| 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 | 41.2 | Very low | 61.4 | Low | 244 Ų | 244 | 124.6 Ų | 124.6 | 100% | 1.202 | 65% | 0.652 | S | S | * | * | 0 | 115.4 | 0 | -61.9 | -174.6 | -166.5 | 0 | 0 | 106.2 | |||||
| 2 | Q | 44.1 | Very low | 62.6 | Low | 199 Ų | 199 | 128.5 Ų | 128.5 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | trans | -116.1 | 118.6 | -173.3 | -135.1 | 150.9 | 31.5 | 0 | 0 | 107.9 | ||||
| 3 | E | 48.5 | Very low | 63.8 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -60.2 | 124.1 | -167.5 | -74.6 | -67.1 | 148.4 | 0 | 0 | 113.2 | D5 | E3-D5 PolarHBondContact O-N 3.48Š| ||
| 4 | P | 57.9 | Low | 64.7 | Low | 101 Ų | 101 | 129.9 Ų | 129.9 | 66% | 0.656 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -10.1 | -179.5 | 29.6 | -34.3 | 0 | 0 | 0 | 114.1 | C6 | P4-C6 PolarHBondContact O-N 3.33Š|
| 5 | D | 57.1 | Low | 65.4 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.6 | -25.2 | -172 | -155.4 | 27.7 | 0 | 0 | 0 | 113.3 | E3 D7 A9 | E3-D5 PolarHBondContact O-N 3.48Å; D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 3.37Å; D5-A9 PolarHBondContact O-N 3.39Å |
| 6 | C | 60.5 | Low | 66 | Low | 76 Ų | 76 | 124.8 Ų | 124.8 | 51% | 0.514 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67 | -29.9 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | P4 K10 | P4-C6 PolarHBondContact O-N 3.33Å; C6-K10 VanDerWaalsContact O-CG 3.31Å; C6-K10 WeakPolarHBondContact O-CG 3.4Å; C6-K10 PolarHBondContact O-N 3.09Å |
| 7 | D | 68.5 | Low | 66.4 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -81.1 | -38 | -176.6 | -152.1 | 23.5 | 0 | 0 | 0 | 111.7 | D5 A9 K10 Q11 | D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 3.37Å; D7-A9 PolarHBondContact O-N 3.33Å; D7-K10 PolarHBondContact O-N 3.4Å; D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.21Å |
| 8 | L | 70.9 | Confident | 66.4 | Low | 83 Ų | 83 | 123.4 Ų | 123.4 | 44% | 0.435 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -38.6 | 175.4 | -121.4 | 148.3 | 0 | 0 | 0 | 111.9 | Q11 R12 | L8-Q11 PolarHBondContact O-N 3.45Å; L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.98Å |
| 9 | A | 74.3 | Confident | 66.3 | Low | 58 Ų | 58 | 121.3 Ų | 121.3 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.9 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D5 D7 K13 | D5-A9 PolarHBondContact O-N 3.39Å; D7-A9 PolarHBondContact O-N 3.33Å; A9-K13 WeakPolarHBondContact O-CB 3.24Å; A9-K13 PolarHBondContact O-N 3.46Å |
| 10 | K | 76.4 | Confident | 66.2 | Low | 129 Ų | 129 | 118.7 Ų | 118.7 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.4 | -45.5 | 175.1 | -76.8 | 173.5 | -176.9 | 177.1 | 0 | 111.8 | C6 D7 R12 K13 Q14 | C6-K10 VanDerWaalsContact O-CG 3.31Å; C6-K10 WeakPolarHBondContact O-CG 3.4Å; C6-K10 PolarHBondContact O-N 3.09Å; D7-K10 PolarHBondContact O-N 3.4Å; K10-R12 PolarHBondContact O-N 3.44Å; K10-K13 PolarHBondContact O-N 3.37Å; K10-Q14 WeakPolarHBondContact O-CB 3.32Å; K10-Q14 PolarHBondContact O-N 3.3Å |
| 11 | Q | 75.5 | Confident | 66 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 176.7 | -73.7 | -179.4 | -2 | 0 | 0 | 112.2 | D7 L8 K13 Q14 L15 | D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.21Å; L8-Q11 PolarHBondContact O-N 3.45Å; Q11-K13 PolarHBondContact O-N 2.92Å; Q11-Q14 PolarHBondContact O-N 2.93Å; Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 2.95Å |
| 12 | R | 75.8 | Confident | 66.9 | Low | 171 Ų | 171 | 109.6 Ų | 109.6 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.1 | -43.2 | 175.9 | -75.2 | 173.8 | 177.2 | -177.4 | 1.5 | 111.8 | L8 K10 Q14 L15 V16 | L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.98Å; K10-R12 PolarHBondContact O-N 3.44Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 3.46Å; R12-L15 PolarHBondContact O-N 2.94Å; R12-V16 WeakPolarHBondContact O-CB 3.42Å; R12-V16 VanDerWaalsContact O-CG2 3.24Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.94Å |
| 13 | K | 78.1 | Confident | 67.5 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 177.5 | -171 | 177.5 | 179.8 | -178.9 | 0 | 111.8 | A9 K10 Q11 V16 Q17 | A9-K13 WeakPolarHBondContact O-CB 3.24Å; A9-K13 PolarHBondContact O-N 3.46Å; K10-K13 PolarHBondContact O-N 3.37Å; Q11-K13 PolarHBondContact O-N 2.92Å; K13-V16 PolarHBondContact O-N 3.33Å; K13-Q17 VanDerWaalsContact O-CB 3.32Å; K13-Q17 WeakPolarHBondContact O-CB 3.3Å; K13-Q17 PolarHBondContact O-N 3.5Å |
| 14 | Q | 77.1 | Confident | 67.6 | Low | 120 Ų | 120 | 110.2 Ų | 110.2 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 178.8 | -157.3 | 168.9 | 12 | 0 | 0 | 111.6 | K10 Q11 R12 Q17 E18 | K10-Q14 WeakPolarHBondContact O-CB 3.32Å; K10-Q14 PolarHBondContact O-N 3.3Å; Q11-Q14 PolarHBondContact O-N 2.93Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 3.46Å; Q14-Q17 PolarHBondContact O-N 3.01Å; Q14-E18 WeakPolarHBondContact O-CG 3.5Å; Q14-E18 PolarHBondContact O-N 3.47Å |
| 15 | L | 75.9 | Confident | 67.6 | Low | 96 Ų | 96 | 109 Ų | 109 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -41.2 | 175.2 | -174.8 | 143.5 | 0 | 0 | 0 | 112.4 | Q11 R12 Q17 E18 L19 | Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 2.95Å; R12-L15 PolarHBondContact O-N 2.94Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-E18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CD2-CD1 3.71Å; L15-L19 HydrophobicContact CD2-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.97Å |
| 16 | V | 75.1 | Confident | 67.4 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -40.2 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | R12 K13 L19 C20 | R12-V16 WeakPolarHBondContact O-CB 3.42Å; R12-V16 VanDerWaalsContact O-CG2 3.24Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.94Å; K13-V16 PolarHBondContact O-N 3.33Å; V16-L19 PolarHBondContact O-N 3.49Å; V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 PolarHBondContact O-SG 3.5Å |
| 17 | Q | 72.2 | Confident | 67.1 | Low | 121 Ų | 121 | 114.3 Ų | 114.3 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -44.8 | 176.6 | -174.3 | 173.4 | 2.1 | 0 | 0 | 111.8 | K13 Q14 L15 L19 C20 M21 | K13-Q17 VanDerWaalsContact O-CB 3.32Å; K13-Q17 WeakPolarHBondContact O-CB 3.3Å; K13-Q17 PolarHBondContact O-N 3.5Å; Q14-Q17 PolarHBondContact O-N 3.01Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.26Å; Q17-C20 PolarHBondContact O-N 2.94Å; Q17-M21 WeakPolarHBondContact O-CG 3.17Å; Q17-M21 PolarHBondContact O-N 3.21Å; Q17-M21 VanDerWaalsContact O-N 3.09Å |
| 18 | E | 67 | Low | 66.5 | Low | 105 Ų | 105 | 117.9 Ų | 117.9 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.1 | -43.1 | 174 | -77.6 | -179.3 | 173.6 | 0 | 0 | 112.3 | Q14 L15 C20 M21 E22 | Q14-E18 WeakPolarHBondContact O-CG 3.5Å; Q14-E18 PolarHBondContact O-N 3.47Å; L15-E18 PolarHBondContact O-N 3.42Å; E18-C20 VanDerWaalsContact C-N 3.33Å; E18-C20 PolarHBondContact O-N 3.27Å; E18-M21 PolarHBondContact O-N 2.97Å; E18-E22 PolarHBondContact O-N 3.35Å; E18-E22 VanDerWaalsContact O-N 3.14Å |
| 19 | L | 64.3 | Low | 66 | Low | 83 Ų | 83 | 120.6 Ų | 120.6 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.5 | -31.9 | 176.7 | -71.6 | 173.2 | 0 | 0 | 0 | 113.2 | L15 V16 Q17 | L15-L19 HydrophobicContact CD2-CD1 3.71Å; L15-L19 HydrophobicContact CD2-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.97Å; V16-L19 PolarHBondContact O-N 3.49Å; Q17-L19 PolarHBondContact O-N 3.26Å |
| 20 | C | 63 | Low | 65.6 | Low | 69 Ų | 69 | 125.3 Ų | 125.3 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.5 | -40.2 | 176.3 | -80.7 | 0 | 0 | 0 | 0 | 112 | V16 Q17 E18 E22 R23 | V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 PolarHBondContact O-SG 3.5Å; Q17-C20 PolarHBondContact O-N 2.94Å; E18-C20 VanDerWaalsContact C-N 3.33Å; E18-C20 PolarHBondContact O-N 3.27Å; C20-E22 VanDerWaalsContact C-N 3.34Å; C20-R23 PolarHBondContact O-N 3.28Å |
| 21 | M | 62.5 | Low | 65 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.4 | -33.9 | 176.1 | -59.3 | -59.7 | -97.9 | 0 | 0 | 111.6 | Q17 E18 R23 Q24 | Q17-M21 WeakPolarHBondContact O-CG 3.17Å; Q17-M21 PolarHBondContact O-N 3.21Å; Q17-M21 VanDerWaalsContact O-N 3.09Å; E18-M21 PolarHBondContact O-N 2.97Å; M21-R23 VanDerWaalsContact C-N 3.25Å; M21-R23 PolarHBondContact O-N 3.46Å; M21-Q24 PolarHBondContact O-N 3.01Å; M21-Q24 VanDerWaalsContact O-O 3.09Å |
| 22 | E | 60.1 | Low | 64.7 | Low | 81 Ų | 81 | 125.4 Ų | 125.4 | 38% | 0.379 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.3 | -26.2 | 176 | -172.1 | 174.2 | -177.7 | 0 | 0 | 113.7 | E18 C20 R51 R54 | E18-E22 PolarHBondContact O-N 3.35Å; E18-E22 VanDerWaalsContact O-N 3.14Å; C20-E22 VanDerWaalsContact C-N 3.34Å; E22-R51 WeakPolarHBondContact OE1-CD 3.39Å; E22-R51 IonicContact OE1-NE 3.71Å; E22-R54 IonicContact OE2-CZ 3.89Å; E22-R54 IonicContact OE2-NH1 3.48Å; E22-R54 PolarHBondContact OE2-NH1 2.89Å |
| 23 | R | 56.3 | Low | 64.4 | Low | 216 Ų | 216 | 127.2 Ų | 127.2 | 82% | 0.815 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.1 | -28.7 | -178.4 | -160.8 | -163.2 | -65.3 | 166.2 | -1.5 | 112.9 | C20 M21 G25 | C20-R23 PolarHBondContact O-N 3.28Å; M21-R23 VanDerWaalsContact C-N 3.25Å; M21-R23 PolarHBondContact O-N 3.46Å; R23-G25 PolarHBondContact O-N 3.47Å |
| 24 | Q | 52.3 | Low | 63.7 | Low | 147 Ų | 147 | 124.2 Ų | 124.2 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -81.4 | 90.2 | 168.7 | -90.4 | 176.1 | -36.7 | 0 | 0 | 106.5 | M21 E26 | M21-Q24 PolarHBondContact O-N 3.01Å; M21-Q24 VanDerWaalsContact O-O 3.09Å; Q24-E26 PolarHBondContact O-N 3.14Å |
| 25 | G | 55.9 | Low | 62.8 | Low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | -41.1 | 96.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R23 | R23-G25 PolarHBondContact O-N 3.47Š| ||
| 26 | E | 54.6 | Low | 62.1 | Low | 131 Ų | 131 | 124.5 Ų | 124.5 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | trans | -73.4 | 143.4 | -179.3 | -82.4 | -160 | 135.5 | 0 | 0 | 108.6 | Q24 F28 | Q24-E26 PolarHBondContact O-N 3.14Å; E26-F28 PolarHBondContact O-N 3.12Å | ||
| 27 | H | 53.8 | Low | 61.3 | Low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | -44.2 | 110.7 | 166.5 | 177.5 | 84.3 | 0 | 0 | 0 | 109.1 | D29 | H27-D29 PolarHBondContact O-N 3.2Š| ||
| 28 | F | 55.8 | Low | 60.8 | Low | 175 Ų | 175 | 126.6 Ų | 126.6 | 77% | 0.768 | 66% | 0.658 | S | S | * | * | trans | -60.9 | 104.3 | 173.3 | -66.2 | -78.6 | 0 | 0 | 0 | 107.2 | E26 L30 | E26-F28 PolarHBondContact O-N 3.12Å; F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 HydrophobicContact CB-CD2 4Å; F28-L30 WeakPolarHBondContact O-CG 3.32Å; F28-L30 PolarHBondContact O-N 3.48Å | ||
| 29 | D | 59.5 | Low | 60.7 | Low | 139 Ų | 139 | 128.1 Ų | 128.1 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -67.4 | 96.1 | 168.8 | -173.4 | -1.3 | 0 | 0 | 0 | 106.7 | H27 G31 | H27-D29 PolarHBondContact O-N 3.2Å; D29-G31 PolarHBondContact O-N 3.01Å; D29-G31 PolarHBondContact OD1-N 3.03Å; D29-G31 VanDerWaalsContact OD1-N 3.12Å | ||
| 30 | L | 66.1 | Low | 60.5 | Low | 158 Ų | 158 | 126.4 Ų | 126.4 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | trans | -71.1 | 6.7 | -179.2 | -61.3 | 178.3 | 0 | 0 | 0 | 112.1 | F28 | F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 HydrophobicContact CB-CD2 4Å; F28-L30 WeakPolarHBondContact O-CG 3.32Å; F28-L30 PolarHBondContact O-N 3.48Å | ||
| 31 | G | 63.9 | Low | 60.5 | Low | 46 Ų | 46 | 130.1 Ų | 130.1 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | trans | 65 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D29 K33 | D29-G31 PolarHBondContact O-N 3.01Å; D29-G31 PolarHBondContact OD1-N 3.03Å; D29-G31 VanDerWaalsContact OD1-N 3.12Å; G31-K33 PolarHBondContact O-N 3.42Å | ||
| 32 | K | 70.4 | Confident | 60.6 | Low | 199 Ų | 199 | 131 Ų | 131 | 87% | 0.865 | 68% | 0.679 | S | S | * | * | trans | -77 | 125.4 | 172.1 | -67 | 178.6 | -177 | 174.8 | 0 | 108.2 | I34 | K32-I34 PolarHBondContact O-N 3.17Š| ||
| 33 | K | 68.8 | Low | 61 | Low | 210 Ų | 210 | 132.5 Ų | 132.5 | 91% | 0.913 | 69% | 0.686 | S | S | * | * | trans | -61 | 106 | 173.7 | -65.2 | -174.2 | 179.5 | -174.2 | 0 | 109.1 | G31 | G31-K33 PolarHBondContact O-N 3.42Š| ||
| 34 | I | 63 | Low | 61.7 | Low | 92 Ų | 92 | 126.4 Ų | 126.4 | 47% | 0.472 | 67% | 0.667 | S | S | . | * | trans | -77.2 | 130.4 | 172.7 | 60.8 | 169.7 | 0 | 0 | 0 | 108.9 | K32 V36 Q38 V40 | K32-I34 PolarHBondContact O-N 3.17Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-Q38 HydrophobicContact CD1-CB 3.66Å; I34-V40 HydrophobicContact CD1-CG2 3.47Å; I34-V40 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 35 | S | 58.1 | Low | 62.4 | Low | 122 Ų | 122 | 121.5 Ų | 121.5 | 85% | 0.853 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -86.8 | -7.7 | -177.4 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 36 | V | 61.6 | Low | 62.9 | Low | 100 Ų | 100 | 123.1 Ų | 123.1 | 61% | 0.606 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -109.5 | 134.2 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | I34 Q38 | I34-V36 VanDerWaalsContact C-N 3.34Å; V36-Q38 VanDerWaalsContact C-N 3.31Å; V36-Q38 PolarHBondContact O-N 3.09Å |
| 37 | P | 58.8 | Low | 63.8 | Low | 129 Ų | 129 | 120.1 Ų | 120.1 | 84% | 0.838 | 62% | 0.623 | S | S | * | * | trans | -64.7 | 95.4 | 173.5 | -11.4 | 25.7 | 0 | 0 | 0 | 108.5 | ||||
| 38 | Q | 61.1 | Low | 64.3 | Low | 118 Ų | 118 | 121.9 Ų | 121.9 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | trans | -90.6 | 143.7 | 165.4 | -165.9 | 165.1 | -4.6 | 0 | 0 | 106.2 | I34 V36 V40 | I34-Q38 HydrophobicContact CD1-CB 3.66Å; V36-Q38 VanDerWaalsContact C-N 3.31Å; V36-Q38 PolarHBondContact O-N 3.09Å; Q38-V40 HydrophobicContact CB-CG2 4.08Å; Q38-V40 WeakPolarHBondContact O-CG2 3.39Å; Q38-V40 PolarHBondContact O-N 2.72Å | ||
| 39 | D | 64.5 | Low | 64.9 | Low | 138 Ų | 138 | 118.7 Ų | 118.7 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | trans | -72 | 68.9 | 174.9 | -73.8 | -34 | 0 | 0 | 0 | 109.7 | M41 | D39-M41 PolarHBondContact O-N 3.05Š| ||
| 40 | V | 61.1 | Low | 65.9 | Low | 46 Ų | 46 | 116 Ų | 116 | 28% | 0.279 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.6 | -11.2 | 178.9 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | I34 Q38 M42 E43 E44 | I34-V40 HydrophobicContact CD1-CG2 3.47Å; I34-V40 VanDerWaalsContact CD1-CG2 3.47Å; Q38-V40 HydrophobicContact CB-CG2 4.08Å; Q38-V40 WeakPolarHBondContact O-CG2 3.39Å; Q38-V40 PolarHBondContact O-N 2.72Å; V40-M42 VanDerWaalsContact C-N 3.25Å; V40-M42 PolarHBondContact O-N 3.26Å; V40-E43 PolarHBondContact O-N 3.14Å; V40-E44 HydrophobicContact CB-CG 4.43Å; V40-E44 HydrophobicContact CG1-CB 4.37Å; V40-E44 HydrophobicContact CG1-CG 3.15Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.42Å |
| 41 | M | 62.8 | Low | 66.5 | Low | 148 Ų | 148 | 116.5 Ų | 116.5 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -26.4 | -172 | -55 | -152.8 | -66.1 | 0 | 0 | 113.7 | D39 L45 | D39-M41 PolarHBondContact O-N 3.05Å; M41-L45 WeakPolarHBondContact O-CD1 3.39Å; M41-L45 WeakPolarHBondContact O-CG 3.17Å |
| 42 | M | 63.1 | Low | 67.4 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 53% | 0.532 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -102.4 | -33.6 | 177.8 | -66.5 | -59.3 | -64.2 | 0 | 0 | 113.3 | V40 L45 N46 | V40-M42 VanDerWaalsContact C-N 3.25Å; V40-M42 PolarHBondContact O-N 3.26Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-L45 HydrophobicContact SD-CD1 4.48Å; M42-N46 PolarHBondContact O-N 3.42Å; M42-N46 PolarHBondContact O-ND2 3.46Å; M42-N46 VanDerWaalsContact O-ND2 3.15Å |
| 43 | E | 68.9 | Low | 68 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -43.9 | -178.1 | -170.2 | 172.1 | 178.3 | 0 | 0 | 111.5 | V40 L45 N46 L47 | V40-E43 PolarHBondContact O-N 3.14Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.48Å; E43-N46 WeakPolarHBondContact O-CB 3.49Å; E43-N46 PolarHBondContact O-N 3.39Å; E43-L47 PolarHBondContact O-N 2.97Å |
| 44 | E | 70.8 | Confident | 68.6 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | 176.1 | -64.1 | -67.6 | 147.2 | 0 | 0 | 112.3 | V40 N46 L47 S53 | V40-E44 HydrophobicContact CB-CG 4.43Å; V40-E44 HydrophobicContact CG1-CB 4.37Å; V40-E44 HydrophobicContact CG1-CG 3.15Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.42Å; E44-N46 PolarHBondContact O-N 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.43Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-L47 WeakPolarHBondContact OE2-CD1 3.31Å; E44-S53 VanDerWaalsContact O-CB 3.29Å; E44-S53 WeakPolarHBondContact O-CB 3.43Å |
| 45 | L | 66.8 | Low | 69.7 | Low | 44 Ų | 44 | 98.7 Ų | 98.7 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -72.2 | -17 | 176.5 | -67.2 | -178.8 | 0 | 0 | 0 | 113 | M41 M42 E43 S53 Y56 Q57 | M41-L45 WeakPolarHBondContact O-CD1 3.39Å; M41-L45 WeakPolarHBondContact O-CG 3.17Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-L45 HydrophobicContact SD-CD1 4.48Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.48Å; L45-S53 VanDerWaalsContact O-CB 3.32Å; L45-S53 WeakPolarHBondContact O-CB 3.48Å; L45-Y56 HydrophobicContact CB-CD1 3.85Å; L45-Y56 HydrophobicContact CB-CE1 4.09Å; L45-Y56 HydrophobicContact CB-CG 4.47Å; L45-Y56 HydrophobicContact CD1-CD1 3.98Å; L45-Y56 HydrophobicContact CD1-CD2 4.1Å; L45-Y56 HydrophobicContact CD1-CE1 3.9Å; L45-Y56 HydrophobicContact CD1-CE2 4.03Å; L45-Y56 HydrophobicContact CD1-CG 4.07Å; L45-Y56 HydrophobicContact CD2-CD1 4.21Å; L45-Y56 HydrophobicContact CD2-CD2 4.49Å; L45-Y56 HydrophobicContact CD2-CG 3.97Å; L45-Y56 HydrophobicContact CG-CD1 4.24Å; L45-Y56 HydrophobicContact CG-CG 4.41Å; L45-Q57 PolarHBondContact O-NE2 3.05Å |
| 46 | N | 67.8 | Low | 71.1 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -89.7 | -14.6 | 174.5 | -68.8 | -33.2 | 0 | 0 | 0 | 112.9 | M42 E43 E44 R48 | M42-N46 PolarHBondContact O-N 3.42Å; M42-N46 PolarHBondContact O-ND2 3.46Å; M42-N46 VanDerWaalsContact O-ND2 3.15Å; E43-N46 WeakPolarHBondContact O-CB 3.49Å; E43-N46 PolarHBondContact O-N 3.39Å; E44-N46 PolarHBondContact O-N 3.4Å; N46-R48 PolarHBondContact O-N 2.76Å |
| 47 | L | 74 | Confident | 72.2 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 36% | 0.356 | 47% | 0.472 | S | S | . | . | trans | -63.4 | 132.3 | 175.8 | -61.3 | 177.4 | 0 | 0 | 0 | 110.2 | E43 E44 S53 | E43-L47 PolarHBondContact O-N 2.97Å; E44-L47 WeakPolarHBondContact O-CB 3.43Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-L47 WeakPolarHBondContact OE2-CD1 3.31Å; L47-S53 WeakPolarHBondContact O-CB 3.27Å; L47-S53 PolarHBondContact O-OG 2.79Å | ||
| 48 | R | 62.7 | Low | 73.5 | Confident | 210 Ų | 210 | 92.6 Ų | 92.6 | 79% | 0.792 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -86.6 | -9.9 | -178.7 | -72.9 | -177.8 | 159.2 | -157.7 | -2.5 | 114.3 | N46 | N46-R48 PolarHBondContact O-N 2.76Š|
| 49 | S | 69.3 | Low | 74.9 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 76% | 0.755 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -88.1 | -30.1 | -175.6 | 53 | 0 | 0 | 0 | 0 | 113.6 | ||
| 50 | N | 79.5 | Confident | 75.9 | Confident | 81 Ų | 81 | 91.3 Ų | 91.3 | 43% | 0.433 | 44% | 0.435 | S | S | . | . | trans | -80.7 | 137.6 | -175.9 | -170.2 | -37.7 | 0 | 0 | 0 | 111.5 | G52 S53 R54 | N50-G52 VanDerWaalsContact C-N 3.29Å; N50-G52 PolarHBondContact O-N 3.4Å; N50-G52 PolarHBondContact OD1-N 3.1Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact O-OG 3.27Å; N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.44Å | ||
| 51 | R | 79.6 | Confident | 77.1 | Confident | 169 Ų | 169 | 95.1 Ų | 95.1 | 64% | 0.638 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.7 | -38.5 | 174.8 | -174.8 | 175.1 | 176.7 | -167.2 | 0.7 | 112.5 | E22 R54 M55 | E22-R51 WeakPolarHBondContact OE1-CD 3.39Å; E22-R51 IonicContact OE1-NE 3.71Å; R51-R54 PolarHBondContact O-N 3.32Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.81Å |
| 52 | G | 82.2 | Confident | 78.4 | Confident | 32 Ų | 32 | 93.8 Ų | 93.8 | 33% | 0.33 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N50 M55 Y56 | N50-G52 VanDerWaalsContact C-N 3.29Å; N50-G52 PolarHBondContact O-N 3.4Å; N50-G52 PolarHBondContact OD1-N 3.1Å; G52-M55 PolarHBondContact O-N 3.38Å; G52-Y56 PolarHBondContact O-N 3.3Å |
| 53 | S | 82.7 | Confident | 79.5 | Confident | 1 Ų | 1 | 92.1 Ų | 92.1 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | E44 L45 L47 N50 Y56 Q57 | E44-S53 VanDerWaalsContact O-CB 3.29Å; E44-S53 WeakPolarHBondContact O-CB 3.43Å; L45-S53 VanDerWaalsContact O-CB 3.32Å; L45-S53 WeakPolarHBondContact O-CB 3.48Å; L47-S53 WeakPolarHBondContact O-CB 3.27Å; L47-S53 PolarHBondContact O-OG 2.79Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact O-OG 3.27Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.47Å; S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 2.75Å |
| 54 | R | 83.1 | Confident | 80.2 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 23% | 0.226 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 172.3 | -69.1 | 174.1 | 71.9 | -158.8 | 2.1 | 111.8 | E22 N50 R51 Y56 Q57 E58 | E22-R54 IonicContact OE2-CZ 3.89Å; E22-R54 IonicContact OE2-NH1 3.48Å; E22-R54 PolarHBondContact OE2-NH1 2.89Å; N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.44Å; R51-R54 PolarHBondContact O-N 3.32Å; R54-Y56 VanDerWaalsContact C-N 3.27Å; R54-Y56 PolarHBondContact O-N 3.17Å; R54-Q57 PolarHBondContact O-N 3.06Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.11Å |
| 55 | M | 86.3 | Confident | 80.5 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.3 | -72.1 | -163.8 | -45 | 0 | 0 | 112.1 | R51 G52 E58 R59 | R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.81Å; G52-M55 PolarHBondContact O-N 3.38Å; M55-E58 PolarHBondContact O-N 2.78Å; M55-R59 WeakPolarHBondContact O-CB 3.45Å; M55-R59 VanDerWaalsContact O-CG 3.22Å; M55-R59 WeakPolarHBondContact O-CG 3.36Å; M55-R59 PolarHBondContact O-N 3Å |
| 56 | Y | 86.1 | Confident | 80.5 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 29% | 0.29 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 175.8 | 174.6 | -103.1 | 0 | 0 | 0 | 111.6 | L45 G52 S53 R54 E58 R59 Q60 | L45-Y56 HydrophobicContact CB-CD1 3.85Å; L45-Y56 HydrophobicContact CB-CE1 4.09Å; L45-Y56 HydrophobicContact CB-CG 4.47Å; L45-Y56 HydrophobicContact CD1-CD1 3.98Å; L45-Y56 HydrophobicContact CD1-CD2 4.1Å; L45-Y56 HydrophobicContact CD1-CE1 3.9Å; L45-Y56 HydrophobicContact CD1-CE2 4.03Å; L45-Y56 HydrophobicContact CD1-CG 4.07Å; L45-Y56 HydrophobicContact CD2-CD1 4.21Å; L45-Y56 HydrophobicContact CD2-CD2 4.49Å; L45-Y56 HydrophobicContact CD2-CG 3.97Å; L45-Y56 HydrophobicContact CG-CD1 4.24Å; L45-Y56 HydrophobicContact CG-CG 4.41Å; G52-Y56 PolarHBondContact O-N 3.3Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.47Å; R54-Y56 VanDerWaalsContact C-N 3.27Å; R54-Y56 PolarHBondContact O-N 3.17Å; Y56-E58 PolarHBondContact O-N 2.54Å; Y56-R59 WeakPolarHBondContact O-CB 3.22Å; Y56-R59 PolarHBondContact O-N 3.42Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; Y56-Q60 HydrophobicContact CD1-CG 4.41Å; Y56-Q60 HydrophobicContact CE1-CG 4.02Å; Y56-Q60 HydrophobicContact CE2-CG 4.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.45Å; Y56-Q60 PolarHBondContact O-N 2.91Å; Y56-Q60 PolarHBondContact OH-NE2 3.44Å |
| 57 | Q | 84.6 | Confident | 80.5 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 27% | 0.266 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.9 | -69.9 | 173.8 | 19.1 | 0 | 0 | 112.4 | L45 S53 R54 R59 Q60 K61 | L45-Q57 PolarHBondContact O-NE2 3.05Å; S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 2.75Å; R54-Q57 PolarHBondContact O-N 3.06Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.26Å; Q57-Q60 PolarHBondContact O-N 3.46Å; Q57-K61 WeakPolarHBondContact O-CG 3.29Å; Q57-K61 PolarHBondContact O-N 3.12Å |
| 58 | E | 86.9 | Confident | 79.9 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 173.8 | -69.8 | -172.3 | 172.3 | 0 | 0 | 112.3 | R54 M55 Y56 K61 R62 | R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.11Å; M55-E58 PolarHBondContact O-N 2.78Å; Y56-E58 PolarHBondContact O-N 2.54Å; E58-K61 PolarHBondContact O-N 3.48Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.46Å; E58-R62 PolarHBondContact O-N 3.22Å; E58-R62 PolarHBondContact O-NH1 3.29Å; E58-R62 IonicContact OE2-CZ 3.9Å; E58-R62 IonicContact OE2-NH1 3.01Å; E58-R62 PolarHBondContact OE2-NH1 3.19Å; E58-R62 IonicContact OE2-NH2 3.78Å; E58-R62 PolarHBondContact OE2-NH2 2.84Å |
| 59 | R | 89.6 | Confident | 79.6 | Confident | 156 Ų | 156 | 104.4 Ų | 104.4 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 173.2 | -74.9 | 170.8 | -175.5 | -171.8 | 2.2 | 110.7 | M55 Y56 Q57 K61 R62 V63 | M55-R59 WeakPolarHBondContact O-CB 3.45Å; M55-R59 VanDerWaalsContact O-CG 3.22Å; M55-R59 WeakPolarHBondContact O-CG 3.36Å; M55-R59 PolarHBondContact O-N 3Å; Y56-R59 WeakPolarHBondContact O-CB 3.22Å; Y56-R59 PolarHBondContact O-N 3.42Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.26Å; R59-K61 PolarHBondContact O-N 3.36Å; R59-R62 WeakPolarHBondContact O-CB 3.13Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-R62 VanDerWaalsContact O-N 3.16Å; R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.12Å; R59-V63 PolarHBondContact O-N 3.47Å |
| 60 | Q | 86.1 | Confident | 78.9 | Confident | 72 Ų | 72 | 106.2 Ų | 106.2 | 34% | 0.336 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 174.4 | -68 | -58.1 | -27.3 | 0 | 0 | 111.6 | Y56 Q57 R62 V63 E64 | Y56-Q60 HydrophobicContact CD1-CG 4.41Å; Y56-Q60 HydrophobicContact CE1-CG 4.02Å; Y56-Q60 HydrophobicContact CE2-CG 4.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.45Å; Y56-Q60 PolarHBondContact O-N 2.91Å; Y56-Q60 PolarHBondContact OH-NE2 3.44Å; Q57-Q60 PolarHBondContact O-N 3.46Å; Q60-R62 VanDerWaalsContact C-N 3.31Å; Q60-R62 PolarHBondContact O-N 3.47Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 PolarHBondContact O-N 3.16Å; Q60-V63 VanDerWaalsContact O-N 3.12Å; Q60-E64 WeakPolarHBondContact O-CG 2.9Å; Q60-E64 PolarHBondContact O-N 2.89Å |
| 61 | K | 86.4 | Confident | 77.6 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -36.7 | 175.3 | -71.4 | 177.5 | -177.8 | 179.6 | 0 | 113.3 | Q57 E58 R59 R65 | Q57-K61 WeakPolarHBondContact O-CG 3.29Å; Q57-K61 PolarHBondContact O-N 3.12Å; E58-K61 PolarHBondContact O-N 3.48Å; R59-K61 PolarHBondContact O-N 3.36Å; K61-R65 VanDerWaalsContact O-CG 3.27Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.5Å |
| 62 | R | 90.1 | Very high | 76.2 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 174 | -73.1 | 175.4 | -167.2 | 103.5 | 2.1 | 109.9 | E58 R59 Q60 R65 F66 | E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.46Å; E58-R62 PolarHBondContact O-N 3.22Å; E58-R62 PolarHBondContact O-NH1 3.29Å; E58-R62 IonicContact OE2-CZ 3.9Å; E58-R62 IonicContact OE2-NH1 3.01Å; E58-R62 PolarHBondContact OE2-NH1 3.19Å; E58-R62 IonicContact OE2-NH2 3.78Å; E58-R62 PolarHBondContact OE2-NH2 2.84Å; R59-R62 WeakPolarHBondContact O-CB 3.13Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-R62 VanDerWaalsContact O-N 3.16Å; Q60-R62 VanDerWaalsContact C-N 3.31Å; Q60-R62 PolarHBondContact O-N 3.47Å; R62-R65 WeakPolarHBondContact O-CB 3.32Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-F66 HydrophobicContact CB-CE2 4.33Å; R62-F66 WeakPolarHBondContact O-CD2 3.48Å; R62-F66 PolarHBondContact O-N 3.49Å |
| 63 | V | 86.2 | Confident | 74.6 | Confident | 72 Ų | 72 | 108.1 Ų | 108.1 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.3 | -53.9 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | R59 Q60 R65 F66 T67 | R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.12Å; R59-V63 PolarHBondContact O-N 3.47Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 PolarHBondContact O-N 3.16Å; Q60-V63 VanDerWaalsContact O-N 3.12Å; V63-R65 PolarHBondContact O-N 3.36Å; V63-F66 CarbonylContact O-C 3.5Å; V63-F66 WeakPolarHBondContact O-CA 3.47Å; V63-F66 PolarHBondContact O-N 2.93Å; V63-T67 HydrophobicContact CG1-CG2 3.76Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.3Å; V63-T67 PolarHBondContact O-OG1 3.16Å |
| 64 | E | 83.7 | Confident | 72.6 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -53.3 | -40.4 | 179.2 | -73.1 | 171.7 | -177.6 | 0 | 0 | 112.6 | Q60 F66 T67 L68 | Q60-E64 WeakPolarHBondContact O-CG 2.9Å; Q60-E64 PolarHBondContact O-N 2.89Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.28Å; E64-T67 WeakPolarHBondContact CA-OG1 3.44Å; E64-T67 PolarHBondContact O-OG1 2.98Å; E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 WeakPolarHBondContact O-CD1 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.21Å |
| 65 | R | 76.3 | Confident | 70.7 | Confident | 201 Ų | 201 | 116.7 Ų | 116.7 | 76% | 0.758 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -30 | 176.3 | -73.9 | 173.3 | 179.3 | -159 | -1.3 | 113.9 | K61 R62 V63 | K61-R65 VanDerWaalsContact O-CG 3.27Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.5Å; R62-R65 WeakPolarHBondContact O-CB 3.32Å; R62-R65 PolarHBondContact O-N 3.44Å; V63-R65 PolarHBondContact O-N 3.36Å |
| 66 | F | 67.6 | Low | 68.6 | Low | 168 Ų | 168 | 120.8 Ų | 120.8 | 74% | 0.737 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -98.5 | -17 | -178.6 | -63.2 | -62 | 0 | 0 | 0 | 113.1 | R62 V63 E64 | R62-F66 HydrophobicContact CB-CE2 4.33Å; R62-F66 WeakPolarHBondContact O-CD2 3.48Å; R62-F66 PolarHBondContact O-N 3.49Å; V63-F66 CarbonylContact O-C 3.5Å; V63-F66 WeakPolarHBondContact O-CA 3.47Å; V63-F66 PolarHBondContact O-N 2.93Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.28Å |
| 67 | T | 67.8 | Low | 66.2 | Low | 91 Ų | 91 | 127.3 Ų | 127.3 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -91.3 | -10.8 | 176 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | V63 E64 E69 | V63-T67 HydrophobicContact CG1-CG2 3.76Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.3Å; V63-T67 PolarHBondContact O-OG1 3.16Å; E64-T67 WeakPolarHBondContact CA-OG1 3.44Å; E64-T67 PolarHBondContact O-OG1 2.98Å; T67-E69 PolarHBondContact O-N 3Å |
| 68 | L | 60.5 | Low | 64 | Low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -83.8 | 32.7 | 177.9 | -76.7 | 173.2 | 0 | 0 | 0 | 114.3 | E64 | E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 WeakPolarHBondContact O-CD1 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.21Å | ||
| 69 | E | 57.3 | Low | 61.6 | Low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 67% | 0.665 | S | S | * | * | trans | -116 | 89.8 | 161.8 | -161.2 | 173.9 | -157.6 | 0 | 0 | 108.3 | T67 | T67-E69 PolarHBondContact O-N 3Š| ||
| 70 | N | 53.7 | Low | 59.1 | Low | 146 Ų | 146 | 130.3 Ų | 130.3 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | trans | 162.9 | 61.6 | 146.6 | -83.2 | -18.3 | 0 | 0 | 0 | 111.7 | ||||
| 71 | V | 53 | Low | 56.7 | Low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -129.6 | 93 | 134.9 | -177.3 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 72 | A | 50.3 | Low | 54.3 | Low | 76 Ų | 76 | 135.7 Ų | 135.7 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 128.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | D74 | A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 PolarHBondContact O-N 2.88Å | ||
| 73 | P | 48.6 | Very low | 52.3 | Low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | trans | -63.5 | 103.7 | 166.1 | 25.4 | -29.5 | 0 | 0 | 0 | 106.1 | T75 | P73-T75 PolarHBondContact O-N 3.31Å; P73-T75 PolarHBondContact O-OG1 3.12Å | ||
| 74 | D | 39.4 | Very low | 49.8 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -48.6 | 109.5 | 173 | -101.3 | -33.2 | 0 | 0 | 0 | 107.7 | A72 H76 | A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 PolarHBondContact O-N 2.88Å; D74-H76 PolarHBondContact O-N 2.93Å | ||
| 75 | T | 44 | Very low | 47.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | -78.8 | 75.4 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 106.1 | P73 R77 | P73-T75 PolarHBondContact O-N 3.31Å; P73-T75 PolarHBondContact O-OG1 3.12Å; T75-R77 HydrophobicContact CG2-CB 4.01Å; T75-R77 HydrophobicContact CG2-CG 3.65Å; T75-R77 PolarHBondContact O-N 2.85Å | ||
| 76 | H | 41.8 | Very low | 45.9 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -74.9 | 65.4 | 159.1 | -68.9 | -61.5 | 0 | 0 | 0 | 108.5 | D74 V78 | D74-H76 PolarHBondContact O-N 2.93Å; H76-V78 PolarHBondContact O-N 3.49Å | ||
| 77 | R | 36.6 | Very low | 44 | Very low | 211 Ų | 211 | 137.5 Ų | 137.5 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -82.8 | 107 | 159.3 | -74.8 | -178.1 | 78.7 | 147.2 | 2.6 | 106.5 | T75 V79 | T75-R77 HydrophobicContact CG2-CB 4.01Å; T75-R77 HydrophobicContact CG2-CG 3.65Å; T75-R77 PolarHBondContact O-N 2.85Å; R77-V79 PolarHBondContact O-N 3.12Å; R77-V79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | V | 38.3 | Very low | 42.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49 | 116.7 | 165.3 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | H76 | H76-V78 PolarHBondContact O-N 3.49Š|
| 79 | V | 36 | Very low | 41.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 130.6 | 164.3 | 174.7 | 0 | 0 | 0 | 0 | 107.4 | R77 | R77-V79 PolarHBondContact O-N 3.12Å; R77-V79 VanDerWaalsContact O-N 3.16Å |
| 80 | P | 38.2 | Very low | 39.9 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -103 | 132.8 | 146 | -4.7 | 24.4 | 0 | 0 | 0 | 109.9 | ||
| 81 | H | 35.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | trans | -29.4 | 144.8 | 156.4 | -91.6 | -95.7 | 0 | 0 | 0 | 113 | ||||
| 82 | D | 36 | Very low | 37.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -170.5 | 177.3 | 49.3 | -133 | 13.4 | 0 | 0 | 0 | 110.6 | ||||
| 83 | P | 48.7 | Very low | 36.9 | Very low | 99 Ų | 99 | 137 Ų | 137 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -101.7 | 156.9 | -149.9 | 39.1 | -38.2 | 0 | 0 | 0 | 116 | ||||
| 84 | Q | 33.3 | Very low | 36.3 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -172.4 | 118 | 137.9 | -107.8 | 168.1 | -30 | 0 | 0 | 111.7 | ||||
| 85 | Q | 33.8 | Very low | 35.9 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 177.1 | 158.5 | -94 | -169.8 | -34.4 | 0 | 0 | 110.4 | ||||
| 86 | P | 44.3 | Very low | 35.2 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | cis | -144.4 | -179.8 | 14 | 34.5 | -9.9 | 0 | 0 | 0 | 117.7 | ||||
| 87 | D | 26.7 | Very low | 34.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | 83.4 | 131.7 | 144 | -61.6 | -26.2 | 0 | 0 | 0 | 126.1 | ||||
| 88 | H | 37.1 | Very low | 34.9 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | 131.6 | 95 | 137.3 | -67 | -62.9 | 0 | 0 | 0 | 118.3 | ||||
| 89 | S | 31 | Very low | 34.6 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 44.7 | 134.4 | 122.9 | 62 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 90 | S | 32.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 74.9 | 155 | 140.3 | 79.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 91 | S | 30.2 | Very low | 34.5 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -177.1 | 155.1 | -14.7 | 175.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 92 | H | 30.7 | Very low | 34.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 58% | 0.583 | 77% | 0.768 | S | S | * | * | trans | 60.4 | 120.7 | 153.5 | -109.2 | 58.5 | 0 | 0 | 0 | 120.8 | Q94 | H92-Q94 PolarHBondContact NE2-NE2 3.16Š| ||
| 93 | N | 32.9 | Very low | 34.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | -165.3 | 142.6 | 96.7 | -99 | -44.3 | 0 | 0 | 0 | 114 | |||||
| 94 | Q | 35.9 | Very low | 34.3 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -78.6 | 152.4 | 177.7 | -58.5 | 170.7 | 35.5 | 0 | 0 | 110.6 | H92 | H92-Q94 PolarHBondContact NE2-NE2 3.16Š| ||
| 95 | G | 31 | Very low | 34.4 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -161.9 | 82.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 96 | A | 29.9 | Very low | 34.8 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -68 | 130.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 97 | L | 34.7 | Very low | 35.1 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | -143.3 | 109 | 151 | -103.6 | 143 | 0 | 0 | 0 | 108.3 | ||||
| 98 | Q | 36 | Very low | 35.9 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -51.8 | 144.6 | 162.7 | -72.9 | 162.6 | 2.8 | 0 | 0 | 110.1 | ||||
| 99 | R | 32.9 | Very low | 36.1 | Very low | 254 Ų | 254 | 143.2 Ų | 143.2 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | 162.6 | 114.8 | 125.6 | -174.6 | 173.8 | -161.9 | -167.6 | 3.6 | 110.3 | |||||
| 100 | G | 31.2 | Very low | 36.8 | Very low | 61 Ų | 61 | 145.2 Ų | 145.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | 151.3 | 49.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N102 | G100-N102 PolarHBondContact O-N 3.33Š| ||
| 101 | K | 40.4 | Very low | 37.4 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -78.1 | 106.9 | 162.9 | -83.9 | 176 | 172.7 | 175.5 | 0 | 107.6 | ||||
| 102 | N | 38.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | -104.9 | 74.5 | 174.3 | -50.8 | -2.7 | 0 | 0 | 0 | 108 | G100 Y104 | G100-N102 PolarHBondContact O-N 3.33Å; N102-Y104 PolarHBondContact O-N 3.47Å | ||
| 103 | N | 38.8 | Very low | 39 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -77.1 | 109.1 | 164 | -72 | -15 | 0 | 0 | 0 | 107 | H105 | N103-H105 VanDerWaalsContact C-N 3.32Å; N103-H105 PolarHBondContact O-N 3.23Å | ||
| 104 | Y | 39.9 | Very low | 39.5 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 91.5 | 166.4 | -63.4 | -77.4 | 0 | 0 | 0 | 108.3 | N102 | N102-Y104 PolarHBondContact O-N 3.47Š| ||
| 105 | H | 34.8 | Very low | 40.5 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -87 | 99.9 | 165 | -170.9 | 38.3 | 0 | 0 | 0 | 107.6 | N103 E107 | N103-H105 VanDerWaalsContact C-N 3.32Å; N103-H105 PolarHBondContact O-N 3.23Å; H105-E107 WeakPolarHBondContact CD2-CG 3.39Å; H105-E107 IonicContact CD2-OE1 2.75Å; H105-E107 PolarHBondContact CD2-OE1 2.88Å; H105-E107 VanDerWaalsContact NE2-CD 3.32Å; H105-E107 VanDerWaalsContact NE2-CG 3.26Å; H105-E107 WeakPolarHBondContact NE2-CG 3.44Å; H105-E107 IonicContact NE2-OE1 3.47Å; H105-E107 PolarHBondContact NE2-OE1 3.23Å; H105-E107 IonicContact NE2-OE2 3.3Å; H105-E107 PolarHBondContact O-N 3.4Å; H105-E107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | T | 42.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -79.7 | 89.1 | 173.6 | -52.6 | 0 | 0 | 0 | 0 | 108.6 | V108 | T106-V108 HydrophobicContact CG2-CG2 3.93Å; T106-V108 PolarHBondContact O-N 3.29Å | ||
| 107 | E | 49.2 | Very low | 43.3 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | trans | -79.9 | 93 | 170.2 | -57.7 | -166.3 | -124.4 | 0 | 0 | 108.8 | H105 Y109 | H105-E107 WeakPolarHBondContact CD2-CG 3.39Å; H105-E107 IonicContact CD2-OE1 2.75Å; H105-E107 PolarHBondContact CD2-OE1 2.88Å; H105-E107 VanDerWaalsContact NE2-CD 3.32Å; H105-E107 VanDerWaalsContact NE2-CG 3.26Å; H105-E107 WeakPolarHBondContact NE2-CG 3.44Å; H105-E107 IonicContact NE2-OE1 3.47Å; H105-E107 PolarHBondContact NE2-OE1 3.23Å; H105-E107 IonicContact NE2-OE2 3.3Å; H105-E107 PolarHBondContact O-N 3.4Å; H105-E107 VanDerWaalsContact O-N 3.12Å; E107-Y109 PolarHBondContact O-N 3.4Å; E107-Y109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | V | 43.2 | Very low | 44.2 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 65% | 0.648 | 75% | 0.747 | S | S | * | * | trans | -74.3 | 100.2 | 170.3 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | T106 I110 | T106-V108 HydrophobicContact CG2-CG2 3.93Å; T106-V108 PolarHBondContact O-N 3.29Å; V108-I110 HydrophobicContact CG1-CD1 4.27Å; V108-I110 HydrophobicContact CG1-CG1 3.68Å; V108-I110 PolarHBondContact O-N 3.39Å | ||
| 109 | Y | 41.6 | Very low | 45.2 | Very low | 221 Ų | 221 | 142.9 Ų | 142.9 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | -70.6 | 93.5 | 169 | -166.1 | -93.8 | 0 | 0 | 0 | 109.3 | E107 G111 | E107-Y109 PolarHBondContact O-N 3.4Å; E107-Y109 VanDerWaalsContact O-N 3.14Å; Y109-G111 PolarHBondContact O-N 3.07Å | ||
| 110 | I | 46.5 | Very low | 46.4 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | trans | -86.6 | 103.8 | 168.9 | -55.9 | -178.8 | 0 | 0 | 0 | 107.2 | V108 Q112 | V108-I110 HydrophobicContact CG1-CD1 4.27Å; V108-I110 HydrophobicContact CG1-CG1 3.68Å; V108-I110 PolarHBondContact O-N 3.39Å; I110-Q112 PolarHBondContact O-N 3.27Å | ||
| 111 | G | 44.8 | Very low | 47.5 | Very low | 48 Ų | 48 | 141.7 Ų | 141.7 | 50% | 0.495 | 72% | 0.724 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 129 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y109 P113 | Y109-G111 PolarHBondContact O-N 3.07Å; G111-P113 VanDerWaalsContact O-CD 3.3Å; G111-P113 WeakPolarHBondContact O-CD 3.19Å |
| 112 | Q | 48.2 | Very low | 48.3 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.9 | 178.9 | -68.5 | -173.2 | -17.7 | 0 | 0 | 110.3 | I110 | I110-Q112 PolarHBondContact O-N 3.27Š|
| 113 | P | 46.7 | Very low | 49.2 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.7 | 172.1 | 21.7 | -13.3 | 0 | 0 | 0 | 109.3 | G111 R115 | G111-P113 VanDerWaalsContact O-CD 3.3Å; G111-P113 WeakPolarHBondContact O-CD 3.19Å; P113-R115 PolarHBondContact O-N 3.35Å |
| 114 | G | 43.7 | Very low | 50.1 | Low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 132.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | N116 | G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.35Å |
| 115 | R | 55.6 | Low | 50.9 | Low | 249 Ų | 249 | 132.4 Ų | 132.4 | 94% | 0.94 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -71.9 | 78.5 | 177.3 | -69.9 | 177.9 | 160.9 | -175 | -3.8 | 111.1 | P113 | P113-R115 PolarHBondContact O-N 3.35Š|
| 116 | N | 60.9 | Low | 51.9 | Low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 173.6 | 77.6 | 167.7 | 43.9 | -10.4 | 0 | 0 | 0 | 112.9 | G114 | G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.35Å |
| 117 | S | 58.8 | Low | 52.4 | Low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -164.1 | -23.8 | 151.6 | -159.1 | 0 | 0 | 0 | 0 | 114.9 | V119 R120 S121 | S117-V119 PolarHBondContact O-N 2.94Å; S117-R120 PolarHBondContact O-N 2.83Å; S117-S121 PolarHBondContact O-N 3.43Å |
| 118 | L | 55 | Low | 52.8 | Low | 144 Ų | 144 | 124 Ų | 124 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.5 | -35.5 | -171.5 | -60.9 | 178 | 0 | 0 | 0 | 113.3 | R120 L122 | L118-R120 PolarHBondContact O-N 3.19Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 PolarHBondContact O-N 3.25Å |
| 119 | V | 56.7 | Low | 53.5 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.8 | -30.3 | -176.8 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | S117 K123 | S117-V119 PolarHBondContact O-N 2.94Å; V119-K123 WeakPolarHBondContact O-CG 3.49Å; V119-K123 PolarHBondContact O-N 2.79Å |
| 120 | R | 56.6 | Low | 54.3 | Low | 211 Ų | 211 | 119.9 Ų | 119.9 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.7 | -37.5 | 179.1 | -158.5 | 174 | -160.9 | 151.9 | 3.3 | 111.7 | S117 L118 L122 K123 | S117-R120 PolarHBondContact O-N 2.83Å; L118-R120 PolarHBondContact O-N 3.19Å; R120-L122 VanDerWaalsContact C-N 3.35Å; R120-K123 PolarHBondContact O-N 3.18Å |
| 121 | S | 54.9 | Low | 54.9 | Low | 78 Ų | 78 | 118.2 Ų | 118.2 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.1 | -35.6 | 174.6 | -137.1 | 0 | 0 | 0 | 0 | 112.2 | S117 N124 T125 | S117-S121 PolarHBondContact O-N 3.43Å; S121-N124 PolarHBondContact O-N 3.42Å; S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.3Å |
| 122 | L | 57.2 | Low | 55.8 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 50% | 0.503 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.3 | -39.5 | 174.7 | -105.5 | 146.5 | 0 | 0 | 0 | 113.2 | L118 R120 N124 T125 I126 | L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 PolarHBondContact O-N 3.25Å; R120-L122 VanDerWaalsContact C-N 3.35Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 3.31Å; L122-T125 VanDerWaalsContact CA-OG1 3.31Å; L122-T125 WeakPolarHBondContact CA-OG1 3.33Å; L122-T125 PolarHBondContact O-N 2.95Å; L122-T125 PolarHBondContact O-OG1 3.2Å; L122-T125 VanDerWaalsContact O-OG1 3.1Å; L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG1 4.25Å; L122-I126 VanDerWaalsContact O-CD1 3.25Å; L122-I126 WeakPolarHBondContact O-CD1 3.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 2.91Å; L122-I126 VanDerWaalsContact O-N 3.17Å |
| 123 | K | 58.3 | Low | 56.4 | Low | 152 Ų | 152 | 114.7 Ų | 114.7 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.4 | -32.8 | -179.9 | -72.3 | 178.5 | -178.4 | -173 | 0 | 113 | V119 R120 | V119-K123 WeakPolarHBondContact O-CG 3.49Å; V119-K123 PolarHBondContact O-N 2.79Å; R120-K123 PolarHBondContact O-N 3.18Å |
| 124 | N | 57.4 | Low | 57.4 | Low | 132 Ų | 132 | 113.1 Ų | 113.1 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.6 | -25 | 178.2 | -71.8 | -1.6 | 0 | 0 | 0 | 113.1 | S121 L122 | S121-N124 PolarHBondContact O-N 3.42Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 3.31Å |
| 125 | T | 56.1 | Low | 58.2 | Low | 83 Ų | 83 | 116.9 Ų | 116.9 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -87.8 | -22.9 | -178.1 | 34.8 | 0 | 0 | 0 | 0 | 113.8 | S121 L122 S128 | S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.3Å; L122-T125 VanDerWaalsContact CA-OG1 3.31Å; L122-T125 WeakPolarHBondContact CA-OG1 3.33Å; L122-T125 PolarHBondContact O-N 2.95Å; L122-T125 PolarHBondContact O-OG1 3.2Å; L122-T125 VanDerWaalsContact O-OG1 3.1Å; T125-S128 PolarHBondContact O-OG 3.18Å |
| 126 | I | 55.1 | Low | 58.6 | Low | 103 Ų | 103 | 107 Ų | 107 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.1 | -27.9 | 179.3 | -64.2 | 159.4 | 0 | 0 | 0 | 111.8 | L122 K129 | L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG1 4.25Å; L122-I126 VanDerWaalsContact O-CD1 3.25Å; L122-I126 WeakPolarHBondContact O-CD1 3.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 2.91Å; L122-I126 VanDerWaalsContact O-N 3.17Å; I126-K129 WeakPolarHBondContact O-CB 3.13Å |
| 127 | A | 54.3 | Low | 58.9 | Low | 96 Ų | 96 | 105.2 Ų | 105.2 | 79% | 0.793 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 128 | S | 57.1 | Low | 59.2 | Low | 35 Ų | 35 | 104.4 Ų | 104.4 | 25% | 0.245 | 61% | 0.608 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | 14.2 | 179.2 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | T125 G130 | T125-S128 PolarHBondContact O-OG 3.18Å; S128-G130 VanDerWaalsContact C-N 3.29Å; S128-G130 PolarHBondContact O-N 3.46Å |
| 129 | K | 58.8 | Low | 59.5 | Low | 182 Ų | 182 | 106.2 Ų | 106.2 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 75.3 | -174.4 | -163.8 | -179.2 | -174.5 | -175.4 | 0 | 111.4 | I126 | I126-K129 WeakPolarHBondContact O-CB 3.13Š|
| 130 | G | 58 | Low | 59.9 | Low | 60 Ų | 60 | 108.6 Ų | 108.6 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.6 | -18.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S128 P132 | S128-G130 VanDerWaalsContact C-N 3.29Å; S128-G130 PolarHBondContact O-N 3.46Å; G130-P132 WeakPolarHBondContact O-CD 3.17Å |
| 131 | N | 58.8 | Low | 60.4 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | trans | -94.7 | 114.6 | -178.7 | -75 | -24.2 | 0 | 0 | 0 | 111 | S133 V134 | N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-V134 HydrophobicContact CB-CG2 4.31Å; N131-V134 PolarHBondContact O-N 3.19Å; N131-V134 VanDerWaalsContact O-N 3.16Å | ||
| 132 | P | 63.5 | Low | 61.1 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.3 | -22.7 | -178 | 25.4 | -33.8 | 0 | 0 | 0 | 112.9 | G130 V134 L135 A136 | G130-P132 WeakPolarHBondContact O-CD 3.17Å; P132-V134 PolarHBondContact O-N 2.88Å; P132-L135 PolarHBondContact O-N 3.25Å; P132-A136 PolarHBondContact O-N 2.87Å |
| 133 | S | 61.8 | Low | 61.6 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.5 | -19.1 | 177 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | N131 P137 | N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact O-N 3.16Å; S133-P137 WeakPolarHBondContact O-CA 3.06Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å |
| 134 | V | 66.5 | Low | 61.8 | Low | 82 Ų | 82 | 106.7 Ų | 106.7 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -95.6 | -32.8 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | N131 P132 | N131-V134 HydrophobicContact CB-CG2 4.31Å; N131-V134 PolarHBondContact O-N 3.19Å; N131-V134 VanDerWaalsContact O-N 3.16Å; P132-V134 PolarHBondContact O-N 2.88Å |
| 135 | L | 61.4 | Low | 62.2 | Low | 144 Ų | 144 | 109.4 Ų | 109.4 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78 | -34.1 | -179.3 | -68.2 | 171.8 | 0 | 0 | 0 | 112.7 | P132 | P132-L135 PolarHBondContact O-N 3.25Å |
| 136 | A | 63.6 | Low | 62.8 | Low | 41 Ų | 41 | 109.7 Ų | 109.7 | 34% | 0.339 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -145.3 | 79.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P132 G138 Y139 | P132-A136 PolarHBondContact O-N 2.87Å; A136-G138 PolarHBondContact O-N 3.16Å; A136-G138 VanDerWaalsContact O-N 3.11Å; A136-Y139 PolarHBondContact O-N 2.9Å |
| 137 | P | 66.5 | Low | 63.6 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 118.7 | 175.5 | -21.7 | 31.7 | 0 | 0 | 0 | 110.2 | S133 | S133-P137 WeakPolarHBondContact O-CA 3.06Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å |
| 138 | G | 65.4 | Low | 64.3 | Low | 70 Ų | 70 | 112.2 Ų | 112.2 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.8 | -11.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A136 N140 | A136-G138 PolarHBondContact O-N 3.16Å; A136-G138 VanDerWaalsContact O-N 3.11Å; G138-N140 PolarHBondContact O-N 3.45Å |
| 139 | Y | 61.3 | Low | 64.8 | Low | 182 Ų | 182 | 117.6 Ų | 117.6 | 71% | 0.714 | 66% | 0.661 | S | S | * | * | trans | -93.9 | 82.7 | 174.2 | -124.2 | -95.8 | 0 | 0 | 0 | 110 | A136 G141 | A136-Y139 PolarHBondContact O-N 2.9Å; Y139-G141 PolarHBondContact O-N 2.9Å | ||
| 140 | N | 64.3 | Low | 65.2 | Low | 156 Ų | 156 | 119 Ų | 119 | 83% | 0.834 | 66% | 0.661 | S | S | * | * | trans | -76.8 | 49.7 | 179.9 | -74.5 | -45.5 | 0 | 0 | 0 | 113.2 | G138 | G138-N140 PolarHBondContact O-N 3.45Š| ||
| 141 | G | 68.2 | Low | 65.2 | Low | 38 Ų | 38 | 123.3 Ų | 123.3 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | S | Bend | trans | 73.4 | -176.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y139 L143 | Y139-G141 PolarHBondContact O-N 2.9Å; G141-L143 PolarHBondContact O-N 2.66Å |
| 142 | P | 69.8 | Low | 65 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -54.6 | 137.5 | 176.5 | -18.9 | 30.3 | 0 | 0 | 0 | 109.3 | K144 | P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.02Å |
| 143 | L | 67.8 | Low | 64.7 | Low | 141 Ų | 141 | 126.5 Ų | 126.5 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -53.1 | 81.5 | -175.5 | -64.1 | 165.5 | 0 | 0 | 0 | 111.7 | G141 E145 V146 | G141-L143 PolarHBondContact O-N 2.66Å; L143-E145 PolarHBondContact O-N 2.87Å; L143-V146 HydrophobicContact CB-CB 4.01Å; L143-V146 HydrophobicContact CB-CG2 3.76Å; L143-V146 HydrophobicContact CD1-CG2 3.96Å; L143-V146 HydrophobicContact CD2-CG2 4.48Å; L143-V146 HydrophobicContact CG-CG2 4.27Å; L143-V146 PolarHBondContact O-N 3.29Å | ||
| 144 | K | 61.9 | Low | 64.5 | Low | 204 Ų | 204 | 128.5 Ų | 128.5 | 89% | 0.887 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -21.2 | 179.1 | -83.1 | -178.7 | 176.6 | -179 | 0 | 112.2 | P142 | P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.02Å |
| 145 | E | 66.2 | Low | 63.9 | Low | 188 Ų | 188 | 130.3 Ų | 130.3 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -13.6 | -179.5 | -63.9 | -170.1 | -177.3 | 0 | 0 | 113.5 | L143 P147 | L143-E145 PolarHBondContact O-N 2.87Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å |
| 146 | V | 68.2 | Low | 63.8 | Low | 90 Ų | 90 | 129.3 Ų | 129.3 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -76.8 | 111 | 170.2 | 174.5 | 0 | 0 | 0 | 0 | 106.3 | L143 H148 | L143-V146 HydrophobicContact CB-CB 4.01Å; L143-V146 HydrophobicContact CB-CG2 3.76Å; L143-V146 HydrophobicContact CD1-CG2 3.96Å; L143-V146 HydrophobicContact CD2-CG2 4.48Å; L143-V146 HydrophobicContact CG-CG2 4.27Å; L143-V146 PolarHBondContact O-N 3.29Å; V146-H148 PolarHBondContact O-N 2.83Å |
| 147 | P | 73.2 | Confident | 63.4 | Low | 105 Ų | 105 | 130.7 Ų | 130.7 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | trans | -55.1 | 136.6 | 175.1 | 22.9 | -30.9 | 0 | 0 | 0 | 107.5 | E145 E149 | E145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-E149 PolarHBondContact O-N 2.71Å | ||
| 148 | H | 68.4 | Low | 62.9 | Low | 147 Ų | 147 | 136.3 Ų | 136.3 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | trans | -48.7 | 123.3 | 175.6 | 52.7 | -101 | 0 | 0 | 0 | 107.8 | V146 R150 | V146-H148 PolarHBondContact O-N 2.83Å; H148-R150 PolarHBondContact O-N 3.06Å | ||
| 149 | E | 68.1 | Low | 62.8 | Low | 147 Ų | 147 | 137.7 Ų | 137.7 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -58.1 | 108.5 | 175.7 | -174.7 | 173.2 | -175.5 | 0 | 0 | 106.5 | P147 F151 | P147-E149 PolarHBondContact O-N 2.71Å; E149-F151 HydrophobicContact CB-CD2 4.29Å; E149-F151 HydrophobicContact CG-CD2 3.71Å; E149-F151 HydrophobicContact CG-CE2 3.88Å; E149-F151 PolarHBondContact O-N 3.46Å; E149-F151 VanDerWaalsContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CZ 3.28Å; E149-F151 VanDerWaalsContact OE2-CE2 3.28Å; E149-F151 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 150 | R | 66.1 | Low | 63 | Low | 211 Ų | 211 | 136.9 Ų | 136.9 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | trans | -74.5 | 70.2 | 170.9 | -70.7 | -163.9 | -95.5 | 176.7 | -6.6 | 106.5 | H148 N152 | H148-R150 PolarHBondContact O-N 3.06Å; R150-N152 PolarHBondContact O-N 3.31Å | ||
| 151 | F | 58.4 | Low | 63.1 | Low | 152 Ų | 152 | 133.3 Ų | 133.3 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | -45.8 | 122.1 | 157.5 | -94.8 | -82.5 | 0 | 0 | 0 | 105.6 | E149 V153 | E149-F151 HydrophobicContact CB-CD2 4.29Å; E149-F151 HydrophobicContact CG-CD2 3.71Å; E149-F151 HydrophobicContact CG-CE2 3.88Å; E149-F151 PolarHBondContact O-N 3.46Å; E149-F151 VanDerWaalsContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CZ 3.28Å; E149-F151 VanDerWaalsContact OE2-CE2 3.28Å; E149-F151 WeakPolarHBondContact OE2-CE2 3.49Å; F151-V153 PolarHBondContact O-N 3.39Å | ||
| 152 | N | 55.3 | Low | 63.2 | Low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | trans | -54.5 | 102.1 | -177.4 | -65 | -53 | 0 | 0 | 0 | 108.2 | R150 T154 | R150-N152 PolarHBondContact O-N 3.31Å; N152-T154 PolarHBondContact O-N 2.97Å | ||
| 153 | V | 56.7 | Low | 63.1 | Low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -63.5 | 4.7 | 171.7 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | F151 | F151-V153 PolarHBondContact O-N 3.39Š|
| 154 | T | 56.8 | Low | 62.8 | Low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | trans | -112.3 | 54.1 | 179.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | N152 | N152-T154 PolarHBondContact O-N 2.97Š| ||
| 155 | V | 54.6 | Low | 62.9 | Low | 120 Ų | 120 | 129 Ų | 129 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -128.7 | 38.1 | 150.3 | -152.4 | 0 | 0 | 0 | 0 | 109.6 | P157 | V155-P157 WeakPolarHBondContact O-CD 3.15Š| ||
| 156 | I | 60.2 | Low | 62.7 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -75.4 | 103.5 | 144 | -60.7 | 167.7 | 0 | 0 | 0 | 102.9 | K158 | I156-K158 PolarHBondContact O-N 2.78Š|
| 157 | P | 53.6 | Low | 62.2 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | trans | -53.7 | 133.4 | 171.1 | 24.4 | -31.8 | 0 | 0 | 0 | 106 | V155 S159 Y160 | V155-P157 WeakPolarHBondContact O-CD 3.15Å; P157-S159 PolarHBondContact O-N 3.28Å; P157-Y160 PolarHBondContact O-N 3.01Å | ||
| 158 | K | 57.3 | Low | 61.4 | Low | 227 Ų | 227 | 127.9 Ų | 127.9 | 99% | 0.987 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 4.2 | 178.1 | -68.3 | 179.5 | 175.5 | 178.9 | 0 | 113.7 | I156 | I156-K158 PolarHBondContact O-N 2.78Š|
| 159 | S | 63 | Low | 60.8 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -6 | 177.9 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | P157 C161 | P157-S159 PolarHBondContact O-N 3.28Å; S159-C161 VanDerWaalsContact C-N 3.33Å; S159-C161 PolarHBondContact O-N 3.14Å |
| 160 | Y | 65.7 | Low | 60.5 | Low | 164 Ų | 164 | 127.2 Ų | 127.2 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | trans | -72.4 | 95.3 | 172.3 | -176.1 | -99.1 | 0 | 0 | 0 | 108.9 | P157 | P157-Y160 PolarHBondContact O-N 3.01Š| ||
| 161 | C | 65.1 | Low | 60.1 | Low | 81 Ų | 81 | 120.6 Ų | 120.6 | 55% | 0.547 | 64% | 0.637 | S | S | . | * | trans | -97.4 | 122.1 | 168.6 | -160.4 | 0 | 0 | 0 | 0 | 107.4 | S159 | S159-C161 VanDerWaalsContact C-N 3.33Å; S159-C161 PolarHBondContact O-N 3.14Å | ||
| 162 | S | 70.6 | Confident | 60.3 | Low | 31 Ų | 31 | 117.7 Ų | 117.7 | 22% | 0.217 | 63% | 0.629 | C | S | . | * | trans | -61.5 | 128.8 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 108.9 | W164 Q165 | S162-W164 PolarHBondContact O-N 2.82Å; S162-W164 PolarHBondContact OG-N 3.38Å; S162-Q165 WeakPolarHBondContact O-CB 3.49Å; S162-Q165 PolarHBondContact O-N 3.32Å | ||
| 163 | P | 68.1 | Low | 60.8 | Low | 89 Ų | 89 | 112.8 Ų | 112.8 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.5 | -27 | 175.5 | -23.6 | 32.1 | 0 | 0 | 0 | 112.6 | Q165 | P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.06Å |
| 164 | W | 61.9 | Low | 61.4 | Low | 189 Ų | 189 | 112.1 Ų | 112.1 | 72% | 0.716 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.9 | -20.9 | 177.4 | -54.4 | 102.3 | 0 | 0 | 0 | 113.3 | S162 I166 Q167 H168 | S162-W164 PolarHBondContact O-N 2.82Å; S162-W164 PolarHBondContact OG-N 3.38Å; W164-I166 VanDerWaalsContact C-N 3.34Å; W164-Q167 PolarHBondContact O-N 3.45Å; W164-H168 PolarHBondContact O-CD2 2.78Å; W164-H168 VanDerWaalsContact O-CD2 3.28Å |
| 165 | Q | 63.5 | Low | 62.1 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 46% | 0.458 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.3 | -25.7 | 179.7 | -160.9 | 163.9 | -19.5 | 0 | 0 | 112.4 | S162 P163 Q167 H168 H169 | S162-Q165 WeakPolarHBondContact O-CB 3.49Å; S162-Q165 PolarHBondContact O-N 3.32Å; P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.06Å; Q165-Q167 PolarHBondContact O-N 3.11Å; Q165-H168 PolarHBondContact O-N 2.76Å; Q165-H169 PolarHBondContact O-N 3.15Å |
| 166 | I | 61.7 | Low | 62.9 | Low | 121 Ų | 121 | 112 Ų | 112 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62 | -35.5 | 173.9 | -59.3 | 173.2 | 0 | 0 | 0 | 110.5 | W164 H168 H169 N170 | W164-I166 VanDerWaalsContact C-N 3.34Å; I166-H168 VanDerWaalsContact C-N 3.34Å; I166-H169 PolarHBondContact O-N 3.26Å; I166-N170 PolarHBondContact O-N 3.06Å |
| 167 | Q | 58.1 | Low | 63.4 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.5 | -25.7 | 179.6 | -167.8 | 156.7 | -1.9 | 0 | 0 | 113.1 | W164 Q165 | W164-Q167 PolarHBondContact O-N 3.45Å; Q165-Q167 PolarHBondContact O-N 3.11Å |
| 168 | H | 57 | Low | 64.4 | Low | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.4 | -27.3 | 173.9 | -75.2 | -80.1 | 0 | 0 | 0 | 113.3 | W164 Q165 I166 S173 | W164-H168 PolarHBondContact O-CD2 2.78Å; W164-H168 VanDerWaalsContact O-CD2 3.28Å; Q165-H168 PolarHBondContact O-N 2.76Å; I166-H168 VanDerWaalsContact C-N 3.34Å; H168-S173 WeakPolarHBondContact O-CB 3.18Å; H168-S173 PolarHBondContact O-OG 2.7Å |
| 169 | H | 55.8 | Low | 65.3 | Low | 155 Ų | 155 | 102.1 Ų | 102.1 | 72% | 0.718 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -89.1 | -20 | -178.2 | -94.2 | -78.7 | 0 | 0 | 0 | 114.8 | Q165 I166 G171 | Q165-H169 PolarHBondContact O-N 3.15Å; I166-H169 PolarHBondContact O-N 3.26Å; H169-G171 PolarHBondContact O-N 3.23Å; H169-G171 VanDerWaalsContact O-N 3.11Å |
| 170 | N | 60.1 | Low | 66 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -68.7 | 108.1 | 165.3 | -167.8 | 2.8 | 0 | 0 | 0 | 105.9 | I166 N172 S173 | I166-N170 PolarHBondContact O-N 3.06Å; N170-N172 PolarHBondContact O-N 2.83Å; N170-S173 PolarHBondContact O-N 3.24Å |
| 171 | G | 58.5 | Low | 66.3 | Low | 72 Ų | 72 | 98.1 Ų | 98.1 | 74% | 0.742 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 29.3 | -161.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | H169 | H169-G171 PolarHBondContact O-N 3.23Å; H169-G171 VanDerWaalsContact O-N 3.11Å |
| 172 | N | 62 | Low | 66.7 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 3.6 | 173.5 | -132.7 | 14.9 | 0 | 0 | 0 | 112.1 | N170 D174 K175 L176 | N170-N172 PolarHBondContact O-N 2.83Å; N172-D174 PolarHBondContact O-N 3.05Å; N172-K175 PolarHBondContact O-N 2.93Å; N172-K175 WeakPolarHBondContact OD1-CD 3.45Å; N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.24Å |
| 173 | S | 67.1 | Low | 66.8 | Low | 23 Ų | 23 | 104.1 Ų | 104.1 | 16% | 0.161 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -60.5 | -42.1 | -179.6 | 51 | 0 | 0 | 0 | 0 | 112.1 | H168 N170 K175 L176 L177 | H168-S173 WeakPolarHBondContact O-CB 3.18Å; H168-S173 PolarHBondContact O-OG 2.7Å; N170-S173 PolarHBondContact O-N 3.24Å; S173-K175 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 3.05Å; S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.39Å; S173-L177 PolarHBondContact O-N 3.48Å |
| 174 | D | 69.1 | Low | 67 | Low | 119 Ų | 119 | 105.2 Ų | 105.2 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.1 | -40.6 | 176.6 | -66 | -28.2 | 0 | 0 | 0 | 112.2 | N172 S178 | N172-D174 PolarHBondContact O-N 3.05Å; D174-S178 VanDerWaalsContact O-CB 3.3Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 2.85Å |
| 175 | K | 70.6 | Confident | 67.4 | Low | 150 Ų | 150 | 101.6 Ų | 101.6 | 65% | 0.652 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 175.5 | -68.6 | -172.1 | -172 | 167.3 | 0 | 112 | N172 S173 S178 A179 | N172-K175 PolarHBondContact O-N 2.93Å; N172-K175 WeakPolarHBondContact OD1-CD 3.45Å; S173-K175 PolarHBondContact O-N 3.18Å; K175-S178 PolarHBondContact O-N 3.38Å; K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.05Å |
| 176 | L | 71.3 | Confident | 67.7 | Low | 83 Ų | 83 | 105.4 Ų | 105.4 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.1 | -42.4 | 178.1 | -175.6 | 142.6 | 0 | 0 | 0 | 111.6 | N172 S173 S178 A179 I180 | N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.24Å; S173-L176 PolarHBondContact O-N 3.05Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-A179 PolarHBondContact O-N 3.27Å; L176-I180 HydrophobicContact CD2-CD1 3.48Å; L176-I180 VanDerWaalsContact CD2-CD1 3.48Å; L176-I180 HydrophobicContact CD2-CG1 4.44Å; L176-I180 HydrophobicContact CG-CD1 4.23Å; L176-I180 WeakPolarHBondContact O-CB 3.09Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.2Å; L176-I180 PolarHBondContact O-N 2.87Å |
| 177 | L | 71 | Confident | 67.7 | Low | 93 Ų | 93 | 106.7 Ų | 106.7 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.8 | -40.8 | 172.5 | -71.9 | 172.3 | 0 | 0 | 0 | 111.3 | S173 I180 S181 | S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.39Å; S173-L177 PolarHBondContact O-N 3.48Å; L177-I180 PolarHBondContact O-N 2.97Å; L177-S181 VanDerWaalsContact O-CB 3.31Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.04Å |
| 178 | S | 74.7 | Confident | 68.1 | Low | 76 Ų | 76 | 106.4 Ų | 106.4 | 53% | 0.531 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.6 | -43.7 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.9 | D174 K175 L176 S181 A182 | D174-S178 VanDerWaalsContact O-CB 3.3Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 2.85Å; K175-S178 PolarHBondContact O-N 3.38Å; L176-S178 VanDerWaalsContact C-N 3.33Å; S178-S181 PolarHBondContact O-N 2.98Å; S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.25Å |
| 179 | A | 77.5 | Confident | 68.4 | Low | 45 Ų | 45 | 109 Ų | 109 | 37% | 0.372 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.1 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K175 L176 A182 H183 | K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.05Å; L176-A179 PolarHBondContact O-N 3.27Å; A179-A182 PolarHBondContact O-N 2.8Å; A179-H183 PolarHBondContact O-CD2 3.1Å; A179-H183 PolarHBondContact O-N 3.31Å; A179-H183 VanDerWaalsContact O-N 3.1Å |
| 180 | I | 76.2 | Confident | 68.6 | Low | 87 Ų | 87 | 111.6 Ų | 111.6 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.9 | -45.5 | 175.5 | -70.4 | 170.5 | 0 | 0 | 0 | 110.4 | L176 L177 A182 H183 L184 | L176-I180 HydrophobicContact CD2-CD1 3.48Å; L176-I180 VanDerWaalsContact CD2-CD1 3.48Å; L176-I180 HydrophobicContact CD2-CG1 4.44Å; L176-I180 HydrophobicContact CG-CD1 4.23Å; L176-I180 WeakPolarHBondContact O-CB 3.09Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.2Å; L176-I180 PolarHBondContact O-N 2.87Å; L177-I180 PolarHBondContact O-N 2.97Å; I180-A182 VanDerWaalsContact C-N 3.29Å; I180-A182 PolarHBondContact O-N 2.73Å; I180-H183 PolarHBondContact O-N 2.82Å; I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 VanDerWaalsContact O-CD1 3.25Å; I180-L184 WeakPolarHBondContact O-CD1 3.26Å; I180-L184 PolarHBondContact O-N 3.02Å; I180-L184 VanDerWaalsContact O-N 3.1Å |
| 181 | S | 72.7 | Confident | 68.5 | Low | 92 Ų | 92 | 111.9 Ų | 111.9 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.2 | -32.2 | 178.8 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | L177 S178 | L177-S181 VanDerWaalsContact O-CB 3.31Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.04Å; S178-S181 PolarHBondContact O-N 2.98Å |
| 182 | A | 73.5 | Confident | 68.7 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 66% | 0.661 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S178 A179 I180 | S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.25Å; A179-A182 PolarHBondContact O-N 2.8Å; I180-A182 VanDerWaalsContact C-N 3.29Å; I180-A182 PolarHBondContact O-N 2.73Å |
| 183 | H | 71.5 | Confident | 68.6 | Low | 159 Ų | 159 | 115.2 Ų | 115.2 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -95.5 | -5.4 | 178.8 | -68.1 | -54.6 | 0 | 0 | 0 | 114 | A179 I180 P185 | A179-H183 PolarHBondContact O-CD2 3.1Å; A179-H183 PolarHBondContact O-N 3.31Å; A179-H183 VanDerWaalsContact O-N 3.1Å; I180-H183 PolarHBondContact O-N 2.82Å; H183-P185 WeakPolarHBondContact O-CD 3.22Å |
| 184 | L | 73.6 | Confident | 68.1 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.6 | 123.6 | 172.6 | -108.6 | 78.3 | 0 | 0 | 0 | 109.4 | I180 E186 | I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 VanDerWaalsContact O-CD1 3.25Å; I180-L184 WeakPolarHBondContact O-CD1 3.26Å; I180-L184 PolarHBondContact O-N 3.02Å; I180-L184 VanDerWaalsContact O-N 3.1Å; L184-E186 PolarHBondContact O-N 3.04Å |
| 185 | P | 70.9 | Confident | 67.7 | Low | 113 Ų | 113 | 120.6 Ų | 120.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.8 | 169 | -19.3 | 31.1 | 0 | 0 | 0 | 109.1 | H183 L187 | H183-P185 WeakPolarHBondContact O-CD 3.22Å; P185-L187 PolarHBondContact O-N 3.21Å |
| 186 | E | 69.8 | Low | 67.2 | Low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53 | 120.4 | 173.9 | -170.8 | 176.2 | 174 | 0 | 0 | 108.4 | L184 P188 | L184-E186 PolarHBondContact O-N 3.04Å; E186-P188 VanDerWaalsContact O-N 3.15Å |
| 187 | L | 61.5 | Low | 66.7 | Low | 147 Ų | 147 | 129.2 Ų | 129.2 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.8 | 179.3 | -79.1 | 167 | 0 | 0 | 0 | 107.2 | P185 Q189 | P185-L187 PolarHBondContact O-N 3.21Å; L187-Q189 PolarHBondContact O-N 2.92Å |
| 188 | P | 65.2 | Low | 66.3 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.2 | 179.5 | 18.4 | -29.2 | 0 | 0 | 0 | 108 | E186 K190 | E186-P188 VanDerWaalsContact O-N 3.15Å; P188-K190 PolarHBondContact O-N 2.69Å; P188-K190 VanDerWaalsContact O-N 3.08Å |
| 189 | Q | 64.4 | Low | 65.6 | Low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -39.5 | 120.9 | -179.1 | -119.3 | 175.9 | 11.5 | 0 | 0 | 108.3 | L187 L191 | L187-Q189 PolarHBondContact O-N 2.92Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.82Å | ||
| 190 | K | 59.8 | Low | 64.9 | Low | 208 Ų | 208 | 138.3 Ų | 138.3 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | trans | -50.1 | 100.4 | -176.5 | -168.7 | -178.9 | -172.7 | 178.7 | 0 | 107.4 | P188 T192 | P188-K190 PolarHBondContact O-N 2.69Å; P188-K190 VanDerWaalsContact O-N 3.08Å; K190-T192 PolarHBondContact O-N 2.88Å; K190-T192 VanDerWaalsContact O-N 3.12Å | ||
| 191 | L | 57.8 | Low | 64.2 | Low | 131 Ų | 131 | 144.7 Ų | 144.7 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -51.2 | 128.2 | 179.8 | -69.1 | 169.6 | 0 | 0 | 0 | 105.2 | Q189 | Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.82Å | ||
| 192 | T | 62.8 | Low | 63.4 | Low | 110 Ų | 110 | 143.3 Ų | 143.3 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | trans | -36.6 | 132.5 | 169.9 | 48.1 | 0 | 0 | 0 | 0 | 107.1 | K190 N194 | K190-T192 PolarHBondContact O-N 2.88Å; K190-T192 VanDerWaalsContact O-N 3.12Å; T192-N194 PolarHBondContact O-N 3Å | ||
| 193 | P | 59.7 | Low | 62.5 | Low | 124 Ų | 124 | 144.1 Ų | 144.1 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | trans | -53.7 | 94.2 | -169.9 | 22.9 | -33.5 | 0 | 0 | 0 | 108.5 | N195 | P193-N195 PolarHBondContact O-N 2.9Š| ||
| 194 | N | 56.8 | Low | 61.8 | Low | 86 Ų | 86 | 142.6 Ų | 142.6 | 46% | 0.46 | 72% | 0.724 | S | S | . | * | trans | -56.5 | 136.7 | 170.7 | -93.3 | 7 | 0 | 0 | 0 | 102.2 | T192 Y196 | T192-N194 PolarHBondContact O-N 3Å; N194-Y196 HydrophobicContact CB-CD2 3.38Å; N194-Y196 HydrophobicContact CB-CE2 3.24Å; N194-Y196 HydrophobicContact CB-CG 4.34Å; N194-Y196 PolarHBondContact O-N 3.25Å | ||
| 195 | N | 60.6 | Low | 61.2 | Low | 169 Ų | 169 | 142.1 Ų | 142.1 | 90% | 0.904 | 73% | 0.727 | S | S | * | * | trans | -66 | 56.1 | 177.7 | -68.1 | -56.3 | 0 | 0 | 0 | 110.1 | P193 R197 | P193-N195 PolarHBondContact O-N 2.9Å; N195-R197 PolarHBondContact O-N 2.61Å | ||
| 196 | Y | 60 | Low | 60.6 | Low | 176 Ų | 176 | 145.2 Ų | 145.2 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | -64.3 | 105.5 | 172 | -77.9 | -72 | 0 | 0 | 0 | 105.9 | N194 C198 | N194-Y196 HydrophobicContact CB-CD2 3.38Å; N194-Y196 HydrophobicContact CB-CE2 3.24Å; N194-Y196 HydrophobicContact CB-CG 4.34Å; N194-Y196 PolarHBondContact O-N 3.25Å; Y196-C198 PolarHBondContact O-N 3.27Å | ||
| 197 | R | 60.8 | Low | 60.3 | Low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | trans | -72.5 | 83.7 | 178.5 | -154.3 | 176.6 | -167.6 | -102.8 | 2.8 | 107.4 | N195 | N195-R197 PolarHBondContact O-N 2.61Š| ||
| 198 | C | 62.2 | Low | 59.7 | Low | 66 Ų | 66 | 136.1 Ų | 136.1 | 45% | 0.446 | 72% | 0.719 | S | S | . | * | trans | -75.1 | 130.2 | 173.5 | 55 | 0 | 0 | 0 | 0 | 109.4 | Y196 N200 R201 | Y196-C198 PolarHBondContact O-N 3.27Å; C198-N200 PolarHBondContact O-N 2.55Å; C198-R201 PolarHBondContact O-N 2.88Å; C198-R201 WeakPolarHBondContact SG-CB 3.25Å | ||
| 199 | F | 59.7 | Low | 59.1 | Low | 185 Ų | 185 | 137.4 Ų | 137.4 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -54.6 | -25.4 | -179.9 | -99.2 | -91.8 | 0 | 0 | 0 | 113.4 | R201 | F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.3Å |
| 200 | N | 62.8 | Low | 58.5 | Low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -80.6 | -10.6 | -178.4 | -62.3 | -25.3 | 0 | 0 | 0 | 113.9 | C198 | C198-N200 PolarHBondContact O-N 2.55Š|
| 201 | R | 63 | Low | 58.1 | Low | 220 Ų | 220 | 128.2 Ų | 128.2 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -100.6 | -9.1 | -176.3 | -160.8 | 166.3 | 173.9 | 178.4 | -2.5 | 113.7 | C198 F199 | C198-R201 PolarHBondContact O-N 2.88Å; C198-R201 WeakPolarHBondContact SG-CB 3.25Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.3Å |
| 202 | A | 55.8 | Low | 57.5 | Low | 63 Ų | 63 | 126.5 Ų | 126.5 | 52% | 0.521 | 73% | 0.725 | S | S | . | * | trans | -158.2 | 81.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | M204 | A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.44Å | ||
| 203 | P | 53 | Low | 57 | Low | 98 Ų | 98 | 127.9 Ų | 127.9 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -74.2 | 91.9 | 166.2 | 31.7 | -28.4 | 0 | 0 | 0 | 106.9 | P205 | P203-P205 VanDerWaalsContact C-CD 3.41Å; P203-P205 WeakPolarHBondContact O-CD 3.47Å | ||
| 204 | M | 58.8 | Low | 56.6 | Low | 126 Ų | 126 | 131 Ų | 131 | 62% | 0.621 | 73% | 0.729 | S | S | * | * | trans | -103.2 | 85.7 | 165.6 | -71.3 | -64.2 | -64.2 | 0 | 0 | 107.5 | A202 F206 | A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.44Å; M204-F206 PolarHBondContact O-N 3.38Å | ||
| 205 | P | 60.6 | Low | 56.1 | Low | 102 Ų | 102 | 135.3 Ų | 135.3 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -70.7 | -16.5 | -174.9 | 27.6 | -34.2 | 0 | 0 | 0 | 113.3 | P203 | P203-P205 VanDerWaalsContact C-CD 3.41Å; P203-P205 WeakPolarHBondContact O-CD 3.47Å |
| 206 | F | 58.4 | Low | 55.5 | Low | 178 Ų | 178 | 134.9 Ų | 134.9 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -139.1 | 128.6 | 171.6 | -56 | -77 | 0 | 0 | 0 | 108.8 | M204 G208 | M204-F206 PolarHBondContact O-N 3.38Å; F206-G208 PolarHBondContact O-N 3.05Å |
| 207 | G | 61.8 | Low | 54.8 | Low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -44.2 | 129.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 208 | G | 49 | Very low | 54.2 | Low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | -55.9 | 144.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F206 A210 | F206-G208 PolarHBondContact O-N 3.05Å; G208-A210 PolarHBondContact O-N 3.06Å | ||
| 209 | T | 54.2 | Low | 53.5 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -56 | 129.7 | -174.9 | 43 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 210 | A | 50.6 | Low | 52.8 | Low | 105 Ų | 105 | 125.3 Ų | 125.3 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -7.7 | 128 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | G208 | G208-A210 PolarHBondContact O-N 3.06Š| ||
| 211 | G | 51.8 | Low | 51.9 | Low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | trans | -179.5 | -0.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 212 | S | 45.2 | Very low | 51.4 | Low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -146.7 | 107.8 | 172.2 | -166.4 | 0 | 0 | 0 | 0 | 110.5 | R214 | S212-R214 PolarHBondContact O-N 3.19Å; S212-R214 WeakPolarHBondContact OG-CG 3.23Å | ||
| 213 | V | 53 | Low | 51.2 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | trans | -59.8 | 87.9 | 160.9 | 178.5 | 0 | 0 | 0 | 0 | 106.8 | M215 | V213-M215 HydrophobicContact CG1-CG 4.28Š| ||
| 214 | R | 49.5 | Very low | 50.9 | Low | 189 Ų | 189 | 127.5 Ų | 127.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -108.3 | 92.1 | 160.5 | -66.6 | -124.6 | -111 | -152.4 | -2.9 | 105.7 | S212 F216 | S212-R214 PolarHBondContact O-N 3.19Å; S212-R214 WeakPolarHBondContact OG-CG 3.23Å; R214-F216 HydrophobicContact CB-CD2 4.12Å; R214-F216 HydrophobicContact CB-CE2 3.86Å; R214-F216 PolarHBondContact O-N 3.36Å | ||
| 215 | M | 47.4 | Very low | 50.5 | Low | 177 Ų | 177 | 128.4 Ų | 128.4 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -59.4 | 89.6 | 161.9 | -70 | 173.2 | 92.6 | 0 | 0 | 106.7 | V213 | V213-M215 HydrophobicContact CG1-CG 4.28Š| ||
| 216 | F | 46.8 | Very low | 49.7 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.4 | 156.1 | -75 | -83.2 | 0 | 0 | 0 | 105.6 | R214 L218 | R214-F216 HydrophobicContact CB-CD2 4.12Å; R214-F216 HydrophobicContact CB-CE2 3.86Å; R214-F216 PolarHBondContact O-N 3.36Å; F216-L218 PolarHBondContact O-N 3.12Å |
| 217 | P | 46.8 | Very low | 49.4 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.8 | 164.9 | -1.9 | 12.6 | 0 | 0 | 0 | 105.7 | P219 | P217-P219 WeakPolarHBondContact O-CD 3.35Å; P217-P219 VanDerWaalsContact O-N 3.14Å |
| 218 | L | 48.2 | Very low | 49.2 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.7 | 165.5 | -80 | 97.9 | 0 | 0 | 0 | 105.8 | F216 G220 | F216-L218 PolarHBondContact O-N 3.12Å; L218-G220 PolarHBondContact O-N 2.7Å |
| 219 | P | 47.7 | Very low | 49.4 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 131.8 | 161.8 | -13.4 | 28.3 | 0 | 0 | 0 | 105.8 | P217 F221 | P217-P219 WeakPolarHBondContact O-CD 3.35Å; P217-P219 VanDerWaalsContact O-N 3.14Å; P219-F221 PolarHBondContact O-N 3.28Å; P219-F221 VanDerWaalsContact O-N 3.1Å |
| 220 | G | 43.4 | Very low | 49.7 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -40.3 | 120.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L218 E222 | L218-G220 PolarHBondContact O-N 2.7Å; G220-E222 PolarHBondContact O-N 3.33Å | ||
| 221 | F | 45.9 | Very low | 50.1 | Low | 170 Ų | 170 | 131.3 Ų | 131.3 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | trans | -70 | 81.1 | 169.6 | -177.7 | -99.7 | 0 | 0 | 0 | 106.8 | P219 L223 | P219-F221 PolarHBondContact O-N 3.28Å; P219-F221 VanDerWaalsContact O-N 3.1Å; F221-L223 HydrophobicContact CD1-CB 4.3Å; F221-L223 HydrophobicContact CE1-CB 3.81Å; F221-L223 HydrophobicContact CE1-CD1 3.43Å; F221-L223 VanDerWaalsContact CE1-CD1 3.43Å; F221-L223 HydrophobicContact CE1-CG 4.21Å; F221-L223 HydrophobicContact CZ-CB 4.43Å; F221-L223 HydrophobicContact CZ-CD1 3.48Å; F221-L223 VanDerWaalsContact CZ-CD1 3.48Å; F221-L223 PolarHBondContact O-N 3.22Å | ||
| 222 | E | 51.7 | Low | 50.5 | Low | 150 Ų | 150 | 133.8 Ų | 133.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -66.5 | 110.8 | 152.2 | -102 | -178 | 171.9 | 0 | 0 | 105.4 | G220 L224 | G220-E222 PolarHBondContact O-N 3.33Å; E222-L224 HydrophobicContact CB-CD1 4.18Å; E222-L224 HydrophobicContact CB-CG 4.04Å; E222-L224 PolarHBondContact O-N 3.38Å; E222-L224 VanDerWaalsContact OE2-CD1 3.26Å; E222-L224 WeakPolarHBondContact OE2-CD1 3.25Å | ||
| 223 | L | 51 | Low | 51.6 | Low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | -64.6 | 54.8 | 164.9 | -172.4 | 77.6 | 0 | 0 | 0 | 108.7 | F221 Q225 | F221-L223 HydrophobicContact CD1-CB 4.3Å; F221-L223 HydrophobicContact CE1-CB 3.81Å; F221-L223 HydrophobicContact CE1-CD1 3.43Å; F221-L223 VanDerWaalsContact CE1-CD1 3.43Å; F221-L223 HydrophobicContact CE1-CG 4.21Å; F221-L223 HydrophobicContact CZ-CB 4.43Å; F221-L223 HydrophobicContact CZ-CD1 3.48Å; F221-L223 VanDerWaalsContact CZ-CD1 3.48Å; F221-L223 PolarHBondContact O-N 3.22Å; L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.37Å | ||
| 224 | L | 48 | Very low | 52.3 | Low | 126 Ų | 126 | 135.9 Ų | 135.9 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | trans | -78.7 | 94 | 168.6 | -77.3 | 173.6 | 0 | 0 | 0 | 105.8 | E222 | E222-L224 HydrophobicContact CB-CD1 4.18Å; E222-L224 HydrophobicContact CB-CG 4.04Å; E222-L224 PolarHBondContact O-N 3.38Å; E222-L224 VanDerWaalsContact OE2-CD1 3.26Å; E222-L224 WeakPolarHBondContact OE2-CD1 3.25Å | ||
| 225 | Q | 49.4 | Very low | 53.2 | Low | 145 Ų | 145 | 133.7 Ų | 133.7 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | 59.2 | 82.8 | 147.7 | -155.4 | 163.1 | -6.1 | 0 | 0 | 112.1 | L223 H227 | L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.37Å; Q225-H227 VanDerWaalsContact C-N 3.31Å; Q225-H227 PolarHBondContact O-CD2 3.26Å; Q225-H227 VanDerWaalsContact O-CD2 3.31Å; Q225-H227 PolarHBondContact O-N 3.3Å | ||
| 226 | A | 44.9 | Very low | 54 | Low | 82 Ų | 82 | 128.1 Ų | 128.1 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | trans | -47.2 | 110.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | T228 | A226-T228 PolarHBondContact O-N 3.08Š| ||
| 227 | H | 50.3 | Low | 55 | Low | 169 Ų | 169 | 123.9 Ų | 123.9 | 78% | 0.782 | 67% | 0.671 | S | S | * | * | trans | -66.1 | 84.2 | 174 | -65.6 | -96.3 | 0 | 0 | 0 | 105.3 | Q225 E229 | Q225-H227 VanDerWaalsContact C-N 3.31Å; Q225-H227 PolarHBondContact O-CD2 3.26Å; Q225-H227 VanDerWaalsContact O-CD2 3.31Å; Q225-H227 PolarHBondContact O-N 3.3Å; H227-E229 PolarHBondContact O-N 3.13Å | ||
| 228 | T | 58.5 | Low | 55.9 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | trans | -55.9 | 114.1 | 160.9 | 48.6 | 0 | 0 | 0 | 0 | 104.2 | A226 | A226-T228 PolarHBondContact O-N 3.08Š| ||
| 229 | E | 52.6 | Low | 56.8 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | trans | -33.2 | 127.2 | 166.2 | -73.7 | -75.5 | 139.8 | 0 | 0 | 108.3 | H227 S231 R232 | H227-E229 PolarHBondContact O-N 3.13Å; E229-S231 PolarHBondContact O-N 3.05Å; E229-R232 IonicContact OE2-NH2 2.76Å | ||
| 230 | P | 60.8 | Low | 57.9 | Low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | trans | -52.6 | 125.9 | -176.1 | 21.3 | -31.1 | 0 | 0 | 0 | 107.3 | R232 | P230-R232 WeakPolarHBondContact O-CG 3.37Å; P230-R232 PolarHBondContact O-N 3.03Å | ||
| 231 | S | 59 | Low | 59.1 | Low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 63% | 0.629 | S | S | * | * | trans | -49.9 | 104.4 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | E229 T233 | E229-S231 PolarHBondContact O-N 3.05Å; S231-T233 PolarHBondContact O-N 3.07Å | ||
| 232 | R | 60 | Low | 60.3 | Low | 136 Ų | 136 | 116.9 Ų | 116.9 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | trans | -66.6 | 108.9 | -172.3 | -62.2 | -170.6 | -179 | -173.3 | -1.6 | 106.6 | E229 P230 I237 R240 | E229-R232 IonicContact OE2-NH2 2.76Å; P230-R232 WeakPolarHBondContact O-CG 3.37Å; P230-R232 PolarHBondContact O-N 3.03Å; R232-I237 HydrophobicContact CB-CG1 4.31Å; R232-R240 VanDerWaalsContact NH1-NH1 3.17Å | ||
| 233 | T | 68.5 | Low | 61 | Low | 79 Ų | 79 | 119.7 Ų | 119.7 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | trans | -60.5 | 150.2 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 108.9 | S231 E235 S236 I237 | S231-T233 PolarHBondContact O-N 3.07Å; T233-E235 PolarHBondContact O-N 3.46Å; T233-E235 VanDerWaalsContact O-N 3.14Å; T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.63Å; T233-I237 PolarHBondContact O-N 3.37Å | ||
| 234 | W | 67.1 | Low | 62 | Low | 198 Ų | 198 | 120.6 Ų | 120.6 | 75% | 0.75 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -53.9 | -35.1 | -179.9 | -178 | -113.4 | 0 | 0 | 0 | 112.1 | I237 C238 | W234-I237 HydrophobicContact CE3-CD1 4.32Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.11Å; W234-I237 VanDerWaalsContact O-N 3.15Å; W234-C238 PolarHBondContact O-N 3.41Å; W234-C238 PolarHBondContact O-SG 3.42Å |
| 235 | E | 68.3 | Low | 63.2 | Low | 144 Ų | 144 | 120.6 Ų | 120.6 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59 | -47.2 | 174.8 | -65.4 | 167.2 | 174.4 | 0 | 0 | 112.2 | T233 I237 C238 D239 | T233-E235 PolarHBondContact O-N 3.46Å; T233-E235 VanDerWaalsContact O-N 3.14Å; E235-I237 PolarHBondContact O-N 3.2Å; E235-C238 WeakPolarHBondContact O-CB 3.31Å; E235-C238 PolarHBondContact O-N 2.64Å; E235-C238 VanDerWaalsContact O-N 3.11Å; E235-D239 PolarHBondContact O-N 3.44Å |
| 236 | S | 64.3 | Low | 64.2 | Low | 59 Ų | 59 | 120 Ų | 120 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.2 | -24.3 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | T233 R240 | T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.63Å; S236-R240 WeakPolarHBondContact O-CG 3.38Å |
| 237 | I | 67.9 | Low | 65.2 | Low | 70 Ų | 70 | 122 Ų | 122 | 36% | 0.359 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -76.9 | -38.3 | 174.8 | -62.4 | 170.3 | 0 | 0 | 0 | 110.5 | R232 T233 W234 E235 D239 R240 | R232-I237 HydrophobicContact CB-CG1 4.31Å; T233-I237 PolarHBondContact O-N 3.37Å; W234-I237 HydrophobicContact CE3-CD1 4.32Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.11Å; W234-I237 VanDerWaalsContact O-N 3.15Å; E235-I237 PolarHBondContact O-N 3.2Å; I237-D239 VanDerWaalsContact C-N 3.3Å; I237-D239 PolarHBondContact O-N 3.3Å; I237-R240 PolarHBondContact O-N 3.49Å |
| 238 | C | 66.1 | Low | 65.9 | Low | 48 Ų | 48 | 125.1 Ų | 125.1 | 32% | 0.324 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.8 | -27.2 | 178 | -69.8 | 0 | 0 | 0 | 0 | 113.5 | W234 E235 R245 | W234-C238 PolarHBondContact O-N 3.41Å; W234-C238 PolarHBondContact O-SG 3.42Å; E235-C238 WeakPolarHBondContact O-CB 3.31Å; E235-C238 PolarHBondContact O-N 2.64Å; E235-C238 VanDerWaalsContact O-N 3.11Å; C238-R245 PolarHBondContact O-NH1 3.39Å; C238-R245 PolarHBondContact O-NH2 2.94Å |
| 239 | D | 67.9 | Low | 66.2 | Low | 117 Ų | 117 | 122 Ų | 122 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -0.6 | 179.3 | -68.5 | -31.4 | 0 | 0 | 0 | 114.3 | E235 I237 | E235-D239 PolarHBondContact O-N 3.44Å; I237-D239 VanDerWaalsContact C-N 3.3Å; I237-D239 PolarHBondContact O-N 3.3Å |
| 240 | R | 69.6 | Low | 66.6 | Low | 100 Ų | 100 | 128.1 Ų | 128.1 | 38% | 0.377 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -66.4 | 141.4 | 174.6 | -62.5 | -165.5 | -164.7 | 165.8 | 17.2 | 110.7 | R232 S236 I237 N242 | R232-R240 VanDerWaalsContact NH1-NH1 3.17Å; S236-R240 WeakPolarHBondContact O-CG 3.38Å; I237-R240 PolarHBondContact O-N 3.49Å; R240-N242 PolarHBondContact O-N 2.88Å |
| 241 | P | 68.9 | Low | 66.3 | Low | 140 Ų | 140 | 126.9 Ų | 126.9 | 91% | 0.909 | 65% | 0.648 | S | S | * | * | trans | -56.6 | 112.1 | 164.5 | -18 | 29.8 | 0 | 0 | 0 | 108.1 | ||||
| 242 | N | 71.9 | Confident | 66 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 44% | 0.439 | 64% | 0.639 | S | S | . | * | trans | -119.5 | 145.1 | 172.6 | 82.5 | 18.5 | 0 | 0 | 0 | 108.4 | R240 N244 R245 | R240-N242 PolarHBondContact O-N 2.88Å; N242-N244 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact OD1-N 3.26Å; N242-R245 WeakPolarHBondContact OD1-CA 3.29Å; N242-R245 WeakPolarHBondContact OD1-CB 3.42Å; N242-R245 WeakPolarHBondContact OD1-CG 3.3Å; N242-R245 PolarHBondContact OD1-N 3.1Å | ||
| 243 | F | 65.7 | Low | 65.8 | Low | 210 Ų | 210 | 127.1 Ų | 127.1 | 92% | 0.921 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -9.3 | -177.2 | -145.1 | -92.3 | 0 | 0 | 0 | 112.5 | ||
| 244 | N | 72 | Confident | 64.8 | Low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 2.2 | -176 | -62.3 | -24.7 | 0 | 0 | 0 | 113.1 | N242 | N242-N244 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact OD1-N 3.26Å |
| 245 | R | 74.3 | Confident | 63.9 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -91.6 | 135.5 | 174.6 | -102.6 | 177.5 | 156.6 | -171.5 | -2.2 | 109.1 | C238 N242 | C238-R245 PolarHBondContact O-NH1 3.39Å; C238-R245 PolarHBondContact O-NH2 2.94Å; N242-R245 WeakPolarHBondContact OD1-CA 3.29Å; N242-R245 WeakPolarHBondContact OD1-CB 3.42Å; N242-R245 WeakPolarHBondContact OD1-CG 3.3Å; N242-R245 PolarHBondContact OD1-N 3.1Å |
| 246 | T | 69.4 | Low | 62.8 | Low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -54.9 | 133.5 | 170.7 | -7.5 | 0 | 0 | 0 | 0 | 109.3 | R248 | T246-R248 PolarHBondContact O-N 3.03Š| ||
| 247 | P | 66.3 | Low | 61.8 | Low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | trans | -57.8 | 113.2 | 179.9 | 20.8 | -31.1 | 0 | 0 | 0 | 109.5 | G249 | P247-G249 PolarHBondContact O-N 3.29Š| ||
| 248 | R | 64.1 | Low | 60.8 | Low | 235 Ų | 235 | 135.3 Ų | 135.3 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | -77.1 | 107.6 | 171.6 | -138.7 | 173.4 | 177.4 | -178.4 | -2.8 | 105.1 | T246 | T246-R248 PolarHBondContact O-N 3.03Š| ||
| 249 | G | 65.7 | Low | 59.9 | Low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | -53.5 | 162.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P247 A251 | P247-G249 PolarHBondContact O-N 3.29Å; G249-A251 PolarHBondContact O-N 3.47Å | ||
| 250 | W | 61.3 | Low | 59 | Low | 266 Ų | 266 | 142.1 Ų | 142.1 | 100% | 1.008 | 74% | 0.744 | S | S | * | * | trans | -70.3 | 81.3 | 175.6 | -63.6 | 64.7 | 0 | 0 | 0 | 108.8 | A252 | W250-A252 PolarHBondContact O-N 3.28Š| ||
| 251 | A | 53.5 | Low | 58 | Low | 77 Ų | 77 | 143.1 Ų | 143.1 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -73.9 | 111.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G249 H253 | G249-A251 PolarHBondContact O-N 3.47Å; A251-H253 PolarHBondContact O-N 2.95Å | ||
| 252 | A | 54 | Low | 57 | Low | 72 Ų | 72 | 143.6 Ų | 143.6 | 60% | 0.595 | 76% | 0.762 | S | S | * | * | trans | -65.4 | 116.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | W250 Y254 | W250-A252 PolarHBondContact O-N 3.28Å; A252-Y254 HydrophobicContact CB-CE2 4.24Å; A252-Y254 PolarHBondContact O-N 2.8Å | ||
| 253 | H | 54.7 | Low | 55.6 | Low | 178 Ų | 178 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 98.1 | 167.5 | -66.9 | -80.3 | 0 | 0 | 0 | 107.4 | A251 T255 | A251-H253 PolarHBondContact O-N 2.95Å; H253-T255 PolarHBondContact O-N 3.47Å | ||
| 254 | Y | 47.3 | Very low | 55.1 | Low | 218 Ų | 218 | 148.6 Ų | 148.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 106.9 | 163.1 | -71.5 | -82.6 | 0 | 0 | 0 | 107.5 | A252 A256 | A252-Y254 HydrophobicContact CB-CE2 4.24Å; A252-Y254 PolarHBondContact O-N 2.8Å; Y254-A256 PolarHBondContact O-N 3.27Å | ||
| 255 | T | 48.4 | Very low | 54.2 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -72.2 | 111.2 | 163 | 42.4 | 0 | 0 | 0 | 0 | 107.3 | H253 E257 | H253-T255 PolarHBondContact O-N 3.47Å; T255-E257 PolarHBondContact O-N 2.9Å | ||
| 256 | A | 46.2 | Very low | 53.1 | Low | 91 Ų | 91 | 149.4 Ų | 149.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -72 | 110.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y254 T258 | Y254-A256 PolarHBondContact O-N 3.27Å; A256-T258 PolarHBondContact O-N 3.35Å; A256-T258 VanDerWaalsContact O-N 3.13Å | ||
| 257 | E | 42 | Very low | 52.1 | Low | 166 Ų | 166 | 150.5 Ų | 150.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -55.9 | 111.4 | 165.9 | -63.5 | -70.2 | 157.5 | 0 | 0 | 107.8 | T255 E259 | T255-E257 PolarHBondContact O-N 2.9Å; E257-E259 PolarHBondContact O-N 2.89Å | ||
| 258 | T | 48.6 | Very low | 51.2 | Low | 130 Ų | 130 | 152.2 Ų | 152.2 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | -76.4 | 99.6 | 167.3 | 45.8 | 0 | 0 | 0 | 0 | 107.5 | A256 T260 | A256-T258 PolarHBondContact O-N 3.35Å; A256-T258 VanDerWaalsContact O-N 3.13Å; T258-T260 PolarHBondContact O-N 3.45Å | ||
| 259 | E | 46.5 | Very low | 50.4 | Low | 181 Ų | 181 | 146.7 Ų | 146.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 123.2 | 166.8 | -73.7 | -178.1 | 157.8 | 0 | 0 | 109.5 | E257 S261 | E257-E259 PolarHBondContact O-N 2.89Å; E259-S261 PolarHBondContact O-N 2.88Å | ||
| 260 | T | 49.3 | Very low | 49.3 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -72 | 115.7 | 173.2 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | T258 D262 | T258-T260 PolarHBondContact O-N 3.45Å; T260-D262 PolarHBondContact O-N 3.45Å | ||
| 261 | S | 48.7 | Very low | 48.4 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -84.7 | 101.3 | 167.7 | -47.8 | 0 | 0 | 0 | 0 | 109.6 | E259 | E259-S261 PolarHBondContact O-N 2.88Š| ||
| 262 | D | 47.8 | Very low | 48 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -104.1 | 112 | 159.2 | -87.6 | -26.9 | 0 | 0 | 0 | 108.3 | T260 | T260-D262 PolarHBondContact O-N 3.45Š| ||
| 263 | L | 41.9 | Very low | 47.4 | Very low | 248 Ų | 248 | 157 Ų | 157 | 100% | 1.298 | 85% | 0.845 | S | S | * | * | trans | 160.9 | 0 | 142.5 | -87 | 164.3 | 0 | 0 | 0 | 111.3 |
Retrieved 263 of 263 residues in 530.7 ms
(Link to these results)