-S977 PolarHBondContact O-N 3.24Å |
| 976 | V | 88.3 | Confident | 78.8 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 35.7 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | V960 L972 L973 T974 Y986 H990 L991 | V960-V976 HydrophobicContact CB-CG1 4.07Å; V960-V976 HydrophobicContact CG2-CG1 3.7Å; L972-V976 WeakPolarHBondContact O-CG2 3.48Å; L972-V976 PolarHBondContact O-N 2.94Å; L973-V976 CarbonylContact O-C 3.53Å; L973-V976 PolarHBondContact O-N 2.95Å; T974-V976 VanDerWaalsContact C-N 3.29Å; T974-V976 PolarHBondContact O-N 2.83Å; V976-Y986 VanDerWaalsContact O-CD1 3.23Å; V976-Y986 WeakPolarHBondContact O-CD1 3.22Å; V976-H990 HydrophobicContact CB-CB 4.13Å; V976-H990 HydrophobicContact CG1-CB 3.85Å; V976-L991 HydrophobicContact CB-CB 4.44Å; V976-L991 HydrophobicContact CG1-CB 3.95Å; V976-L991 HydrophobicContact CG2-CB 3.86Å; V976-L991 HydrophobicContact CG2-CD2 4.08Å |
| 977 | S | 84 | Confident | 78.9 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -9.3 | -179.8 | 70.6 | 0 | 0 | 0 | 0 | 115.3 | L973 T974 L975 G979 Q980 | L973-S977 WeakPolarHBondContact O-CB 3.28Å; L973-S977 PolarHBondContact O-N 3.14Å; T974-S977 VanDerWaalsContact O-CB 3.31Å; T974-S977 WeakPolarHBondContact O-CB 3.49Å; T974-S977 PolarHBondContact O-N 2.86Å; T974-S977 PolarHBondContact O-OG 2.61Å; L975-S977 PolarHBondContact O-N 3.24Å; S977-G979 PolarHBondContact O-N 3.44Å; S977-G979 PolarHBondContact OG-N 2.89Å; S977-Q980 WeakPolarHBondContact CB-O 3.23Å; S977-Q980 PolarHBondContact O-N 2.99Å |
| 978 | R | 79.5 | Confident | 78.3 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 18.4 | -163.5 | -65.8 | 177.5 | 167.8 | 170.8 | -3.4 | 114 | A952 E957 Y986 | A952-R978 HydrophobicContact CB-CB 4.45Å; E957-R978 IonicContact OE1-NH2 2.59Å; E957-R978 PolarHBondContact OE1-NH2 2.93Å; E957-R978 VanDerWaalsContact OE1-NH2 3.12Å; R978-Y986 HydrophobicContact CG-CD1 4.06Å; R978-Y986 HydrophobicContact CG-CE1 3.56Å; R978-Y986 HydrophobicContact CG-CE2 4.32Å; R978-Y986 PolarHBondContact NE-OH 2.97Å |
| 979 | G | 67.7 | Low | 77.9 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 35.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R949 S977 | R949-G979 PolarHBondContact NE-O 2.77Å; R949-G979 PolarHBondContact NH2-O 2.69Å; S977-G979 PolarHBondContact O-N 3.44Å; S977-G979 PolarHBondContact OG-N 2.89Å |
| 980 | Q | 68.8 | Low | 78.1 | Confident | 135 Ų | 135 | 64.7 Ų | 64.7 | 63% | 0.631 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -125.1 | 152.3 | 170.7 | -62.5 | -172.1 | 0.1 | 0 | 0 | 110.3 | S977 Q982 | S977-Q980 WeakPolarHBondContact CB-O 3.23Å; S977-Q980 PolarHBondContact O-N 2.99Å; Q980-Q982 PolarHBondContact O-N 2.91Å |
| 981 | Q | 57.9 | Low | 78.3 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 89% | 0.888 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -73.6 | 115.7 | 174.4 | -83.8 | -175.9 | -28.9 | 0 | 0 | 110.8 | ||
| 982 | Q | 58.7 | Low | 78.4 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 81% | 0.808 | 30% | 0.296 | S | S | * | . | trans | 60.3 | 60.4 | 165.2 | -62.2 | -173.9 | -17.7 | 0 | 0 | 118 | Q980 I984 | Q980-Q982 PolarHBondContact O-N 2.91Å; Q982-I984 PolarHBondContact O-N 3.36Å | ||
| 983 | D | 65.4 | Low | 78.4 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | trans | -87.6 | 85.3 | 152.3 | -170.3 | -14.6 | 0 | 0 | 0 | 110.6 | S985 Y986 G987 | D983-S985 PolarHBondContact O-N 2.85Å; D983-S985 WeakPolarHBondContact OD1-CB 3.35Å; D983-S985 PolarHBondContact OD1-N 2.91Å; D983-S985 PolarHBondContact OD1-OG 3.39Å; D983-Y986 PolarHBondContact O-N 2.7Å; D983-Y986 PolarHBondContact OD1-N 3.47Å; D983-Y986 VanDerWaalsContact OD2-CB 3.29Å; D983-Y986 WeakPolarHBondContact OD2-CB 3.32Å; D983-G987 PolarHBondContact O-N 2.95Å | ||
| 984 | I | 67.3 | Low | 78.3 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 60% | 0.595 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.2 | -34.1 | 178.2 | -62.9 | 164.9 | 0 | 0 | 0 | 111 | Q982 G987 Q988 | Q982-I984 PolarHBondContact O-N 3.36Å; I984-G987 PolarHBondContact O-N 3.49Å; I984-Q988 HydrophobicContact CG2-CG 4.48Å; I984-Q988 WeakPolarHBondContact O-CG 3.5Å; I984-Q988 PolarHBondContact O-N 2.88Å |
| 985 | S | 69.5 | Low | 78.1 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.5 | -39.3 | -176.9 | 82.8 | 0 | 0 | 0 | 0 | 112.1 | D983 | D983-S985 PolarHBondContact O-N 2.85Å; D983-S985 WeakPolarHBondContact OD1-CB 3.35Å; D983-S985 PolarHBondContact OD1-N 2.91Å; D983-S985 PolarHBondContact OD1-OG 3.39Å |
| 986 | Y | 78 | Confident | 77.9 | Confident | 16 Ų | 16 | 69 Ų | 69 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.1 | -44.7 | 174.3 | -178.7 | -97.6 | 0 | 0 | 0 | 110.6 | V976 R978 D983 Q988 R989 H990 | V976-Y986 VanDerWaalsContact O-CD1 3.23Å; V976-Y986 WeakPolarHBondContact O-CD1 3.22Å; R978-Y986 HydrophobicContact CG-CD1 4.06Å; R978-Y986 HydrophobicContact CG-CE1 3.56Å; R978-Y986 HydrophobicContact CG-CE2 4.32Å; R978-Y986 PolarHBondContact NE-OH 2.97Å; D983-Y986 PolarHBondContact O-N 2.7Å; D983-Y986 PolarHBondContact OD1-N 3.47Å; D983-Y986 VanDerWaalsContact OD2-CB 3.29Å; D983-Y986 WeakPolarHBondContact OD2-CB 3.32Å; Y986-Q988 PolarHBondContact O-N 2.95Å; Y986-R989 PolarHBondContact O-N 3.23Å; Y986-R989 VanDerWaalsContact O-N 3.16Å; Y986-H990 AromaticContact CD2-CE1 3.39Å; Y986-H990 WeakPolarHBondContact CD2-CE1 3.5Å; Y986-H990 AromaticContact CD2-ND1 3.41Å; Y986-H990 WeakPolarHBondContact CD2-ND1 3.47Å; Y986-H990 HydrophobicContact CE1-CB 4.23Å; Y986-H990 AromaticContact CE1-CG 3.83Å; Y986-H990 AromaticContact CE1-ND1 3.89Å; Y986-H990 AromaticContact CE2-CD2 3.76Å; Y986-H990 AromaticContact CE2-CE1 2.97Å; Y986-H990 WeakPolarHBondContact CE2-CE1 3.35Å; Y986-H990 AromaticContact CE2-CG 3.71Å; Y986-H990 AromaticContact CE2-ND1 3.2Å; Y986-H990 WeakPolarHBondContact CE2-ND1 3.49Å; Y986-H990 AromaticContact CE2-NE2 3.32Å; Y986-H990 VanDerWaalsContact CE2-NE2 3.32Å; Y986-H990 WeakPolarHBondContact CE2-NE2 3.07Å; Y986-H990 AromaticContact CG-ND1 3.84Å; Y986-H990 AromaticContact CZ-CD2 3.54Å; Y986-H990 AromaticContact CZ-CE1 3.58Å; Y986-H990 AromaticContact CZ-CG 3.47Å; Y986-H990 VanDerWaalsContact CZ-CG 3.47Å; Y986-H990 AromaticContact CZ-ND1 3.47Å; Y986-H990 AromaticContact CZ-NE2 3.61Å; Y986-H990 PolarHBondContact O-N 2.81Å; Y986-H990 VanDerWaalsContact O-N 3.11Å; Y986-H990 PolarHBondContact O-ND1 3.19Å; Y986-H990 PolarHBondContact OH-CD2 2.64Å |
| 987 | G | 78 | Confident | 77.9 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D983 I984 R989 H990 L991 | D983-G987 PolarHBondContact O-N 2.95Å; I984-G987 PolarHBondContact O-N 3.49Å; G987-R989 VanDerWaalsContact C-N 3.29Å; G987-R989 PolarHBondContact O-N 3.48Å; G987-H990 PolarHBondContact O-N 3.35Å; G987-L991 WeakPolarHBondContact O-CB 3.28Å; G987-L991 PolarHBondContact O-N 3.41Å |
| 988 | Q | 73.6 | Confident | 78 | Confident | 125 Ų | 125 | 72.7 Ų | 72.7 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.3 | -32.4 | 177.3 | -78.8 | 178.1 | -14.6 | 0 | 0 | 114 | I984 Y986 R1012 | I984-Q988 HydrophobicContact CG2-CG 4.48Å; I984-Q988 WeakPolarHBondContact O-CG 3.5Å; I984-Q988 PolarHBondContact O-N 2.88Å; Y986-Q988 PolarHBondContact O-N 2.95Å; Q988-R1012 PolarHBondContact O-NH1 3.24Å |
| 989 | R | 80.9 | Confident | 78.2 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -80.6 | -33.6 | 178.4 | -64.6 | -175.9 | -155.8 | 168.3 | 14.1 | 112.7 | P588 Y986 G987 R1012 | P588-R989 VanDerWaalsContact CD-NH2 3.31Å; Y986-R989 PolarHBondContact O-N 3.23Å; Y986-R989 VanDerWaalsContact O-N 3.16Å; G987-R989 VanDerWaalsContact C-N 3.29Å; G987-R989 PolarHBondContact O-N 3.48Å; R989-R1012 VanDerWaalsContact O-CD 3.24Å; R989-R1012 WeakPolarHBondContact O-CD 3.3Å; R989-R1012 PolarHBondContact O-NH1 3.15Å |
| 990 | H | 89.5 | Confident | 79 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 6% | 0.06 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -97.6 | -17.5 | -169.9 | -67.6 | 74.5 | 0 | 0 | 0 | 114.4 | E957 L958 F959 V960 V976 Y986 G987 | E957-H990 IonicContact OE1-NE2 2.71Å; L958-H990 PolarHBondContact O-CD2 2.89Å; F959-H990 CarbonylContact C-O 3.57Å; F959-H990 WeakPolarHBondContact CA-O 3.36Å; F959-H990 HydrophobicContact CD1-CB 4.37Å; F959-H990 AromaticContact CD1-CD2 3.5Å; F959-H990 AromaticContact CE1-CD2 3.31Å; F959-H990 WeakPolarHBondContact CE1-CD2 3.4Å; F959-H990 AromaticContact CE1-NE2 3.47Å; F959-H990 WeakPolarHBondContact CE1-NE2 3.32Å; F959-H990 AromaticContact CE2-CD2 3.99Å; F959-H990 AromaticContact CG-CD2 3.92Å; F959-H990 AromaticContact CZ-CD2 3.56Å; F959-H990 AromaticContact CZ-NE2 3.45Å; F959-H990 WeakPolarHBondContact CZ-NE2 3.15Å; V960-H990 PolarHBondContact N-O 3.01Å; V976-H990 HydrophobicContact CB-CB 4.13Å; V976-H990 HydrophobicContact CG1-CB 3.85Å; Y986-H990 AromaticContact CD2-CE1 3.39Å; Y986-H990 WeakPolarHBondContact CD2-CE1 3.5Å; Y986-H990 AromaticContact CD2-ND1 3.41Å; Y986-H990 WeakPolarHBondContact CD2-ND1 3.47Å; Y986-H990 HydrophobicContact CE1-CB 4.23Å; Y986-H990 AromaticContact CE1-CG 3.83Å; Y986-H990 AromaticContact CE1-ND1 3.89Å; Y986-H990 AromaticContact CE2-CD2 3.76Å; Y986-H990 AromaticContact CE2-CE1 2.97Å; Y986-H990 WeakPolarHBondContact CE2-CE1 3.35Å; Y986-H990 AromaticContact CE2-CG 3.71Å; Y986-H990 AromaticContact CE2-ND1 3.2Å; Y986-H990 WeakPolarHBondContact CE2-ND1 3.49Å; Y986-H990 AromaticContact CE2-NE2 3.32Å; Y986-H990 VanDerWaalsContact CE2-NE2 3.32Å; Y986-H990 WeakPolarHBondContact CE2-NE2 3.07Å; Y986-H990 AromaticContact CG-ND1 3.84Å; Y986-H990 AromaticContact CZ-CD2 3.54Å; Y986-H990 AromaticContact CZ-CE1 3.58Å; Y986-H990 AromaticContact CZ-CG 3.47Å; Y986-H990 VanDerWaalsContact CZ-CG 3.47Å; Y986-H990 AromaticContact CZ-ND1 3.47Å; Y986-H990 AromaticContact CZ-NE2 3.61Å; Y986-H990 PolarHBondContact O-N 2.81Å; Y986-H990 VanDerWaalsContact O-N 3.11Å; Y986-H990 PolarHBondContact O-ND1 3.19Å; Y986-H990 PolarHBondContact OH-CD2 2.64Å; G987-H990 PolarHBondContact O-N 3.35Å |
| 991 | L | 91.7 | Very high | 79.6 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.2 | 178 | -179.6 | 54 | 0 | 0 | 0 | 111.6 | V960 L972 V976 G987 R993 | V960-L991 HydrophobicContact CB-CD1 3.84Å; V960-L991 HydrophobicContact CG1-CD1 3.76Å; L972-L991 HydrophobicContact CB-CD1 4.49Å; L972-L991 HydrophobicContact CB-CD2 3.89Å; L972-L991 HydrophobicContact CD1-CD1 4.47Å; L972-L991 HydrophobicContact CD2-CD1 4.19Å; V976-L991 HydrophobicContact CB-CB 4.44Å; V976-L991 HydrophobicContact CG1-CB 3.95Å; V976-L991 HydrophobicContact CG2-CB 3.86Å; V976-L991 HydrophobicContact CG2-CD2 4.08Å; G987-L991 WeakPolarHBondContact O-CB 3.28Å; G987-L991 PolarHBondContact O-N 3.41Å; L991-R993 HydrophobicContact CG-CG 4.33Å |
| 992 | F | 91.6 | Very high | 80.3 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.4 | 173.3 | -48.8 | -89.9 | 0 | 0 | 0 | 109.4 | F959 V960 V961 S962 F1005 V1009 R1012 | F959-F992 HydrophobicContact CB-CE2 4.21Å; F959-F992 AromaticContact CD1-CE2 3.96Å; F959-F992 HydrophobicContact CD1-CE2 3.96Å; F959-F992 HydrophobicContact CD1-CZ 4.23Å; V960-F992 WeakPolarHBondContact O-CD2 3.35Å; V960-F992 PolarHBondContact O-N 3.38Å; V961-F992 HydrophobicContact CG2-CD2 4.13Å; S962-F992 PolarHBondContact N-O 2.69Å; F992-F1005 HydrophobicContact CB-CE2 3.98Å; F992-F1005 HydrophobicContact CB-CZ 3.68Å; F992-V1009 HydrophobicContact CB-CG2 4.21Å; F992-V1009 HydrophobicContact CD1-CG2 3.66Å; F992-V1009 HydrophobicContact CD2-CG1 4.47Å; F992-V1009 HydrophobicContact CD2-CG2 4.07Å; F992-V1009 HydrophobicContact CE1-CB 4.34Å; F992-V1009 HydrophobicContact CE1-CG2 3.96Å; F992-V1009 HydrophobicContact CE2-CG1 4.21Å; F992-V1009 HydrophobicContact CE2-CG2 4.37Å; F992-V1009 HydrophobicContact CG-CG2 3.72Å; F992-V1009 HydrophobicContact CZ-CB 4.41Å; F992-V1009 HydrophobicContact CZ-CG1 4.37Å; F992-V1009 HydrophobicContact CZ-CG2 4.32Å; F992-R1012 HydrophobicContact CE1-CB 3.96Å; F992-R1012 HydrophobicContact CE1-CG 4.1Å; F992-R1012 HydrophobicContact CZ-CB 3.71Å; F992-R1012 HydrophobicContact CZ-CG 4.33Å |
| 993 | R | 89.1 | Confident | 80.7 | Confident | 117 Ų | 117 | 57 Ų | 57 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.7 | -179.8 | -61.9 | -179.4 | -172.8 | 77 | -14.2 | 110.3 | S962 E969 L991 | S962-R993 WeakPolarHBondContact O-CA 3.22Å; E969-R993 IonicContact OE1-CZ 2.77Å; E969-R993 IonicContact OE1-NE 2.9Å; E969-R993 IonicContact OE1-NH2 3.98Å; E969-R993 PolarHBondContact OE1-NH2 3.21Å; E969-R993 IonicContact OE2-NE 3.28Å; E969-R993 IonicContact OE2-NH2 3.23Å; L991-R993 HydrophobicContact CG-CG 4.33Å |
| 994 | V | 86.4 | Confident | 81 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.8 | 166.8 | -73.3 | 0 | 0 | 0 | 0 | 110.5 | S962 V963 G964 D996 L1000 F1005 | S962-V994 PolarHBondContact O-N 3.44Å; V963-V994 WeakPolarHBondContact CA-O 3.5Å; V963-V994 HydrophobicContact CB-CG2 4.16Å; V963-V994 HydrophobicContact CG1-CG2 3.98Å; V963-V994 HydrophobicContact CG2-CG2 3.8Å; G964-V994 PolarHBondContact N-O 3.05Å; V994-D996 VanDerWaalsContact C-N 3.31Å; V994-D996 PolarHBondContact O-N 2.98Å; V994-L1000 HydrophobicContact CG2-CD2 3.68Å; V994-L1000 HydrophobicContact CG2-CG 4.14Å; V994-F1005 HydrophobicContact CG1-CD1 3.96Å; V994-F1005 HydrophobicContact CG1-CD2 3.8Å; V994-F1005 HydrophobicContact CG1-CE1 3.8Å; V994-F1005 HydrophobicContact CG1-CE2 3.6Å; V994-F1005 HydrophobicContact CG1-CG 3.98Å; V994-F1005 HydrophobicContact CG1-CZ 3.6Å |
| 995 | T | 84.2 | Confident | 81.8 | Confident | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -67.4 | -28.5 | -176.9 | 41.1 | 0 | 0 | 0 | 0 | 114.1 | G964 | G964-T995 CarbonylContact C-O 3.53Å; G964-T995 VanDerWaalsContact CA-O 3.27Å; G964-T995 WeakPolarHBondContact CA-O 3.11Å |
| 996 | D | 86.5 | Confident | 82.6 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -160.4 | 162.7 | -169.1 | 62.9 | 94 | 0 | 0 | 0 | 111 | V963 V994 P998 S999 | V963-D996 VanDerWaalsContact CG1-C 3.46Å; V994-D996 VanDerWaalsContact C-N 3.31Å; V994-D996 PolarHBondContact O-N 2.98Å; D996-P998 WeakPolarHBondContact OD1-CB 3.44Å; D996-P998 WeakPolarHBondContact OD1-CD 3.43Å; D996-S999 WeakPolarHBondContact O-CB 3.47Å; D996-S999 PolarHBondContact O-N 2.92Å; D996-S999 PolarHBondContact OD1-N 3.41Å; D996-S999 PolarHBondContact OD1-OG 2.86Å; D996-S999 VanDerWaalsContact OD1-OG 3.1Å; D996-S999 WeakPolarHBondContact OD2-CB 3.19Å; D996-S999 PolarHBondContact OD2-OG 3.22Å |
| 997 | Y | 88.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 14% | 0.137 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -65.2 | -47.1 | -179.6 | -77.4 | -92.4 | 0 | 0 | 0 | 113.7 | V833 N837 I840 S841 V963 S999 L1000 | V833-Y997 HydrophobicContact CG1-CE1 3.93Å; N837-Y997 HydrophobicContact CB-CD1 3.66Å; N837-Y997 HydrophobicContact CB-CD2 3.56Å; N837-Y997 HydrophobicContact CB-CE1 3.93Å; N837-Y997 HydrophobicContact CB-CE2 3.85Å; N837-Y997 HydrophobicContact CB-CG 3.47Å; N837-Y997 VanDerWaalsContact CB-CG 3.47Å; I840-Y997 VanDerWaalsContact CG2-O 3.25Å; I840-Y997 WeakPolarHBondContact CG2-O 3.48Å; S841-Y997 WeakPolarHBondContact OG-CE1 3.22Å; V963-Y997 HydrophobicContact CB-CD2 4.44Å; V963-Y997 HydrophobicContact CB-CE1 4.17Å; V963-Y997 HydrophobicContact CB-CE2 4.04Å; V963-Y997 HydrophobicContact CG1-CD1 3.91Å; V963-Y997 HydrophobicContact CG1-CD2 3.44Å; V963-Y997 VanDerWaalsContact CG1-CD2 3.44Å; V963-Y997 HydrophobicContact CG1-CE1 3.96Å; V963-Y997 HydrophobicContact CG1-CE2 3.51Å; V963-Y997 HydrophobicContact CG1-CG 3.64Å; V963-Y997 HydrophobicContact CG2-CE1 4.24Å; Y997-S999 PolarHBondContact O-N 2.98Å; Y997-S999 VanDerWaalsContact O-N 3.15Å; Y997-L1000 HydrophobicContact CD1-CD1 3.9Å; Y997-L1000 WeakPolarHBondContact O-CB 3.49Å; Y997-L1000 WeakPolarHBondContact O-CG 3.19Å; Y997-L1000 PolarHBondContact O-N 2.89Å |
| 998 | P | 84.9 | Confident | 83.1 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -50.6 | -36.3 | 173.9 | -29.2 | 34.1 | 0 | 0 | 0 | 114.2 | I840 D996 L1000 L1001 R1002 | I840-P998 HydrophobicContact CD1-CG 4.21Å; D996-P998 WeakPolarHBondContact OD1-CB 3.44Å; D996-P998 WeakPolarHBondContact OD1-CD 3.43Å; P998-L1000 PolarHBondContact O-N 3.17Å; P998-L1001 PolarHBondContact O-N 3.04Å; P998-R1002 PolarHBondContact O-N 3.47Å |
| 999 | S | 83.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -63.6 | -16.9 | 175.9 | -69.4 | 0 | 0 | 0 | 0 | 114.8 | D996 Y997 L1001 | D996-S999 WeakPolarHBondContact O-CB 3.47Å; D996-S999 PolarHBondContact O-N 2.92Å; D996-S999 PolarHBondContact OD1-N 3.41Å; D996-S999 PolarHBondContact OD1-OG 2.86Å; D996-S999 VanDerWaalsContact OD1-OG 3.1Å; D996-S999 WeakPolarHBondContact OD2-CB 3.19Å; D996-S999 PolarHBondContact OD2-OG 3.22Å; Y997-S999 PolarHBondContact O-N 2.98Å; Y997-S999 VanDerWaalsContact O-N 3.15Å; S999-L1001 PolarHBondContact O-N 3.35Å |
| 1000 | L | 84.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -59.1 | -37.3 | 166.7 | -67.4 | 173.5 | 0 | 0 | 0 | 112.1 | I840 F844 F931 V961 V963 V994 Y997 P998 F1005 | I840-L1000 HydrophobicContact CG2-CD1 4.38Å; F844-L1000 HydrophobicContact CB-CB 4.26Å; F844-L1000 HydrophobicContact CB-CD1 4.5Å; F844-L1000 HydrophobicContact CD2-CB 3.73Å; F844-L1000 HydrophobicContact CD2-CD2 4.44Å; F844-L1000 WeakPolarHBondContact CD2-O 3.25Å; F844-L1000 HydrophobicContact CE1-CD2 4.45Å; F844-L1000 HydrophobicContact CE2-CB 4.21Å; F844-L1000 HydrophobicContact CE2-CD2 4.31Å; F844-L1000 VanDerWaalsContact CE2-O 3.25Å; F844-L1000 WeakPolarHBondContact CE2-O 3.29Å; F844-L1000 HydrophobicContact CG-CB 4.06Å; F844-L1000 HydrophobicContact CZ-CD2 4.31Å; F931-L1000 HydrophobicContact CE1-CD1 4.26Å; V961-L1000 HydrophobicContact CG1-CD2 3.96Å; V963-L1000 HydrophobicContact CG2-CD1 4.21Å; V963-L1000 HydrophobicContact CG2-CD2 3.97Å; V963-L1000 HydrophobicContact CG2-CG 4.31Å; V994-L1000 HydrophobicContact CG2-CD2 3.68Å; V994-L1000 HydrophobicContact CG2-CG 4.14Å; Y997-L1000 HydrophobicContact CD1-CD1 3.9Å; Y997-L1000 WeakPolarHBondContact O-CB 3.49Å; Y997-L1000 WeakPolarHBondContact O-CG 3.19Å; Y997-L1000 PolarHBondContact O-N 2.89Å; P998-L1000 PolarHBondContact O-N 3.17Å; L1000-F1005 HydrophobicContact CD2-CD1 4.08Å; L1000-F1005 HydrophobicContact CD2-CE1 3.59Å |
| 1001 | L | 82.6 | Confident | 84.1 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -8.4 | -173.6 | -60.9 | -177.7 | 0 | 0 | 0 | 113.8 | I840 T843 F844 R847 P998 S999 | I840-L1001 HydrophobicContact CG2-CD1 3.86Å; I840-L1001 HydrophobicContact CG2-CG 3.96Å; T843-L1001 HydrophobicContact CG2-CD1 3.8Å; T843-L1001 HydrophobicContact CG2-CD2 3.85Å; F844-L1001 HydrophobicContact CB-CD2 3.82Å; F844-L1001 HydrophobicContact CD2-CD2 4.39Å; R847-L1001 PolarHBondContact NH1-O 3.32Å; P998-L1001 PolarHBondContact O-N 3.04Å; S999-L1001 PolarHBondContact O-N 3.35Å |
| 1002 | R | 72.2 | Confident | 83.9 | Confident | 168 Ų | 168 | 40 Ų | 40 | 63% | 0.634 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -86 | 149.8 | 179.5 | -69.6 | 177.4 | 171.8 | -178.8 | -5.5 | 111.6 | P998 | P998-R1002 PolarHBondContact O-N 3.47Š|
| 1003 | G | 67.7 | Low | 83.8 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -143.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1004 | V | 71.8 | Confident | 83.8 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 13.3 | -177.1 | -63.2 | 0 | 0 | 0 | 0 | 114 | D597 M600 H1006 Q1007 T1008 | D597-V1004 HydrophobicContact CB-CG2 3.56Å; D597-V1004 WeakPolarHBondContact OD1-CG2 3.48Å; M600-V1004 HydrophobicContact CE-CG1 3.86Å; M600-V1004 HydrophobicContact SD-CG1 3.39Å; M600-V1004 WeakPolarHBondContact SD-CG1 3.37Å; V1004-H1006 VanDerWaalsContact C-N 3.33Å; V1004-H1006 PolarHBondContact O-N 3.37Å; V1004-Q1007 HydrophobicContact CB-CB 4.19Å; V1004-Q1007 HydrophobicContact CB-CG 4.13Å; V1004-Q1007 HydrophobicContact CG1-CG 4.48Å; V1004-Q1007 CarbonylContact O-C 3.59Å; V1004-Q1007 VanDerWaalsContact O-CA 3.27Å; V1004-Q1007 WeakPolarHBondContact O-CA 3.25Å; V1004-Q1007 WeakPolarHBondContact O-CB 3.44Å; V1004-Q1007 PolarHBondContact O-N 2.96Å; V1004-T1008 PolarHBondContact O-N 3.18Å; V1004-T1008 PolarHBondContact O-OG1 3.24Å |
| 1005 | F | 83.2 | Confident | 83.6 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | -173.6 | -177.5 | -105.4 | 0 | 0 | 0 | 113.7 | F844 V961 F992 V994 L1000 Q1007 T1008 V1009 | F844-F1005 AromaticContact CE2-CD1 3.6Å; F844-F1005 HydrophobicContact CE2-CD1 3.6Å; F844-F1005 HydrophobicContact CE2-CE1 4.01Å; F844-F1005 AromaticContact CZ-CD1 3.81Å; F844-F1005 HydrophobicContact CZ-CD1 3.81Å; F844-F1005 AromaticContact CZ-CE1 3.76Å; F844-F1005 HydrophobicContact CZ-CE1 3.76Å; V961-F1005 HydrophobicContact CG1-CE1 4.3Å; V961-F1005 HydrophobicContact CG1-CZ 4.43Å; F992-F1005 HydrophobicContact CB-CE2 3.98Å; F992-F1005 HydrophobicContact CB-CZ 3.68Å; V994-F1005 HydrophobicContact CG1-CD1 3.96Å; V994-F1005 HydrophobicContact CG1-CD2 3.8Å; V994-F1005 HydrophobicContact CG1-CE1 3.8Å; V994-F1005 HydrophobicContact CG1-CE2 3.6Å; V994-F1005 HydrophobicContact CG1-CG 3.98Å; V994-F1005 HydrophobicContact CG1-CZ 3.6Å; L1000-F1005 HydrophobicContact CD2-CD1 4.08Å; L1000-F1005 HydrophobicContact CD2-CE1 3.59Å; F1005-Q1007 VanDerWaalsContact C-N 3.25Å; F1005-Q1007 PolarHBondContact O-N 3.37Å; F1005-T1008 WeakPolarHBondContact O-CB 3.45Å; F1005-T1008 PolarHBondContact O-N 2.92Å; F1005-V1009 HydrophobicContact CD1-CG2 4.39Å; F1005-V1009 HydrophobicContact CE1-CG2 3.91Å; F1005-V1009 HydrophobicContact CE2-CG2 4.33Å; F1005-V1009 HydrophobicContact CZ-CG2 3.89Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.36Å; F1005-V1009 PolarHBondContact O-N 3.45Å |
| 1006 | H | 85.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -31.3 | 173.9 | 72.6 | -77.5 | 0 | 0 | 0 | 113.1 | F844 L848 V1004 S1010 | F844-H1006 HydrophobicContact CD2-CB 3.82Å; F844-H1006 VanDerWaalsContact CE2-CA 3.48Å; F844-H1006 HydrophobicContact CE2-CB 3.38Å; F844-H1006 HydrophobicContact CZ-CB 4.16Å; L848-H1006 HydrophobicContact CD2-CB 4.27Å; L848-H1006 WeakPolarHBondContact CD2-O 3.42Å; V1004-H1006 VanDerWaalsContact C-N 3.33Å; V1004-H1006 PolarHBondContact O-N 3.37Å; H1006-S1010 WeakPolarHBondContact O-CB 3.37Å; H1006-S1010 PolarHBondContact O-N 2.72Å; H1006-S1010 PolarHBondContact O-OG 2.94Å |
| 1007 | Q | 83.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.7 | -47.4 | 173.5 | -48.6 | -157 | 44.2 | 0 | 0 | 110.8 | Y811 K812 V1004 F1005 V1009 S1010 R1011 | Y811-Q1007 PolarHBondContact O-NE2 3.06Å; Y811-Q1007 PolarHBondContact O-OE1 2.83Å; K812-Q1007 VanDerWaalsContact CA-OE1 3.31Å; V1004-Q1007 HydrophobicContact CB-CB 4.19Å; V1004-Q1007 HydrophobicContact CB-CG 4.13Å; V1004-Q1007 HydrophobicContact CG1-CG 4.48Å; V1004-Q1007 CarbonylContact O-C 3.59Å; V1004-Q1007 VanDerWaalsContact O-CA 3.27Å; V1004-Q1007 WeakPolarHBondContact O-CA 3.25Å; V1004-Q1007 WeakPolarHBondContact O-CB 3.44Å; V1004-Q1007 PolarHBondContact O-N 2.96Å; F1005-Q1007 VanDerWaalsContact C-N 3.25Å; F1005-Q1007 PolarHBondContact O-N 3.37Å; Q1007-V1009 PolarHBondContact O-N 2.69Å; Q1007-S1010 WeakPolarHBondContact CA-OG 3.4Å; Q1007-S1010 PolarHBondContact O-N 3.36Å; Q1007-S1010 VanDerWaalsContact O-N 3.12Å; Q1007-S1010 PolarHBondContact O-OG 3.47Å; Q1007-R1011 PolarHBondContact O-N 2.63Å |
| 1008 | T | 83.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 176.7 | -48.5 | 0 | 0 | 0 | 0 | 111.7 | V1004 F1005 R1011 R1012 | V1004-T1008 PolarHBondContact O-N 3.18Å; V1004-T1008 PolarHBondContact O-OG1 3.24Å; F1005-T1008 WeakPolarHBondContact O-CB 3.45Å; F1005-T1008 PolarHBondContact O-N 2.92Å; T1008-R1011 PolarHBondContact O-N 3.29Å; T1008-R1012 PolarHBondContact O-N 3.47Å; T1008-R1012 VanDerWaalsContact O-N 3.07Å |
| 1009 | V | 89.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -50.3 | 174.1 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | F844 L848 V961 F992 F1005 Q1007 R1011 R1012 V1013 | F844-V1009 HydrophobicContact CZ-CB 4.4Å; F844-V1009 HydrophobicContact CZ-CG2 4.11Å; L848-V1009 HydrophobicContact CD1-CG1 4.01Å; L848-V1009 HydrophobicContact CD2-CB 4.13Å; L848-V1009 HydrophobicContact CD2-CG1 4.03Å; V961-V1009 HydrophobicContact CG2-CG1 4.37Å; F992-V1009 HydrophobicContact CB-CG2 4.21Å; F992-V1009 HydrophobicContact CD1-CG2 3.66Å; F992-V1009 HydrophobicContact CD2-CG1 4.47Å; F992-V1009 HydrophobicContact CD2-CG2 4.07Å; F992-V1009 HydrophobicContact CE1-CB 4.34Å; F992-V1009 HydrophobicContact CE1-CG2 3.96Å; F992-V1009 HydrophobicContact CE2-CG1 4.21Å; F992-V1009 HydrophobicContact CE2-CG2 4.37Å; F992-V1009 HydrophobicContact CG-CG2 3.72Å; F992-V1009 HydrophobicContact CZ-CB 4.41Å; F992-V1009 HydrophobicContact CZ-CG1 4.37Å; F992-V1009 HydrophobicContact CZ-CG2 4.32Å; F1005-V1009 HydrophobicContact CD1-CG2 4.39Å; F1005-V1009 HydrophobicContact CE1-CG2 3.91Å; F1005-V1009 HydrophobicContact CE2-CG2 4.33Å; F1005-V1009 HydrophobicContact CZ-CG2 3.89Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.36Å; F1005-V1009 PolarHBondContact O-N 3.45Å; Q1007-V1009 PolarHBondContact O-N 2.69Å; V1009-R1011 VanDerWaalsContact C-N 3.32Å; V1009-R1011 PolarHBondContact O-N 2.73Å; V1009-R1012 PolarHBondContact O-N 2.88Å; V1009-V1013 HydrophobicContact CG1-CG2 4.31Å; V1009-V1013 WeakPolarHBondContact O-CB 3.47Å; V1009-V1013 VanDerWaalsContact O-CG2 3.25Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.23Å; V1009-V1013 PolarHBondContact O-N 3.04Å |
| 1010 | S | 90.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | -178.9 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | R851 F852 H1006 Q1007 S1014 | R851-S1010 PolarHBondContact NE-OG 2.85Å; R851-S1010 PolarHBondContact NH2-OG 3.3Å; F852-S1010 WeakPolarHBondContact CE1-O 3.31Å; H1006-S1010 WeakPolarHBondContact O-CB 3.37Å; H1006-S1010 PolarHBondContact O-N 2.72Å; H1006-S1010 PolarHBondContact O-OG 2.94Å; Q1007-S1010 WeakPolarHBondContact CA-OG 3.4Å; Q1007-S1010 PolarHBondContact O-N 3.36Å; Q1007-S1010 VanDerWaalsContact O-N 3.12Å; Q1007-S1010 PolarHBondContact O-OG 3.47Å; S1010-S1014 WeakPolarHBondContact O-CB 3.31Å; S1010-S1014 PolarHBondContact O-N 3.48Å; S1010-S1014 PolarHBondContact O-OG 2.84Å |
| 1011 | R | 85.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -51.4 | 179.7 | -171.9 | 165.1 | 171.5 | 152.8 | -17.5 | 110.6 | D591 E592 I815 Q1007 T1008 V1009 V1013 S1014 L1015 | D591-R1011 VanDerWaalsContact CG-NH2 3.31Å; D591-R1011 IonicContact OD1-CZ 2.9Å; D591-R1011 IonicContact OD1-NE 3.04Å; D591-R1011 PolarHBondContact OD1-NE 3.34Å; D591-R1011 IonicContact OD1-NH2 3.78Å; D591-R1011 PolarHBondContact OD1-NH2 3Å; D591-R1011 VanDerWaalsContact OD2-CD 3.28Å; D591-R1011 WeakPolarHBondContact OD2-CD 3.5Å; D591-R1011 IonicContact OD2-CZ 3.14Å; D591-R1011 IonicContact OD2-NE 3.24Å; D591-R1011 PolarHBondContact OD2-NE 2.94Å; D591-R1011 IonicContact OD2-NH2 2.7Å; D591-R1011 PolarHBondContact OD2-NH2 2.89Å; E592-R1011 IonicContact OE2-NH2 2.71Å; I815-R1011 HydrophobicContact CG2-CB 3.73Å; I815-R1011 HydrophobicContact CG2-CG 4.09Å; Q1007-R1011 PolarHBondContact O-N 2.63Å; T1008-R1011 PolarHBondContact O-N 3.29Å; V1009-R1011 VanDerWaalsContact C-N 3.32Å; V1009-R1011 PolarHBondContact O-N 2.73Å; R1011-V1013 VanDerWaalsContact C-N 3.3Å; R1011-V1013 PolarHBondContact O-N 3.19Å; R1011-S1014 WeakPolarHBondContact O-CA 3.21Å; R1011-S1014 PolarHBondContact O-N 2.73Å; R1011-S1014 PolarHBondContact O-OG 2.7Å; R1011-L1015 WeakPolarHBondContact O-CG 3.34Å; R1011-L1015 PolarHBondContact O-N 3.21Å; R1011-L1015 VanDerWaalsContact O-N 3.11Å |
| 1012 | R | 86.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 39.6 Ų | 39.6 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -37.2 | 177.2 | -70.6 | -156.9 | -163.2 | 160.6 | -7.9 | 112.9 | E594 Q988 R989 F992 T1008 V1009 S1014 L1015 | E594-R1012 IonicContact OE1-CZ 2.66Å; E594-R1012 VanDerWaalsContact OE1-CZ 3.24Å; E594-R1012 IonicContact OE1-NE 3.63Å; E594-R1012 PolarHBondContact OE1-NE 3.49Å; E594-R1012 IonicContact OE1-NH2 3.58Å; E594-R1012 PolarHBondContact OE1-NH2 2.61Å; Q988-R1012 PolarHBondContact O-NH1 3.24Å; R989-R1012 VanDerWaalsContact O-CD 3.24Å; R989-R1012 WeakPolarHBondContact O-CD 3.3Å; R989-R1012 PolarHBondContact O-NH1 3.15Å; F992-R1012 HydrophobicContact CE1-CB 3.96Å; F992-R1012 HydrophobicContact CE1-CG 4.1Å; F992-R1012 HydrophobicContact CZ-CB 3.71Å; F992-R1012 HydrophobicContact CZ-CG 4.33Å; T1008-R1012 PolarHBondContact O-N 3.47Å; T1008-R1012 VanDerWaalsContact O-N 3.07Å; V1009-R1012 PolarHBondContact O-N 2.88Å; R1012-S1014 VanDerWaalsContact C-N 3.33Å; R1012-S1014 PolarHBondContact O-N 2.79Å; R1012-L1015 PolarHBondContact O-N 3.39Å |
| 1013 | V | 90.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.4 | -31.7 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 112 | I823 F852 K927 V929 F959 V1009 R1011 | I823-V1013 HydrophobicContact CD1-CG1 4.13Å; I823-V1013 HydrophobicContact CG2-CG1 4.41Å; F852-V1013 HydrophobicContact CE1-CB 3.84Å; F852-V1013 HydrophobicContact CE1-CG1 3.71Å; F852-V1013 HydrophobicContact CE2-CG1 4.45Å; F852-V1013 HydrophobicContact CZ-CB 3.74Å; F852-V1013 HydrophobicContact CZ-CG1 3.53Å; F852-V1013 HydrophobicContact CZ-CG2 4.32Å; K927-V1013 HydrophobicContact CD-CG1 4.19Å; K927-V1013 WeakPolarHBondContact CD-O 3.49Å; K927-V1013 WeakPolarHBondContact CE-O 3.44Å; K927-V1013 PolarHBondContact NZ-O 3.15Å; V929-V1013 HydrophobicContact CG2-CG1 4.16Å; V929-V1013 HydrophobicContact CG2-CG2 3.81Å; F959-V1013 HydrophobicContact CB-CG2 4.29Å; F959-V1013 HydrophobicContact CD1-CG2 3.84Å; F959-V1013 HydrophobicContact CD2-CG2 4.07Å; F959-V1013 HydrophobicContact CE1-CG2 4.16Å; F959-V1013 HydrophobicContact CE2-CG2 4.39Å; F959-V1013 HydrophobicContact CG-CG2 3.79Å; F959-V1013 HydrophobicContact CZ-CG2 4.44Å; V1009-V1013 HydrophobicContact CG1-CG2 4.31Å; V1009-V1013 WeakPolarHBondContact O-CB 3.47Å; V1009-V1013 VanDerWaalsContact O-CG2 3.25Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.23Å; V1009-V1013 PolarHBondContact O-N 3.04Å; R1011-V1013 VanDerWaalsContact C-N 3.3Å; R1011-V1013 PolarHBondContact O-N 3.19Å |
| 1014 | S | 87.8 | Confident | 83 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75.3 | -23.8 | 176.7 | 72.5 | 0 | 0 | 0 | 0 | 115.2 | S1010 R1011 R1012 | S1010-S1014 WeakPolarHBondContact O-CB 3.31Å; S1010-S1014 PolarHBondContact O-N 3.48Å; S1010-S1014 PolarHBondContact O-OG 2.84Å; R1011-S1014 WeakPolarHBondContact O-CA 3.21Å; R1011-S1014 PolarHBondContact O-N 2.73Å; R1011-S1014 PolarHBondContact O-OG 2.7Å; R1012-S1014 VanDerWaalsContact C-N 3.33Å; R1012-S1014 PolarHBondContact O-N 2.79Å |
| 1015 | L | 82.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 31 Ų | 31 | 47% | 0.471 | 17% | 0.166 | S | C | . | . | trans | -62.4 | 151.5 | -179.6 | -68.7 | 175.5 | 0 | 0 | 0 | 112.3 | K927 R1011 R1012 | K927-L1015 PolarHBondContact NZ-O 3.09Å; R1011-L1015 WeakPolarHBondContact O-CG 3.34Å; R1011-L1015 PolarHBondContact O-N 3.21Å; R1011-L1015 VanDerWaalsContact O-N 3.11Å; R1012-L1015 PolarHBondContact O-N 3.39Å | ||
| 1016 | S | 58.6 | Low | 84 | Confident | 111 Ų | 111 | 31.8 Ų | 31.8 | 78% | 0.776 | 17% | 0.172 | S | C | * | . | trans | -89.6 | 0 | -171 | -50.4 | 0 | 0 | 0 | 0 | 114.5 | S818 | S818-S1016 PolarHBondContact OG-OG 2.68Å; S818-S1016 VanDerWaalsContact OG-OG 3.14Å |
Retrieved 1,016 of 1,016 residues in 218.1 ms
(Link to these results)