| 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 | 58.5 | Low | 60.2 | Low | 196 Ų | 196 | 119.9 Ų | 119.9 | 97% | 0.966 | 60% | 0.595 | S | S | * | * | 0 | -40.2 | 0 | -165.1 | 166.6 | -112.7 | 0 | 0 | 111.9 | |||||
| 2 | A | 58.6 | Low | 60.2 | Low | 77 Ų | 77 | 121.3 Ų | 121.3 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q4 Y5 Q6 | A2-Q4 PolarHBondContact O-N 3.36Å; A2-Y5 PolarHBondContact O-N 3.15Å; A2-Q6 PolarHBondContact O-N 3.4Å |
| 3 | D | 59.3 | Low | 59.9 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.2 | -34 | -177.2 | -54.9 | -61.1 | 0 | 0 | 0 | 113.9 | Q6 Y7 | D3-Q6 PolarHBondContact O-N 3.09Å; D3-Y7 WeakPolarHBondContact O-CB 3.44Å; D3-Y7 PolarHBondContact O-N 3.05Å |
| 4 | Q | 56.7 | Low | 59.6 | Low | 149 Ų | 149 | 125.7 Ų | 125.7 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.2 | -35 | 175.6 | -77.8 | -138.9 | -61.6 | 0 | 0 | 112.7 | A2 N8 | A2-Q4 PolarHBondContact O-N 3.36Å; Q4-N8 PolarHBondContact O-N 3.36Å; Q4-N8 VanDerWaalsContact O-N 3.07Å |
| 5 | Y | 59.3 | Low | 59.4 | Low | 177 Ų | 177 | 124 Ų | 124 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.8 | -39.8 | 174.1 | -99.7 | -89.7 | 0 | 0 | 0 | 111.6 | A2 T9 | A2-Y5 PolarHBondContact O-N 3.15Å; Y5-T9 WeakPolarHBondContact O-CB 3.42Å; Y5-T9 PolarHBondContact O-N 3.13Å; Y5-T9 PolarHBondContact O-OG1 3.36Å |
| 6 | Q | 60 | Low | 59 | Low | 128 Ų | 128 | 126.3 Ų | 126.3 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -35.6 | 177.7 | -165 | 157.4 | -95.8 | 0 | 0 | 111.9 | A2 D3 N10 | A2-Q6 PolarHBondContact O-N 3.4Å; D3-Q6 PolarHBondContact O-N 3.09Å; Q6-N10 WeakPolarHBondContact O-CB 3.5Å; Q6-N10 VanDerWaalsContact O-CG 3.22Å; Q6-N10 PolarHBondContact O-N 3.24Å; Q6-N10 PolarHBondContact O-ND2 3.42Å |
| 7 | Y | 58 | Low | 58.7 | Low | 137 Ų | 137 | 125.2 Ų | 125.2 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.1 | -51.6 | 172.9 | -174.4 | -95.1 | 0 | 0 | 0 | 111.9 | D3 T9 N10 E11 | D3-Y7 WeakPolarHBondContact O-CB 3.44Å; D3-Y7 PolarHBondContact O-N 3.05Å; Y7-T9 VanDerWaalsContact C-N 3.32Å; Y7-T9 PolarHBondContact O-N 3.29Å; Y7-N10 PolarHBondContact O-N 3.26Å; Y7-E11 HydrophobicContact CD1-CG 4.28Å; Y7-E11 HydrophobicContact CE1-CG 3.88Å; Y7-E11 WeakPolarHBondContact CE1-OE1 3.48Å; Y7-E11 WeakPolarHBondContact CE1-OE2 3.24Å; Y7-E11 VanDerWaalsContact CZ-CD 3.49Å; Y7-E11 PolarHBondContact O-N 2.91Å; Y7-E11 PolarHBondContact OH-OE1 3.31Å |
| 8 | N | 62.2 | Low | 58.6 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 46% | 0.46 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.6 | -40.6 | 176.6 | -77.8 | 10 | 0 | 0 | 0 | 112.1 | Q4 N10 E11 E12 | Q4-N8 PolarHBondContact O-N 3.36Å; Q4-N8 VanDerWaalsContact O-N 3.07Å; N8-N10 VanDerWaalsContact C-N 3.32Å; N8-N10 PolarHBondContact O-N 3.14Å; N8-E11 PolarHBondContact O-N 3.47Å; N8-E12 WeakPolarHBondContact O-CB 3.46Å; N8-E12 VanDerWaalsContact O-CG 3.24Å; N8-E12 WeakPolarHBondContact O-CG 3.37Å; N8-E12 PolarHBondContact O-N 2.97Å |
| 9 | T | 67.4 | Low | 58.4 | Low | 61 Ų | 61 | 125.3 Ų | 125.3 | 37% | 0.374 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.7 | -35.5 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | Y5 Y7 K13 | Y5-T9 WeakPolarHBondContact O-CB 3.42Å; Y5-T9 PolarHBondContact O-N 3.13Å; Y5-T9 PolarHBondContact O-OG1 3.36Å; Y7-T9 VanDerWaalsContact C-N 3.32Å; Y7-T9 PolarHBondContact O-N 3.29Å; T9-K13 WeakPolarHBondContact O-CB 3.37Å; T9-K13 WeakPolarHBondContact O-CG 3.47Å; T9-K13 PolarHBondContact O-N 3.49Å |
| 10 | N | 62.5 | Low | 58.2 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.5 | -37.7 | 177.1 | -73.8 | -35.7 | 0 | 0 | 0 | 112 | Q6 Y7 N8 K13 F14 | Q6-N10 WeakPolarHBondContact O-CB 3.5Å; Q6-N10 VanDerWaalsContact O-CG 3.22Å; Q6-N10 PolarHBondContact O-N 3.24Å; Q6-N10 PolarHBondContact O-ND2 3.42Å; Y7-N10 PolarHBondContact O-N 3.26Å; N8-N10 VanDerWaalsContact C-N 3.32Å; N8-N10 PolarHBondContact O-N 3.14Å; N10-K13 PolarHBondContact O-N 3.08Å; N10-F14 WeakPolarHBondContact O-CB 3.29Å; N10-F14 PolarHBondContact O-N 3.4Å |
| 11 | E | 60 | Low | 58.5 | Low | 88 Ų | 88 | 125.3 Ų | 125.3 | 41% | 0.411 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.5 | -44.5 | 171.5 | -75.2 | -169.3 | 144.3 | 0 | 0 | 111.4 | Y7 N8 K13 F14 V15 | Y7-E11 HydrophobicContact CD1-CG 4.28Å; Y7-E11 HydrophobicContact CE1-CG 3.88Å; Y7-E11 WeakPolarHBondContact CE1-OE1 3.48Å; Y7-E11 WeakPolarHBondContact CE1-OE2 3.24Å; Y7-E11 VanDerWaalsContact CZ-CD 3.49Å; Y7-E11 PolarHBondContact O-N 2.91Å; Y7-E11 PolarHBondContact OH-OE1 3.31Å; N8-E11 PolarHBondContact O-N 3.47Å; E11-K13 PolarHBondContact O-N 3.39Å; E11-F14 PolarHBondContact O-N 3.29Å; E11-V15 WeakPolarHBondContact O-CB 3.27Å; E11-V15 WeakPolarHBondContact O-CG2 3.21Å; E11-V15 PolarHBondContact O-N 3.14Å |
| 12 | E | 59.5 | Low | 59 | Low | 137 Ų | 137 | 125.2 Ų | 125.2 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.8 | -40.1 | 176 | -73.4 | -178.7 | 125.9 | 0 | 0 | 112 | N8 K16 | N8-E12 WeakPolarHBondContact O-CB 3.46Å; N8-E12 VanDerWaalsContact O-CG 3.24Å; N8-E12 WeakPolarHBondContact O-CG 3.37Å; N8-E12 PolarHBondContact O-N 2.97Å; E12-K16 VanDerWaalsContact O-CB 3.25Å; E12-K16 WeakPolarHBondContact O-CB 3.12Å; E12-K16 PolarHBondContact O-N 2.94Å |
| 13 | K | 56.5 | Low | 59.8 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -44.1 | 172 | -86 | -176.3 | 176.4 | -178.2 | 0 | 112 | T9 N10 E11 V15 K16 D17 | T9-K13 WeakPolarHBondContact O-CB 3.37Å; T9-K13 WeakPolarHBondContact O-CG 3.47Å; T9-K13 PolarHBondContact O-N 3.49Å; N10-K13 PolarHBondContact O-N 3.08Å; E11-K13 PolarHBondContact O-N 3.39Å; K13-V15 PolarHBondContact O-N 3.47Å; K13-K16 PolarHBondContact O-N 3.16Å; K13-D17 WeakPolarHBondContact O-CB 3.14Å; K13-D17 PolarHBondContact O-N 3.38Å |
| 14 | F | 56 | Low | 60.6 | Low | 160 Ų | 160 | 126.4 Ų | 126.4 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -40.2 | -179.3 | -170.1 | -94.6 | 0 | 0 | 0 | 112 | N10 E11 S18 | N10-F14 WeakPolarHBondContact O-CB 3.29Å; N10-F14 PolarHBondContact O-N 3.4Å; E11-F14 PolarHBondContact O-N 3.29Å; F14-S18 WeakPolarHBondContact O-CB 3.36Å; F14-S18 PolarHBondContact O-N 2.82Å; F14-S18 VanDerWaalsContact O-N 3.11Å |
| 15 | V | 56.8 | Low | 61.7 | Low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.606 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -39.9 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | E11 K13 | E11-V15 WeakPolarHBondContact O-CB 3.27Å; E11-V15 WeakPolarHBondContact O-CG2 3.21Å; E11-V15 PolarHBondContact O-N 3.14Å; K13-V15 PolarHBondContact O-N 3.47Å |
| 16 | K | 53.1 | Low | 62.5 | Low | 160 Ų | 160 | 124.3 Ų | 124.3 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.4 | -34.5 | 179.7 | -152.8 | 175 | -172.2 | -180 | 0 | 112.8 | E12 K13 T20 | E12-K16 VanDerWaalsContact O-CB 3.25Å; E12-K16 WeakPolarHBondContact O-CB 3.12Å; E12-K16 PolarHBondContact O-N 2.94Å; K13-K16 PolarHBondContact O-N 3.16Å; K16-T20 PolarHBondContact O-N 3.37Å; K16-T20 PolarHBondContact O-OG1 2.78Å |
| 17 | D | 53.6 | Low | 63.6 | Low | 108 Ų | 108 | 121.8 Ų | 121.8 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -73 | -33.5 | 177.7 | -161.4 | 55 | 0 | 0 | 0 | 111.9 | K13 H19 T20 K21 | K13-D17 WeakPolarHBondContact O-CB 3.14Å; K13-D17 PolarHBondContact O-N 3.38Å; D17-H19 PolarHBondContact O-N 2.84Å; D17-T20 PolarHBondContact O-N 3.33Å; D17-K21 PolarHBondContact O-N 2.83Å |
| 18 | S | 56.4 | Low | 64.7 | Low | 76 Ų | 76 | 124.9 Ų | 124.9 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.1 | -29.3 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 113.5 | F14 | F14-S18 WeakPolarHBondContact O-CB 3.36Å; F14-S18 PolarHBondContact O-N 2.82Å; F14-S18 VanDerWaalsContact O-N 3.11Å |
| 19 | H | 55.2 | Low | 65.6 | Low | 177 Ų | 177 | 122.5 Ų | 122.5 | 82% | 0.819 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -92 | -11.7 | 179.1 | -109.8 | -73.7 | 0 | 0 | 0 | 113.8 | D17 | D17-H19 PolarHBondContact O-N 2.84Å |
| 20 | T | 55 | Low | 66.4 | Low | 95 Ų | 95 | 124 Ų | 124 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | trans | -126.2 | 36.5 | -172.6 | -30.8 | 0 | 0 | 0 | 0 | 111.6 | K16 D17 E22 | K16-T20 PolarHBondContact O-N 3.37Å; K16-T20 PolarHBondContact O-OG1 2.78Å; D17-T20 PolarHBondContact O-N 3.33Å; T20-E22 PolarHBondContact O-N 2.8Å; T20-E22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | K | 64.1 | Low | 67.4 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 67% | 0.674 | 63% | 0.625 | S | S | * | * | trans | -63.9 | 115.4 | 169.6 | -68.3 | -173.1 | 178.9 | 176.9 | 0 | 108.2 | D17 I23 | D17-K21 PolarHBondContact O-N 2.83Å; K21-I23 PolarHBondContact O-N 3.01Å; K21-I23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | E | 69.4 | Low | 68.4 | Low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 63% | 0.627 | S | S | * | * | trans | -58.9 | 117.5 | 174.6 | -64.1 | -169 | 109.4 | 0 | 0 | 108.6 | T20 | T20-E22 PolarHBondContact O-N 2.8Å; T20-E22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | I | 75.3 | Confident | 69.6 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | trans | -77.8 | 124.2 | 177.4 | 50.1 | 168 | 0 | 0 | 0 | 109 | K21 L25 | K21-I23 PolarHBondContact O-N 3.01Å; K21-I23 VanDerWaalsContact O-N 3.13Å; I23-L25 HydrophobicContact CD1-CD2 3.91Å; I23-L25 HydrophobicContact CG1-CD2 4.25Å; I23-L25 PolarHBondContact O-N 3.35Å | ||
| 24 | D | 76.2 | Confident | 70.9 | Confident | 90 Ų | 90 | 123.7 Ų | 123.7 | 48% | 0.481 | 62% | 0.616 | S | S | . | * | trans | -72.3 | 112.5 | 172.5 | -171 | -15.5 | 0 | 0 | 0 | 109.2 | I26 N27 | D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 WeakPolarHBondContact OD1-CA 3.1Å; D24-I26 WeakPolarHBondContact OD1-CB 3.46Å; D24-I26 PolarHBondContact OD1-N 2.98Å; D24-N27 PolarHBondContact OD1-N 3.31Å; D24-N27 WeakPolarHBondContact OD2-CB 3.13Å | ||
| 25 | L | 79 | Confident | 71.9 | Confident | 118 Ų | 118 | 120.2 Ų | 120.2 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -81.1 | -18.6 | -179.6 | -62.9 | 175.4 | 0 | 0 | 0 | 112.6 | I23 R28 | I23-L25 HydrophobicContact CD1-CD2 3.91Å; I23-L25 HydrophobicContact CG1-CD2 4.25Å; I23-L25 PolarHBondContact O-N 3.35Å; L25-R28 PolarHBondContact O-NE 3.32Å |
| 26 | I | 77.4 | Confident | 72.6 | Confident | 164 Ų | 164 | 121.8 Ų | 121.8 | 84% | 0.841 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -92.6 | -54.6 | -176 | -55.8 | 174.2 | 0 | 0 | 0 | 109.1 | D24 | D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 WeakPolarHBondContact OD1-CA 3.1Å; D24-I26 WeakPolarHBondContact OD1-CB 3.46Å; D24-I26 PolarHBondContact OD1-N 2.98Å |
| 27 | N | 81.2 | Confident | 73.4 | Confident | 74 Ų | 74 | 119.7 Ų | 119.7 | 40% | 0.396 | 61% | 0.607 | S | S | . | * | trans | -101.3 | 96 | 175.1 | -171.2 | -2.5 | 0 | 0 | 0 | 111.4 | D24 D29 | D24-N27 PolarHBondContact OD1-N 3.31Å; D24-N27 WeakPolarHBondContact OD2-CB 3.13Å; N27-D29 PolarHBondContact OD1-N 3.47Å; N27-D29 VanDerWaalsContact OD1-N 3.16Å; N27-D29 PolarHBondContact OD1-O 2.88Å | ||
| 28 | R | 81.1 | Confident | 74.2 | Confident | 202 Ų | 202 | 119.6 Ų | 119.6 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -85.7 | -9.2 | -179.6 | -61.1 | -177.7 | -177.5 | -165.4 | -3 | 114.1 | L25 P30 | L25-R28 PolarHBondContact O-NE 3.32Å; R28-P30 VanDerWaalsContact C-CD 3.46Å |
| 29 | D | 82.6 | Confident | 74.8 | Confident | 36 Ų | 36 | 121.8 Ų | 121.8 | 19% | 0.193 | 61% | 0.606 | C | S | . | * | trans | -128.2 | 65.4 | 174.8 | -173.2 | 15.4 | 0 | 0 | 0 | 110.8 | N27 K31 L32 I33 N34 | N27-D29 PolarHBondContact OD1-N 3.47Å; N27-D29 VanDerWaalsContact OD1-N 3.16Å; N27-D29 PolarHBondContact OD1-O 2.88Å; D29-K31 PolarHBondContact O-N 2.94Å; D29-K31 VanDerWaalsContact O-N 3.09Å; D29-L32 WeakPolarHBondContact O-CD2 3.3Å; D29-L32 PolarHBondContact O-N 3.38Å; D29-L32 VanDerWaalsContact O-N 3.07Å; D29-L32 PolarHBondContact OD1-N 3.34Å; D29-L32 VanDerWaalsContact OD2-C 3.29Å; D29-L32 WeakPolarHBondContact OD2-CA 3.2Å; D29-I33 VanDerWaalsContact CG-N 3.34Å; D29-I33 PolarHBondContact OD1-N 3.26Å; D29-I33 PolarHBondContact OD2-N 3.42Å; D29-N34 PolarHBondContact OD2-N 2.71Å | ||
| 30 | P | 82.7 | Confident | 75.8 | Confident | 92 Ų | 92 | 117 Ų | 117 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14.1 | -177.5 | 28.2 | -36.4 | 0 | 0 | 0 | 113.6 | R28 | R28-P30 VanDerWaalsContact C-CD 3.46Š|
| 31 | K | 83.7 | Confident | 77.1 | Confident | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 1.5 | 179 | -67.7 | -178.3 | -178.2 | -179.4 | 0 | 112.6 | D29 I33 | D29-K31 PolarHBondContact O-N 2.94Å; D29-K31 VanDerWaalsContact O-N 3.09Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 3.73Å; K31-I33 HydrophobicContact CD-CD1 4.23Å; K31-I33 PolarHBondContact O-N 3.21Å |
| 32 | L | 82.6 | Confident | 78 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | trans | 53.4 | 34.8 | 178.6 | -48.9 | 179.3 | 0 | 0 | 0 | 112.6 | D29 N34 E35 | D29-L32 WeakPolarHBondContact O-CD2 3.3Å; D29-L32 PolarHBondContact O-N 3.38Å; D29-L32 VanDerWaalsContact O-N 3.07Å; D29-L32 PolarHBondContact OD1-N 3.34Å; D29-L32 VanDerWaalsContact OD2-C 3.29Å; D29-L32 WeakPolarHBondContact OD2-CA 3.2Å; L32-N34 PolarHBondContact O-N 2.86Å; L32-E35 HydrophobicContact CB-CB 4.3Å; L32-E35 HydrophobicContact CB-CG 3.76Å; L32-E35 HydrophobicContact CD2-CG 3.78Å; L32-E35 WeakPolarHBondContact CD2-OE1 3.34Å; L32-E35 HydrophobicContact CG-CG 4.23Å | ||
| 33 | I | 84.7 | Confident | 78.7 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -67.2 | -28.9 | -176.3 | -61.7 | 169.4 | 0 | 0 | 0 | 110.4 | D29 K31 | D29-I33 VanDerWaalsContact CG-N 3.34Å; D29-I33 PolarHBondContact OD1-N 3.26Å; D29-I33 PolarHBondContact OD2-N 3.42Å; K31-I33 HydrophobicContact CB-CD1 3.9Å; K31-I33 HydrophobicContact CB-CG1 3.73Å; K31-I33 HydrophobicContact CD-CD1 4.23Å; K31-I33 PolarHBondContact O-N 3.21Å |
| 34 | N | 83.1 | Confident | 79 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -112.4 | 3.5 | -173.4 | -70.6 | 103.9 | 0 | 0 | 0 | 113.9 | D29 L32 D36 V37 I38 | D29-N34 PolarHBondContact OD2-N 2.71Å; L32-N34 PolarHBondContact O-N 2.86Å; N34-D36 PolarHBondContact O-N 3.4Å; N34-V37 PolarHBondContact O-N 3.48Å; N34-I38 HydrophobicContact CB-CD1 3.76Å; N34-I38 HydrophobicContact CB-CG1 4.29Å; N34-I38 PolarHBondContact O-N 2.74Å |
| 35 | E | 76.8 | Confident | 79.3 | Confident | 86 Ų | 86 | 104.2 Ų | 104.2 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -48.2 | -176 | -86 | -159.2 | 157 | 0 | 0 | 112.6 | L32 K39 | L32-E35 HydrophobicContact CB-CB 4.3Å; L32-E35 HydrophobicContact CB-CG 3.76Å; L32-E35 HydrophobicContact CD2-CG 3.78Å; L32-E35 WeakPolarHBondContact CD2-OE1 3.34Å; L32-E35 HydrophobicContact CG-CG 4.23Å; E35-K39 WeakPolarHBondContact O-CD 3.38Å; E35-K39 WeakPolarHBondContact O-CE 3.47Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-NZ 3.38Å |
| 36 | D | 70.9 | Confident | 79.5 | Confident | 133 Ų | 133 | 102.9 Ų | 102.9 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -11.5 | -171.3 | -60 | -37.6 | 0 | 0 | 0 | 114 | N34 K39 | N34-D36 PolarHBondContact O-N 3.4Å; D36-K39 IonicContact OD1-NZ 3.95Å; D36-K39 PolarHBondContact OD1-NZ 3.4Å |
| 37 | V | 69.8 | Low | 79.7 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 70% | 0.703 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -27.7 | -175.4 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | N34 | N34-V37 PolarHBondContact O-N 3.48Š|
| 38 | I | 70.3 | Confident | 79.8 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 55% | 0.549 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -107.6 | -0.5 | -171.4 | -50.6 | -177.5 | 0 | 0 | 0 | 112.6 | N34 V40 | N34-I38 HydrophobicContact CB-CD1 3.76Å; N34-I38 HydrophobicContact CB-CG1 4.29Å; N34-I38 PolarHBondContact O-N 2.74Å; I38-V40 PolarHBondContact O-N 2.88Å |
| 39 | K | 70.4 | Confident | 79.8 | Confident | 122 Ų | 122 | 91.7 Ų | 91.7 | 53% | 0.53 | 49% | 0.488 | S | S | . | . | trans | -73.8 | 71.2 | 171.7 | -72.3 | 165.4 | -169.5 | 159.2 | 0 | 110.4 | E35 D36 | E35-K39 WeakPolarHBondContact O-CD 3.38Å; E35-K39 WeakPolarHBondContact O-CE 3.47Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-NZ 3.38Å; D36-K39 IonicContact OD1-NZ 3.95Å; D36-K39 PolarHBondContact OD1-NZ 3.4Å | ||
| 40 | V | 75.9 | Confident | 79.3 | Confident | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | trans | -106 | 108.2 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | I38 V45 | I38-V40 PolarHBondContact O-N 2.88Å; V40-V45 HydrophobicContact CG1-CG2 3.44Å; V40-V45 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 41 | E | 81.8 | Confident | 78.8 | Confident | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | trans | -89.9 | 162.8 | 178.6 | -59.8 | -170.5 | 108.4 | 0 | 0 | 110.9 | E43 D44 V45 | E41-E43 PolarHBondContact O-N 3.29Å; E41-D44 WeakPolarHBondContact CB-OD2 3.47Å; E41-D44 PolarHBondContact N-OD2 3.08Å; E41-D44 WeakPolarHBondContact O-CB 3.46Å; E41-D44 PolarHBondContact O-N 2.95Å; E41-D44 VanDerWaalsContact O-N 3.16Å; E41-V45 PolarHBondContact O-N 3.37Å | ||
| 42 | F | 83.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 93.2 Ų | 93.2 | 5% | 0.053 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 178.9 | 172.9 | -102.6 | 0 | 0 | 0 | 111.6 | D44 V45 I46 W59 S62 Y63 F66 | F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 3.19Å; F42-V45 PolarHBondContact O-N 3.21Å; F42-I46 HydrophobicContact CD2-CG1 4.2Å; F42-I46 HydrophobicContact CE2-CG1 3.69Å; F42-I46 HydrophobicContact CZ-CB 4.4Å; F42-I46 HydrophobicContact CZ-CG1 3.92Å; F42-I46 PolarHBondContact O-N 3.17Å; F42-I46 VanDerWaalsContact O-N 3.12Å; F42-W59 HydrophobicContact CD1-CH2 4.13Å; F42-W59 HydrophobicContact CD1-CZ2 4.06Å; F42-W59 AromaticContact CE1-CD2 3.99Å; F42-W59 HydrophobicContact CE1-CD2 3.99Å; F42-W59 AromaticContact CE1-CE2 3.92Å; F42-W59 AromaticContact CE1-CE3 3.83Å; F42-W59 HydrophobicContact CE1-CE3 3.83Å; F42-W59 AromaticContact CE1-CH2 3.56Å; F42-W59 HydrophobicContact CE1-CH2 3.56Å; F42-W59 AromaticContact CE1-CZ2 3.74Å; F42-W59 HydrophobicContact CE1-CZ2 3.74Å; F42-W59 AromaticContact CE1-CZ3 3.6Å; F42-W59 HydrophobicContact CE1-CZ3 3.6Å; F42-W59 HydrophobicContact CZ-CE3 4.33Å; F42-W59 HydrophobicContact CZ-CH2 4.4Å; F42-W59 HydrophobicContact CZ-CZ3 4.09Å; F42-S62 VanDerWaalsContact CZ-CB 3.5Å; F42-Y63 HydrophobicContact CB-CD2 3.67Å; F42-Y63 HydrophobicContact CB-CE2 4.17Å; F42-Y63 AromaticContact CD1-CD2 3.84Å; F42-Y63 HydrophobicContact CD1-CD2 3.84Å; F42-Y63 HydrophobicContact CD1-CG 4.39Å; F42-Y63 AromaticContact CG-CD2 3.98Å; F42-Y63 HydrophobicContact CG-CD2 3.98Å; F42-F66 HydrophobicContact CB-CD1 3.81Å; F42-F66 HydrophobicContact CB-CE1 4.21Å; F42-F66 HydrophobicContact CD2-CB 3.6Å; F42-F66 AromaticContact CD2-CD1 3.81Å; F42-F66 HydrophobicContact CD2-CD1 3.81Å; F42-F66 HydrophobicContact CD2-CD2 4.28Å; F42-F66 AromaticContact CD2-CG 3.64Å; F42-F66 HydrophobicContact CD2-CG 3.64Å; F42-F66 HydrophobicContact CE2-CB 4.09Å; F42-F66 HydrophobicContact CE2-CG 4.43Å; F42-F66 HydrophobicContact CG-CD1 4.3Å |
| 43 | E | 82.9 | Confident | 78.2 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -33.6 | 176.9 | -72 | 144.8 | 137.4 | 0 | 0 | 112.2 | E41 V45 A47 W59 | E41-E43 PolarHBondContact O-N 3.29Å; E43-V45 VanDerWaalsContact C-N 3.28Å; E43-V45 PolarHBondContact O-N 2.8Å; E43-A47 WeakPolarHBondContact O-CA 3.45Å; E43-A47 WeakPolarHBondContact O-CB 3.26Å; E43-A47 PolarHBondContact O-N 3.5Å; E43-W59 HydrophobicContact CG-CZ2 3.91Å |
| 44 | D | 81.6 | Confident | 78 | Confident | 100 Ų | 100 | 90.6 Ų | 90.6 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -25.2 | 175.7 | -61.7 | -39.8 | 0 | 0 | 0 | 113.1 | E41 F42 | E41-D44 WeakPolarHBondContact CB-OD2 3.47Å; E41-D44 PolarHBondContact N-OD2 3.08Å; E41-D44 WeakPolarHBondContact O-CB 3.46Å; E41-D44 PolarHBondContact O-N 2.95Å; E41-D44 VanDerWaalsContact O-N 3.16Å; F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 3.19Å |
| 45 | V | 82.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 93.5 Ų | 93.5 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -91.1 | -43.5 | -175.7 | 179 | 0 | 0 | 0 | 0 | 112.1 | V40 E41 F42 E43 F66 | V40-V45 HydrophobicContact CG1-CG2 3.44Å; V40-V45 VanDerWaalsContact CG1-CG2 3.44Å; E41-V45 PolarHBondContact O-N 3.37Å; F42-V45 PolarHBondContact O-N 3.21Å; E43-V45 VanDerWaalsContact C-N 3.28Å; E43-V45 PolarHBondContact O-N 2.8Å; V45-F66 HydrophobicContact CG2-CZ 4.15Å |
| 46 | I | 83.5 | Confident | 78.5 | Confident | 90 Ų | 90 | 95.2 Ų | 95.2 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -97.4 | -33.9 | -175 | -55.9 | -59.9 | 0 | 0 | 0 | 111.9 | F42 E48 W59 | F42-I46 HydrophobicContact CD2-CG1 4.2Å; F42-I46 HydrophobicContact CE2-CG1 3.69Å; F42-I46 HydrophobicContact CZ-CB 4.4Å; F42-I46 HydrophobicContact CZ-CG1 3.92Å; F42-I46 PolarHBondContact O-N 3.17Å; F42-I46 VanDerWaalsContact O-N 3.12Å; I46-E48 HydrophobicContact CG2-CG 4.31Å; I46-E48 PolarHBondContact O-N 3.43Å; I46-W59 HydrophobicContact CB-CH2 4.42Å; I46-W59 HydrophobicContact CB-CZ3 4.39Å; I46-W59 HydrophobicContact CG2-CH2 4.37Å; I46-W59 HydrophobicContact CG2-CZ3 3.92Å |
| 47 | A | 82.5 | Confident | 79.2 | Confident | 68 Ų | 68 | 91.4 Ų | 91.4 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | trans | 43.9 | 58.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E43 P49 | E43-A47 WeakPolarHBondContact O-CA 3.45Å; E43-A47 WeakPolarHBondContact O-CB 3.26Å; E43-A47 PolarHBondContact O-N 3.5Å; A47-P49 WeakPolarHBondContact O-CD 3.36Å | ||
| 48 | E | 83.4 | Confident | 80.1 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | trans | -63.6 | 125.8 | 174.8 | -80.6 | -175.4 | -168.9 | 0 | 0 | 110.7 | I46 S54 W59 | I46-E48 HydrophobicContact CG2-CG 4.31Å; I46-E48 PolarHBondContact O-N 3.43Å; E48-S54 VanDerWaalsContact CD-OG 3.24Å; E48-S54 VanDerWaalsContact OE1-CB 3.28Å; E48-S54 WeakPolarHBondContact OE1-CB 3.29Å; E48-S54 PolarHBondContact OE1-OG 2.96Å; E48-S54 WeakPolarHBondContact OE2-CB 3.47Å; E48-S54 PolarHBondContact OE2-N 3.12Å; E48-S54 PolarHBondContact OE2-OG 2.97Å; E48-W59 HydrophobicContact CB-CH2 3.97Å; E48-W59 HydrophobicContact CB-CZ3 3.86Å; E48-W59 HydrophobicContact CG-CE3 4.1Å; E48-W59 HydrophobicContact CG-CH2 4.03Å; E48-W59 HydrophobicContact CG-CZ3 3.43Å; E48-W59 VanDerWaalsContact CG-CZ3 3.43Å; E48-W59 WeakPolarHBondContact OE1-CZ3 3.38Å | ||
| 49 | P | 80.6 | Confident | 80.9 | Confident | 78 Ų | 78 | 87 Ų | 87 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | trans | -81.1 | 151.2 | -179.3 | 31.9 | -34.4 | 0 | 0 | 0 | 112.2 | A47 G51 T52 | A47-P49 WeakPolarHBondContact O-CD 3.36Å; P49-G51 PolarHBondContact O-N 3.43Å; P49-T52 PolarHBondContact O-N 2.86Å | ||
| 50 | D | 72.4 | Confident | 81.7 | Confident | 152 Ų | 152 | 88 Ų | 88 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -21.6 | -175.6 | -68 | -45.8 | 0 | 0 | 0 | 115.3 | H53 | D50-H53 WeakPolarHBondContact CA-NE2 3.28Å; D50-H53 PolarHBondContact O-CD2 3.15Å; D50-H53 IonicContact OD1-NE2 2.9Å |
| 51 | G | 72 | Confident | 82.4 | Confident | 76 Ų | 76 | 89.9 Ų | 89.9 | 78% | 0.784 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -14 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P49 | P49-G51 PolarHBondContact O-N 3.43Š|
| 52 | T | 71.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -148.4 | 78.9 | -174.3 | 25 | 0 | 0 | 0 | 0 | 110.4 | P49 | P49-T52 PolarHBondContact O-N 2.86Š|
| 53 | H | 81.7 | Confident | 83 | Confident | 117 Ų | 117 | 91 Ų | 91 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 136 | 175.5 | -75.7 | -102.8 | 0 | 0 | 0 | 111.8 | D50 | D50-H53 WeakPolarHBondContact CA-NE2 3.28Å; D50-H53 PolarHBondContact O-CD2 3.15Å; D50-H53 IonicContact OD1-NE2 2.9Å |
| 54 | S | 80.2 | Confident | 83.3 | Confident | 35 Ų | 35 | 89.8 Ų | 89.8 | 25% | 0.245 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 165.3 | 162.5 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | E48 D56 | E48-S54 VanDerWaalsContact CD-OG 3.24Å; E48-S54 VanDerWaalsContact OE1-CB 3.28Å; E48-S54 WeakPolarHBondContact OE1-CB 3.29Å; E48-S54 PolarHBondContact OE1-OG 2.96Å; E48-S54 WeakPolarHBondContact OE2-CB 3.47Å; E48-S54 PolarHBondContact OE2-N 3.12Å; E48-S54 PolarHBondContact OE2-OG 2.97Å; S54-D56 PolarHBondContact O-N 3.17Å |
| 55 | L | 84.5 | Confident | 83.8 | Confident | 140 Ų | 140 | 88.7 Ų | 88.7 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 133.6 | 175.8 | -65.3 | 171.7 | 0 | 0 | 0 | 110.2 | G57 V58 W59 | L55-G57 PolarHBondContact O-N 3.3Å; L55-V58 HydrophobicContact CB-CG2 4.15Å; L55-V58 WeakPolarHBondContact O-CA 3.39Å; L55-V58 WeakPolarHBondContact O-CB 3.47Å; L55-V58 PolarHBondContact O-N 2.83Å; L55-W59 PolarHBondContact O-N 3.48Å |
| 56 | D | 85.4 | Confident | 84.1 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -49.8 | -35.1 | -177.4 | -67.8 | -45.7 | 0 | 0 | 0 | 114.1 | S54 K60 | S54-D56 PolarHBondContact O-N 3.17Å; D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.43Å; D56-K60 PolarHBondContact O-N 3.13Å |
| 57 | G | 85.8 | Confident | 84.3 | Confident | 53 Ų | 53 | 86.4 Ų | 86.4 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 L61 | L55-G57 PolarHBondContact O-N 3.3Å; G57-L61 VanDerWaalsContact O-CB 3.28Å; G57-L61 WeakPolarHBondContact O-CB 3.33Å; G57-L61 PolarHBondContact O-N 2.91Å |
| 58 | V | 88.3 | Confident | 84.6 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 177 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | L55 L61 S62 | L55-V58 HydrophobicContact CB-CG2 4.15Å; L55-V58 WeakPolarHBondContact O-CA 3.39Å; L55-V58 WeakPolarHBondContact O-CB 3.47Å; L55-V58 PolarHBondContact O-N 2.83Å; V58-L61 PolarHBondContact O-N 3.33Å; V58-S62 VanDerWaalsContact O-CB 3.25Å; V58-S62 WeakPolarHBondContact O-CB 3.28Å; V58-S62 PolarHBondContact O-N 3.43Å; V58-S62 PolarHBondContact O-OG 3.44Å |
| 59 | W | 87.8 | Confident | 85 | Confident | 55 Ų | 55 | 86.9 Ų | 86.9 | 21% | 0.208 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59.6 | -51.5 | 176.4 | -172.4 | -111.2 | 0 | 0 | 0 | 111.9 | F42 E43 I46 E48 L55 L61 S62 Y63 | F42-W59 HydrophobicContact CD1-CH2 4.13Å; F42-W59 HydrophobicContact CD1-CZ2 4.06Å; F42-W59 AromaticContact CE1-CD2 3.99Å; F42-W59 HydrophobicContact CE1-CD2 3.99Å; F42-W59 AromaticContact CE1-CE2 3.92Å; F42-W59 AromaticContact CE1-CE3 3.83Å; F42-W59 HydrophobicContact CE1-CE3 3.83Å; F42-W59 AromaticContact CE1-CH2 3.56Å; F42-W59 HydrophobicContact CE1-CH2 3.56Å; F42-W59 AromaticContact CE1-CZ2 3.74Å; F42-W59 HydrophobicContact CE1-CZ2 3.74Å; F42-W59 AromaticContact CE1-CZ3 3.6Å; F42-W59 HydrophobicContact CE1-CZ3 3.6Å; F42-W59 HydrophobicContact CZ-CE3 4.33Å; F42-W59 HydrophobicContact CZ-CH2 4.4Å; F42-W59 HydrophobicContact CZ-CZ3 4.09Å; E43-W59 HydrophobicContact CG-CZ2 3.91Å; I46-W59 HydrophobicContact CB-CH2 4.42Å; I46-W59 HydrophobicContact CB-CZ3 4.39Å; I46-W59 HydrophobicContact CG2-CH2 4.37Å; I46-W59 HydrophobicContact CG2-CZ3 3.92Å; E48-W59 HydrophobicContact CB-CH2 3.97Å; E48-W59 HydrophobicContact CB-CZ3 3.86Å; E48-W59 HydrophobicContact CG-CE3 4.1Å; E48-W59 HydrophobicContact CG-CH2 4.03Å; E48-W59 HydrophobicContact CG-CZ3 3.43Å; E48-W59 VanDerWaalsContact CG-CZ3 3.43Å; E48-W59 WeakPolarHBondContact OE1-CZ3 3.38Å; L55-W59 PolarHBondContact O-N 3.48Å; W59-L61 PolarHBondContact O-N 3.44Å; W59-S62 PolarHBondContact O-N 3.02Å; W59-Y63 WeakPolarHBondContact O-CB 3.5Å; W59-Y63 PolarHBondContact O-N 3.14Å |
| 60 | K | 87.6 | Confident | 85.3 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 178.5 | -73.8 | 176.3 | -177.9 | 174.6 | 0 | 113.3 | D56 T64 | D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.43Å; D56-K60 PolarHBondContact O-N 3.13Å; K60-T64 WeakPolarHBondContact O-CB 3.29Å; K60-T64 PolarHBondContact O-N 3.36Å; K60-T64 PolarHBondContact O-OG1 3.35Å |
| 61 | L | 90.3 | Very high | 86 | Confident | 114 Ų | 114 | 87.2 Ų | 87.2 | 60% | 0.597 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -44.1 | 177.7 | -176.9 | 61.1 | 0 | 0 | 0 | 110.6 | G57 V58 W59 T64 T65 | G57-L61 VanDerWaalsContact O-CB 3.28Å; G57-L61 WeakPolarHBondContact O-CB 3.33Å; G57-L61 PolarHBondContact O-N 2.91Å; V58-L61 PolarHBondContact O-N 3.33Å; W59-L61 PolarHBondContact O-N 3.44Å; L61-T64 PolarHBondContact O-N 3.49Å; L61-T65 WeakPolarHBondContact O-CB 3.37Å; L61-T65 PolarHBondContact O-N 3.27Å; L61-T65 PolarHBondContact O-OG1 2.88Å |
| 62 | S | 89.5 | Confident | 86.9 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 34% | 0.336 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | F42 V58 W59 T64 T65 F66 | F42-S62 VanDerWaalsContact CZ-CB 3.5Å; V58-S62 VanDerWaalsContact O-CB 3.25Å; V58-S62 WeakPolarHBondContact O-CB 3.28Å; V58-S62 PolarHBondContact O-N 3.43Å; V58-S62 PolarHBondContact O-OG 3.44Å; W59-S62 PolarHBondContact O-N 3.02Å; S62-T64 VanDerWaalsContact C-N 3.33Å; S62-T64 PolarHBondContact O-N 3.43Å; S62-T65 PolarHBondContact O-N 3.37Å; S62-F66 VanDerWaalsContact O-CB 3.23Å; S62-F66 WeakPolarHBondContact O-CB 3.5Å; S62-F66 PolarHBondContact O-N 2.82Å |
| 63 | Y | 88.8 | Confident | 87.8 | Confident | 103 Ų | 103 | 88.6 Ų | 88.6 | 40% | 0.404 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 173.7 | 174.5 | -92.7 | 0 | 0 | 0 | 112 | F42 W59 T67 | F42-Y63 HydrophobicContact CB-CD2 3.67Å; F42-Y63 HydrophobicContact CB-CE2 4.17Å; F42-Y63 AromaticContact CD1-CD2 3.84Å; F42-Y63 HydrophobicContact CD1-CD2 3.84Å; F42-Y63 HydrophobicContact CD1-CG 4.39Å; F42-Y63 AromaticContact CG-CD2 3.98Å; F42-Y63 HydrophobicContact CG-CD2 3.98Å; W59-Y63 WeakPolarHBondContact O-CB 3.5Å; W59-Y63 PolarHBondContact O-N 3.14Å; Y63-T67 WeakPolarHBondContact O-CB 3.2Å; Y63-T67 PolarHBondContact O-N 3.12Å; Y63-T67 PolarHBondContact O-OG1 3Å |
| 64 | T | 88.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -49.5 | -178.3 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | K60 L61 S62 F66 T67 V68 | K60-T64 WeakPolarHBondContact O-CB 3.29Å; K60-T64 PolarHBondContact O-N 3.36Å; K60-T64 PolarHBondContact O-OG1 3.35Å; L61-T64 PolarHBondContact O-N 3.49Å; S62-T64 VanDerWaalsContact C-N 3.33Å; S62-T64 PolarHBondContact O-N 3.43Å; T64-F66 VanDerWaalsContact C-N 3.33Å; T64-F66 PolarHBondContact O-N 3.19Å; T64-T67 PolarHBondContact O-N 3.19Å; T64-V68 HydrophobicContact CG2-CG2 4.36Å; T64-V68 WeakPolarHBondContact O-CB 3.48Å; T64-V68 VanDerWaalsContact O-CG2 3.27Å; T64-V68 WeakPolarHBondContact O-CG2 3.27Å; T64-V68 PolarHBondContact O-N 3.28Å |
| 65 | T | 91.2 | Very high | 88.6 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | -179.9 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | L61 S62 S69 | L61-T65 WeakPolarHBondContact O-CB 3.37Å; L61-T65 PolarHBondContact O-N 3.27Å; L61-T65 PolarHBondContact O-OG1 2.88Å; S62-T65 PolarHBondContact O-N 3.37Å; T65-S69 WeakPolarHBondContact O-CB 3.5Å; T65-S69 PolarHBondContact O-N 3.22Å; T65-S69 PolarHBondContact O-OG 2.99Å |
| 66 | F | 89.2 | Confident | 89 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63 | -50.5 | 175.2 | 179.1 | -98.9 | 0 | 0 | 0 | 111.6 | F42 V45 S62 T64 V68 S69 K70 | F42-F66 HydrophobicContact CB-CD1 3.81Å; F42-F66 HydrophobicContact CB-CE1 4.21Å; F42-F66 HydrophobicContact CD2-CB 3.6Å; F42-F66 AromaticContact CD2-CD1 3.81Å; F42-F66 HydrophobicContact CD2-CD1 3.81Å; F42-F66 HydrophobicContact CD2-CD2 4.28Å; F42-F66 AromaticContact CD2-CG 3.64Å; F42-F66 HydrophobicContact CD2-CG 3.64Å; F42-F66 HydrophobicContact CE2-CB 4.09Å; F42-F66 HydrophobicContact CE2-CG 4.43Å; F42-F66 HydrophobicContact CG-CD1 4.3Å; V45-F66 HydrophobicContact CG2-CZ 4.15Å; S62-F66 VanDerWaalsContact O-CB 3.23Å; S62-F66 WeakPolarHBondContact O-CB 3.5Å; S62-F66 PolarHBondContact O-N 2.82Å; T64-F66 VanDerWaalsContact C-N 3.33Å; T64-F66 PolarHBondContact O-N 3.19Å; F66-V68 PolarHBondContact O-N 2.81Å; F66-S69 PolarHBondContact O-N 2.94Å; F66-K70 HydrophobicContact CE1-CD 4.41Å; F66-K70 WeakPolarHBondContact O-CB 3.36Å; F66-K70 PolarHBondContact O-N 2.89Å |
| 67 | T | 87.7 | Confident | 89.2 | Confident | 53 Ų | 53 | 91 Ų | 91 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | -177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | Y63 T64 Y71 | Y63-T67 WeakPolarHBondContact O-CB 3.2Å; Y63-T67 PolarHBondContact O-N 3.12Å; Y63-T67 PolarHBondContact O-OG1 3Å; T64-T67 PolarHBondContact O-N 3.19Å; T67-Y71 WeakPolarHBondContact O-CB 3.32Å; T67-Y71 PolarHBondContact O-N 3.46Å |
| 68 | V | 90.4 | Very high | 89.5 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | T64 F66 K70 Y71 W72 | T64-V68 HydrophobicContact CG2-CG2 4.36Å; T64-V68 WeakPolarHBondContact O-CB 3.48Å; T64-V68 VanDerWaalsContact O-CG2 3.27Å; T64-V68 WeakPolarHBondContact O-CG2 3.27Å; T64-V68 PolarHBondContact O-N 3.28Å; F66-V68 PolarHBondContact O-N 2.81Å; V68-K70 PolarHBondContact O-N 2.9Å; V68-Y71 PolarHBondContact O-N 2.91Å; V68-W72 VanDerWaalsContact O-CD1 3.24Å; V68-W72 PolarHBondContact O-N 3.3Å |
| 69 | S | 89.9 | Confident | 89.6 | Confident | 67 Ų | 67 | 90.6 Ų | 90.6 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 179.4 | -63 | 0 | 0 | 0 | 0 | 112.1 | T65 F66 Y71 W72 C73 | T65-S69 WeakPolarHBondContact O-CB 3.5Å; T65-S69 PolarHBondContact O-N 3.22Å; T65-S69 PolarHBondContact O-OG 2.99Å; F66-S69 PolarHBondContact O-N 2.94Å; S69-Y71 PolarHBondContact O-N 3.28Å; S69-W72 PolarHBondContact O-N 2.89Å; S69-C73 WeakPolarHBondContact O-CB 3.38Å; S69-C73 PolarHBondContact O-N 3.37Å |
| 70 | K | 87.9 | Confident | 89.9 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.6 | -176.7 | 178.4 | 73.8 | 90.5 | 0 | 111.6 | F66 V68 Y74 | F66-K70 HydrophobicContact CE1-CD 4.41Å; F66-K70 WeakPolarHBondContact O-CB 3.36Å; F66-K70 PolarHBondContact O-N 2.89Å; V68-K70 PolarHBondContact O-N 2.9Å; K70-Y74 WeakPolarHBondContact O-CB 3.45Å; K70-Y74 PolarHBondContact O-N 2.9Å |
| 71 | Y | 87.4 | Confident | 90.2 | Very high | 127 Ų | 127 | 91.4 Ų | 91.4 | 50% | 0.498 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | -178.7 | 178.2 | -102.4 | 0 | 0 | 0 | 112.5 | T67 V68 S69 Y74 R75 | T67-Y71 WeakPolarHBondContact O-CB 3.32Å; T67-Y71 PolarHBondContact O-N 3.46Å; V68-Y71 PolarHBondContact O-N 2.91Å; S69-Y71 PolarHBondContact O-N 3.28Å; Y71-Y74 PolarHBondContact O-N 3.44Å; Y71-R75 VanDerWaalsContact CE1-CD 3.43Å; Y71-R75 HydrophobicContact CE1-CG 4.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.41Å; Y71-R75 PolarHBondContact O-N 3.27Å; Y71-R75 VanDerWaalsContact O-N 3.1Å; Y71-R75 PolarHBondContact OH-NH1 3Å |
| 72 | W | 90.1 | Very high | 90.3 | Very high | 141 Ų | 141 | 87.6 Ų | 87.6 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 179.7 | -80.2 | 97.4 | 0 | 0 | 0 | 112.6 | V68 S69 Y74 R75 I76 | V68-W72 VanDerWaalsContact O-CD1 3.24Å; V68-W72 PolarHBondContact O-N 3.3Å; S69-W72 PolarHBondContact O-N 2.89Å; W72-Y74 VanDerWaalsContact C-N 3.34Å; W72-Y74 PolarHBondContact O-N 2.89Å; W72-R75 PolarHBondContact O-N 2.96Å; W72-I76 WeakPolarHBondContact O-CG1 3.27Å; W72-I76 PolarHBondContact O-N 3.41Å |
| 73 | C | 90.1 | Very high | 90.4 | Very high | 69 Ų | 69 | 91.2 Ų | 91.2 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 111 | S69 R75 I76 L77 | S69-C73 WeakPolarHBondContact O-CB 3.38Å; S69-C73 PolarHBondContact O-N 3.37Å; C73-R75 VanDerWaalsContact C-N 3.33Å; C73-R75 PolarHBondContact O-N 3.39Å; C73-I76 PolarHBondContact O-N 2.83Å; C73-L77 WeakPolarHBondContact O-CB 3.31Å; C73-L77 WeakPolarHBondContact O-CG 3.41Å; C73-L77 PolarHBondContact O-N 3.34Å |
| 74 | Y | 90.8 | Very high | 90.6 | Very high | 158 Ų | 158 | 89.3 Ų | 89.3 | 62% | 0.62 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.1 | -43.1 | 176.7 | 176.7 | -103.1 | 0 | 0 | 0 | 112.5 | K70 Y71 W72 S78 | K70-Y74 WeakPolarHBondContact O-CB 3.45Å; K70-Y74 PolarHBondContact O-N 2.9Å; Y71-Y74 PolarHBondContact O-N 3.44Å; W72-Y74 VanDerWaalsContact C-N 3.34Å; W72-Y74 PolarHBondContact O-N 2.89Å; Y74-S78 WeakPolarHBondContact O-CB 3.27Å; Y74-S78 PolarHBondContact O-N 3.46Å; Y74-S78 PolarHBondContact O-OG 2.92Å |
| 75 | R | 89.8 | Confident | 90.9 | Very high | 123 Ų | 123 | 88.9 Ų | 88.9 | 46% | 0.464 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 178.4 | -75.9 | -177.6 | 66.2 | 169.1 | -2.2 | 112.7 | Y71 W72 C73 A79 | Y71-R75 VanDerWaalsContact CE1-CD 3.43Å; Y71-R75 HydrophobicContact CE1-CG 4.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.41Å; Y71-R75 PolarHBondContact O-N 3.27Å; Y71-R75 VanDerWaalsContact O-N 3.1Å; Y71-R75 PolarHBondContact OH-NH1 3Å; W72-R75 PolarHBondContact O-N 2.96Å; C73-R75 VanDerWaalsContact C-N 3.33Å; C73-R75 PolarHBondContact O-N 3.39Å; R75-A79 VanDerWaalsContact O-CB 3.31Å; R75-A79 WeakPolarHBondContact O-CB 3.38Å; R75-A79 PolarHBondContact O-N 3.26Å |
| 76 | I | 92.5 | Very high | 91 | Very high | 95 Ų | 95 | 88.2 Ų | 88.2 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 179.7 | -67.1 | 169.8 | 0 | 0 | 0 | 109.9 | W72 C73 S78 A79 I80 | W72-I76 WeakPolarHBondContact O-CG1 3.27Å; W72-I76 PolarHBondContact O-N 3.41Å; C73-I76 PolarHBondContact O-N 2.83Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.32Å; I76-A79 PolarHBondContact O-N 2.95Å; I76-I80 HydrophobicContact CG2-CD1 3.73Å; I76-I80 WeakPolarHBondContact O-CG1 3.41Å; I76-I80 PolarHBondContact O-N 3.42Å |
| 77 | L | 89.7 | Confident | 91.2 | Very high | 87 Ų | 87 | 91 Ų | 91 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.9 | -72.4 | 172.4 | 0 | 0 | 0 | 111.6 | C73 A79 I80 F81 | C73-L77 WeakPolarHBondContact O-CB 3.31Å; C73-L77 WeakPolarHBondContact O-CG 3.41Å; C73-L77 PolarHBondContact O-N 3.34Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 2.94Å; L77-I80 PolarHBondContact O-N 3.37Å; L77-F81 HydrophobicContact CD2-CD2 4.08Å; L77-F81 HydrophobicContact CD2-CE2 3.96Å; L77-F81 WeakPolarHBondContact O-CB 3.45Å; L77-F81 PolarHBondContact O-N 3.34Å |
| 78 | S | 91.8 | Very high | 91.5 | Very high | 45 Ų | 45 | 93.8 Ų | 93.8 | 32% | 0.315 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | Y74 I76 G82 | Y74-S78 WeakPolarHBondContact O-CB 3.27Å; Y74-S78 PolarHBondContact O-N 3.46Å; Y74-S78 PolarHBondContact O-OG 2.92Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.32Å; S78-G82 WeakPolarHBondContact O-CA 3.49Å; S78-G82 PolarHBondContact O-N 3.17Å |
| 79 | A | 91.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 98.1 Ų | 98.1 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R75 I76 L77 | R75-A79 VanDerWaalsContact O-CB 3.31Å; R75-A79 WeakPolarHBondContact O-CB 3.38Å; R75-A79 PolarHBondContact O-N 3.26Å; I76-A79 PolarHBondContact O-N 2.95Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 2.94Å |
| 80 | I | 92.7 | Very high | 91.9 | Very high | 100 Ų | 100 | 97 Ų | 97 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78.5 | -48.4 | -178.4 | -64.5 | 168.9 | 0 | 0 | 0 | 111.1 | I76 L77 P84 | I76-I80 HydrophobicContact CG2-CD1 3.73Å; I76-I80 WeakPolarHBondContact O-CG1 3.41Å; I76-I80 PolarHBondContact O-N 3.42Å; L77-I80 PolarHBondContact O-N 3.37Å; I80-P84 WeakPolarHBondContact O-CD 3.3Å |
| 81 | F | 93.9 | Very high | 92.2 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -102.1 | -14.7 | -170.4 | -63.9 | -73.2 | 0 | 0 | 0 | 114.2 | L77 I83 P84 V85 | L77-F81 HydrophobicContact CD2-CD2 4.08Å; L77-F81 HydrophobicContact CD2-CE2 3.96Å; L77-F81 WeakPolarHBondContact O-CB 3.45Å; L77-F81 PolarHBondContact O-N 3.34Å; F81-I83 PolarHBondContact O-N 3.4Å; F81-P84 WeakPolarHBondContact O-CD 3.29Å; F81-V85 HydrophobicContact CB-CG2 4.38Å; F81-V85 VanDerWaalsContact O-CB 3.26Å; F81-V85 WeakPolarHBondContact O-CB 3.44Å; F81-V85 WeakPolarHBondContact O-CG2 3.17Å; F81-V85 PolarHBondContact O-N 3.03Å |
| 82 | G | 92.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 96.7 Ų | 96.7 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -50.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S78 A86 | S78-G82 WeakPolarHBondContact O-CA 3.49Å; S78-G82 PolarHBondContact O-N 3.17Å; G82-A86 VanDerWaalsContact O-CB 3.29Å; G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 3.3Å |
| 83 | I | 91.4 | Very high | 92.7 | Very high | 125 Ų | 125 | 96.3 Ų | 96.3 | 64% | 0.641 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -49.9 | -179.7 | -58.9 | 169.8 | 0 | 0 | 0 | 111.4 | F81 V85 A86 L87 | F81-I83 PolarHBondContact O-N 3.4Å; I83-V85 VanDerWaalsContact C-N 3.35Å; I83-V85 PolarHBondContact O-N 2.72Å; I83-A86 PolarHBondContact O-N 2.96Å; I83-L87 HydrophobicContact CG2-CD1 4.21Å; I83-L87 WeakPolarHBondContact O-CG 3.26Å; I83-L87 PolarHBondContact O-N 3.32Å |
| 84 | P | 93.9 | Very high | 92.9 | Very high | 63 Ų | 63 | 95.9 Ų | 95.9 | 41% | 0.409 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.1 | -44.9 | 176.1 | -27.2 | 34.2 | 0 | 0 | 0 | 113.8 | I80 F81 L87 L88 | I80-P84 WeakPolarHBondContact O-CD 3.3Å; F81-P84 WeakPolarHBondContact O-CD 3.29Å; P84-L87 PolarHBondContact O-N 3.45Å; P84-L88 WeakPolarHBondContact O-CG 3.46Å; P84-L88 PolarHBondContact O-N 2.95Å |
| 85 | V | 94.4 | Very high | 93.1 | Very high | 65 Ų | 65 | 90.7 Ų | 90.7 | 39% | 0.394 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | -179.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | F81 I83 L87 L88 W89 | F81-V85 HydrophobicContact CB-CG2 4.38Å; F81-V85 VanDerWaalsContact O-CB 3.26Å; F81-V85 WeakPolarHBondContact O-CB 3.44Å; F81-V85 WeakPolarHBondContact O-CG2 3.17Å; F81-V85 PolarHBondContact O-N 3.03Å; I83-V85 VanDerWaalsContact C-N 3.35Å; I83-V85 PolarHBondContact O-N 2.72Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.96Å; V85-L88 PolarHBondContact O-N 3.45Å; V85-W89 VanDerWaalsContact O-CD1 3.3Å; V85-W89 PolarHBondContact O-N 3.48Å |
| 86 | A | 93.1 | Very high | 93.3 | Very high | 64 Ų | 64 | 90 Ų | 90 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G82 I83 W89 G90 | G82-A86 VanDerWaalsContact O-CB 3.29Å; G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 3.3Å; I83-A86 PolarHBondContact O-N 2.96Å; A86-W89 PolarHBondContact O-N 3.38Å; A86-G90 PolarHBondContact O-N 3.34Å |
| 87 | L | 92.9 | Very high | 93.4 | Very high | 124 Ų | 124 | 87.8 Ų | 87.8 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 176.1 | -70.9 | 173.9 | 0 | 0 | 0 | 112.1 | I83 P84 V85 G90 F91 | I83-L87 HydrophobicContact CG2-CD1 4.21Å; I83-L87 WeakPolarHBondContact O-CG 3.26Å; I83-L87 PolarHBondContact O-N 3.32Å; P84-L87 PolarHBondContact O-N 3.45Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-L87 PolarHBondContact O-N 2.96Å; L87-G90 PolarHBondContact O-N 3.03Å; L87-F91 PolarHBondContact O-N 2.99Å |
| 88 | L | 95.1 | Very high | 93.6 | Very high | 112 Ų | 112 | 89.5 Ų | 89.5 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 176.6 | -72 | 172.1 | 0 | 0 | 0 | 111.5 | P84 V85 F91 L92 | P84-L88 WeakPolarHBondContact O-CG 3.46Å; P84-L88 PolarHBondContact O-N 2.95Å; V85-L88 PolarHBondContact O-N 3.45Å; L88-F91 PolarHBondContact O-N 3.35Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.17Å; L88-L92 PolarHBondContact O-N 2.98Å |
| 89 | W | 94.4 | Very high | 93.7 | Very high | 160 Ų | 160 | 90.7 Ų | 90.7 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 177.1 | -87.5 | 106.8 | 0 | 0 | 0 | 112.6 | V85 A86 F91 L92 F93 | V85-W89 VanDerWaalsContact O-CD1 3.3Å; V85-W89 PolarHBondContact O-N 3.48Å; A86-W89 PolarHBondContact O-N 3.38Å; W89-F91 VanDerWaalsContact C-N 3.35Å; W89-F91 PolarHBondContact O-N 3.03Å; W89-L92 PolarHBondContact O-N 2.88Å; W89-F93 WeakPolarHBondContact O-CB 3.48Å; W89-F93 PolarHBondContact O-N 3.35Å |
| 90 | G | 94.2 | Very high | 93.7 | Very high | 44 Ų | 44 | 91.8 Ų | 91.8 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A86 L87 F93 A94 | A86-G90 PolarHBondContact O-N 3.34Å; L87-G90 PolarHBondContact O-N 3.03Å; G90-F93 PolarHBondContact O-N 3.39Å; G90-A94 PolarHBondContact O-N 3.23Å |
| 91 | F | 94.7 | Very high | 93.8 | Very high | 139 Ų | 139 | 91.9 Ų | 91.9 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -46.3 | 176.7 | -179.7 | -102.4 | 0 | 0 | 0 | 112.3 | L87 L88 W89 F93 A94 C95 | L87-F91 PolarHBondContact O-N 2.99Å; L88-F91 PolarHBondContact O-N 3.35Å; W89-F91 VanDerWaalsContact C-N 3.35Å; W89-F91 PolarHBondContact O-N 3.03Å; F91-F93 VanDerWaalsContact C-N 3.33Å; F91-F93 PolarHBondContact O-N 2.94Å; F91-A94 WeakPolarHBondContact O-CB 3.48Å; F91-A94 PolarHBondContact O-N 3.41Å; F91-A94 VanDerWaalsContact O-N 3.17Å; F91-C95 VanDerWaalsContact CZ-SG 3.55Å; F91-C95 PolarHBondContact O-N 3.16Å; F91-C95 PolarHBondContact O-SG 2.9Å |
| 92 | L | 94.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 176.7 | -72.9 | 171.9 | 0 | 0 | 0 | 111.6 | L88 W89 A94 C95 I96 | L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.17Å; L88-L92 PolarHBondContact O-N 2.98Å; W89-L92 PolarHBondContact O-N 2.88Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.49Å; L92-C95 PolarHBondContact O-N 3.35Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.06Å; L92-I96 PolarHBondContact O-N 3.4Å |
| 93 | F | 93.3 | Very high | 93.6 | Very high | 134 Ų | 134 | 95.8 Ų | 95.8 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 178.2 | -124.8 | -86.7 | 0 | 0 | 0 | 112.2 | W89 G90 F91 S97 | W89-F93 WeakPolarHBondContact O-CB 3.48Å; W89-F93 PolarHBondContact O-N 3.35Å; G90-F93 PolarHBondContact O-N 3.39Å; F91-F93 VanDerWaalsContact C-N 3.33Å; F91-F93 PolarHBondContact O-N 2.94Å; F93-S97 VanDerWaalsContact O-CB 3.29Å; F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.44Å; F93-S97 PolarHBondContact O-OG 3.12Å |
| 94 | A | 94.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 92.7 Ų | 92.7 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G90 F91 L92 S97 F98 | G90-A94 PolarHBondContact O-N 3.23Å; F91-A94 WeakPolarHBondContact O-CB 3.48Å; F91-A94 PolarHBondContact O-N 3.41Å; F91-A94 VanDerWaalsContact O-N 3.17Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 3.49Å; A94-S97 PolarHBondContact O-N 3.33Å; A94-F98 WeakPolarHBondContact O-CB 2.96Å; A94-F98 PolarHBondContact O-N 3.4Å |
| 95 | C | 94.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 92.4 Ų | 92.4 | 34% | 0.338 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.9 | -69 | 0 | 0 | 0 | 0 | 112.3 | F91 L92 S97 F98 C99 | F91-C95 VanDerWaalsContact CZ-SG 3.55Å; F91-C95 PolarHBondContact O-N 3.16Å; F91-C95 PolarHBondContact O-SG 2.9Å; L92-C95 PolarHBondContact O-N 3.35Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 2.9Å; C95-F98 PolarHBondContact O-N 2.85Å; C95-C99 PolarHBondContact O-N 3.5Å; C95-C99 PolarHBondContact O-SG 3.07Å; C95-C99 VanDerWaalsContact O-SG 3.37Å |
| 96 | I | 93.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 92.2 Ų | 92.2 | 55% | 0.549 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.8 | -69 | 166.1 | 0 | 0 | 0 | 110.1 | L92 F98 C99 H100 | L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.06Å; L92-I96 PolarHBondContact O-N 3.4Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 2.85Å; I96-C99 PolarHBondContact O-N 2.93Å; I96-H100 VanDerWaalsContact O-CB 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.15Å; I96-H100 PolarHBondContact O-N 3.07Å |
| 97 | S | 94.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 92.9 Ų | 92.9 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | F93 A94 C95 H100 I101 | F93-S97 VanDerWaalsContact O-CB 3.29Å; F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.44Å; F93-S97 PolarHBondContact O-OG 3.12Å; A94-S97 PolarHBondContact O-N 3.33Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 2.9Å; S97-H100 PolarHBondContact O-N 3.42Å; S97-I101 WeakPolarHBondContact O-CD1 3.35Å; S97-I101 VanDerWaalsContact O-CG1 3.27Å; S97-I101 WeakPolarHBondContact O-CG1 3.14Å; S97-I101 PolarHBondContact O-N 2.84Å |
| 98 | F | 94.3 | Very high | 93 | Very high | 123 Ų | 123 | 91.2 Ų | 91.2 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -52.9 | 174.8 | 179.4 | -96.1 | 0 | 0 | 0 | 111.4 | A94 C95 I96 H100 I101 W102 | A94-F98 WeakPolarHBondContact O-CB 2.96Å; A94-F98 PolarHBondContact O-N 3.4Å; C95-F98 PolarHBondContact O-N 2.85Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 2.85Å; F98-H100 VanDerWaalsContact C-N 3.27Å; F98-H100 PolarHBondContact O-N 3.45Å; F98-I101 PolarHBondContact O-N 3.32Å; F98-W102 AromaticContact CD2-CD1 3.21Å; F98-W102 HydrophobicContact CD2-CG 4.1Å; F98-W102 AromaticContact CD2-NE1 3.5Å; F98-W102 HydrophobicContact CE2-CB 4.47Å; F98-W102 AromaticContact CE2-CD1 3.27Å; F98-W102 HydrophobicContact CE2-CD2 4.25Å; F98-W102 AromaticContact CE2-CG 3.77Å; F98-W102 HydrophobicContact CE2-CG 3.77Å; F98-W102 AromaticContact CE2-NE1 3.46Å; F98-W102 AromaticContact CG-CD1 3.84Å; F98-W102 HydrophobicContact CZ-CB 4.33Å; F98-W102 AromaticContact CZ-CD1 3.95Å; F98-W102 HydrophobicContact CZ-CG 4.06Å; F98-W102 WeakPolarHBondContact O-CB 3.46Å; F98-W102 PolarHBondContact O-N 3Å |
| 99 | C | 92.7 | Very high | 92.6 | Very high | 70 Ų | 70 | 92.2 Ų | 92.2 | 47% | 0.473 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 177.5 | -69.4 | 0 | 0 | 0 | 0 | 112 | C95 I96 A103 V104 | C95-C99 PolarHBondContact O-N 3.5Å; C95-C99 PolarHBondContact O-SG 3.07Å; C95-C99 VanDerWaalsContact O-SG 3.37Å; I96-C99 PolarHBondContact O-N 2.93Å; C99-A103 WeakPolarHBondContact O-CA 3.29Å; C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.4Å; C99-A103 PolarHBondContact O-N 3.17Å; C99-V104 PolarHBondContact O-N 2.86Å |
| 100 | H | 92.4 | Very high | 92.3 | Very high | 99 Ų | 99 | 87.9 Ų | 87.9 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -62.2 | -49.6 | 178.3 | -178.9 | -94.1 | 0 | 0 | 0 | 111.7 | I96 S97 F98 V104 V105 | I96-H100 VanDerWaalsContact O-CB 3.31Å; I96-H100 WeakPolarHBondContact O-CB 3.15Å; I96-H100 PolarHBondContact O-N 3.07Å; S97-H100 PolarHBondContact O-N 3.42Å; F98-H100 VanDerWaalsContact C-N 3.27Å; F98-H100 PolarHBondContact O-N 3.45Å; H100-V104 WeakPolarHBondContact O-CB 3.17Å; H100-V104 PolarHBondContact O-N 3.47Å; H100-V105 WeakPolarHBondContact O-CG2 3.41Å; H100-V105 PolarHBondContact O-N 2.97Å |
| 101 | I | 93.9 | Very high | 91.9 | Very high | 101 Ų | 101 | 90 Ų | 90 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -71 | -42.6 | -176.7 | -64.2 | 162.1 | 0 | 0 | 0 | 111.4 | S97 F98 P106 | S97-I101 WeakPolarHBondContact O-CD1 3.35Å; S97-I101 VanDerWaalsContact O-CG1 3.27Å; S97-I101 WeakPolarHBondContact O-CG1 3.14Å; S97-I101 PolarHBondContact O-N 2.84Å; F98-I101 PolarHBondContact O-N 3.32Å; I101-P106 VanDerWaalsContact O-CD 3.32Å; I101-P106 WeakPolarHBondContact O-CD 3.37Å |
| 102 | W | 92.6 | Very high | 91.5 | Very high | 181 Ų | 181 | 88.3 Ų | 88.3 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -94.9 | -25 | -169.1 | -67.3 | 95 | 0 | 0 | 0 | 114.4 | F98 P106 | F98-W102 AromaticContact CD2-CD1 3.21Å; F98-W102 HydrophobicContact CD2-CG 4.1Å; F98-W102 AromaticContact CD2-NE1 3.5Å; F98-W102 HydrophobicContact CE2-CB 4.47Å; F98-W102 AromaticContact CE2-CD1 3.27Å; F98-W102 HydrophobicContact CE2-CD2 4.25Å; F98-W102 AromaticContact CE2-CG 3.77Å; F98-W102 HydrophobicContact CE2-CG 3.77Å; F98-W102 AromaticContact CE2-NE1 3.46Å; F98-W102 AromaticContact CG-CD1 3.84Å; F98-W102 HydrophobicContact CZ-CB 4.33Å; F98-W102 AromaticContact CZ-CD1 3.95Å; F98-W102 HydrophobicContact CZ-CG 4.06Å; F98-W102 WeakPolarHBondContact O-CB 3.46Å; F98-W102 PolarHBondContact O-N 3Å; W102-P106 WeakPolarHBondContact O-CG 3.35Å |
| 103 | A | 89.6 | Confident | 91.3 | Very high | 51 Ų | 51 | 88.9 Ų | 88.9 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -110.9 | -53.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | C99 P106 C107 | C99-A103 WeakPolarHBondContact O-CA 3.29Å; C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.4Å; C99-A103 PolarHBondContact O-N 3.17Å; A103-P106 WeakPolarHBondContact O-CD 3.28Å; A103-C107 VanDerWaalsContact O-CB 3.28Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 2.88Å; A103-C107 PolarHBondContact O-SG 3.4Å |
| 104 | V | 92.3 | Very high | 90.8 | Very high | 60 Ų | 60 | 88.4 Ų | 88.4 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -68.3 | -47.9 | -171.5 | -179.6 | 0 | 0 | 0 | 0 | 112 | C99 H100 C107 I108 | C99-V104 PolarHBondContact O-N 2.86Å; H100-V104 WeakPolarHBondContact O-CB 3.17Å; H100-V104 PolarHBondContact O-N 3.47Å; V104-C107 PolarHBondContact O-N 2.78Å; V104-I108 HydrophobicContact CG1-CD1 3.6Å; V104-I108 HydrophobicContact CG1-CG1 4.12Å; V104-I108 WeakPolarHBondContact O-CB 3.12Å; V104-I108 VanDerWaalsContact O-CG1 3.29Å; V104-I108 WeakPolarHBondContact O-CG1 3.44Å; V104-I108 PolarHBondContact O-N 3.43Å |
| 105 | V | 92.3 | Very high | 90.1 | Very high | 58 Ų | 58 | 88.7 Ų | 88.7 | 35% | 0.352 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | -179.1 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | H100 C107 I108 K109 | H100-V105 WeakPolarHBondContact O-CG2 3.41Å; H100-V105 PolarHBondContact O-N 2.97Å; V105-C107 PolarHBondContact O-N 2.9Å; V105-I108 PolarHBondContact O-N 2.89Å; V105-K109 HydrophobicContact CG1-CG 4.42Å; V105-K109 WeakPolarHBondContact O-CB 3.09Å; V105-K109 WeakPolarHBondContact O-CG 3.47Å; V105-K109 PolarHBondContact O-N 2.64Å |
| 106 | P | 90.9 | Very high | 89.6 | Confident | 60 Ų | 60 | 91.8 Ų | 91.8 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 172.5 | -28.2 | 37.7 | 0 | 0 | 0 | 113.1 | I101 W102 A103 I108 K109 S110 | I101-P106 VanDerWaalsContact O-CD 3.32Å; I101-P106 WeakPolarHBondContact O-CD 3.37Å; W102-P106 WeakPolarHBondContact O-CG 3.35Å; A103-P106 WeakPolarHBondContact O-CD 3.28Å; P106-I108 PolarHBondContact O-N 3.4Å; P106-K109 PolarHBondContact O-N 3.38Å; P106-S110 WeakPolarHBondContact O-CB 3.23Å; P106-S110 PolarHBondContact O-N 3.43Å; P106-S110 PolarHBondContact O-OG 2.71Å |
| 107 | C | 86.8 | Confident | 88.8 | Confident | 79 Ų | 79 | 89.4 Ų | 89.4 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 177.3 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | A103 V104 V105 S110 C111 | A103-C107 VanDerWaalsContact O-CB 3.28Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 2.88Å; A103-C107 PolarHBondContact O-SG 3.4Å; V104-C107 PolarHBondContact O-N 2.78Å; V105-C107 PolarHBondContact O-N 2.9Å; C107-S110 PolarHBondContact O-N 2.69Å; C107-C111 WeakPolarHBondContact O-CB 3.15Å; C107-C111 PolarHBondContact O-N 2.96Å |
| 108 | I | 90.6 | Very high | 88.3 | Confident | 88 Ų | 88 | 92.2 Ų | 92.2 | 45% | 0.451 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.1 | -69.3 | 171 | 0 | 0 | 0 | 109.6 | V104 V105 P106 S110 C111 L112 | V104-I108 HydrophobicContact CG1-CD1 3.6Å; V104-I108 HydrophobicContact CG1-CG1 4.12Å; V104-I108 WeakPolarHBondContact O-CB 3.12Å; V104-I108 VanDerWaalsContact O-CG1 3.29Å; V104-I108 WeakPolarHBondContact O-CG1 3.44Å; V104-I108 PolarHBondContact O-N 3.43Å; V105-I108 PolarHBondContact O-N 2.89Å; P106-I108 PolarHBondContact O-N 3.4Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.09Å; I108-C111 PolarHBondContact O-N 2.93Å; I108-L112 HydrophobicContact CG2-CD1 4.11Å; I108-L112 HydrophobicContact CG2-CG 4.43Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 3.41Å |
| 109 | K | 88.1 | Confident | 87.8 | Confident | 133 Ų | 133 | 89.3 Ų | 89.3 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 178.2 | -68.9 | -75.3 | -174.1 | 170.1 | 0 | 111.7 | V105 P106 L112 I113 | V105-K109 HydrophobicContact CG1-CG 4.42Å; V105-K109 WeakPolarHBondContact O-CB 3.09Å; V105-K109 WeakPolarHBondContact O-CG 3.47Å; V105-K109 PolarHBondContact O-N 2.64Å; P106-K109 PolarHBondContact O-N 3.38Å; K109-L112 PolarHBondContact O-N 3.39Å; K109-I113 WeakPolarHBondContact O-CG1 3.25Å; K109-I113 PolarHBondContact O-N 3.46Å; K109-I113 VanDerWaalsContact O-N 3.14Å |
| 110 | S | 86.5 | Confident | 87.4 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 174.3 | -66.5 | 0 | 0 | 0 | 0 | 112 | P106 C107 I108 L112 I113 E114 | P106-S110 WeakPolarHBondContact O-CB 3.23Å; P106-S110 PolarHBondContact O-N 3.43Å; P106-S110 PolarHBondContact O-OG 2.71Å; C107-S110 PolarHBondContact O-N 2.69Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.09Å; S110-L112 VanDerWaalsContact C-N 3.27Å; S110-L112 PolarHBondContact O-N 3.34Å; S110-I113 PolarHBondContact O-N 3.05Å; S110-I113 VanDerWaalsContact O-N 3.13Å; S110-E114 WeakPolarHBondContact O-CG 3.17Å; S110-E114 PolarHBondContact O-N 3.23Å |
| 111 | C | 87.3 | Confident | 87.1 | Confident | 90 Ų | 90 | 94 Ų | 94 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -36.9 | 175.1 | -88.3 | 0 | 0 | 0 | 0 | 112.7 | C107 I108 E114 S115 | C107-C111 WeakPolarHBondContact O-CB 3.15Å; C107-C111 PolarHBondContact O-N 2.96Å; I108-C111 PolarHBondContact O-N 2.93Å; C111-E114 PolarHBondContact O-N 3.47Å; C111-S115 VanDerWaalsContact O-CB 3.29Å; C111-S115 WeakPolarHBondContact O-CB 3.36Å; C111-S115 PolarHBondContact O-N 2.93Å |
| 112 | L | 86.7 | Confident | 86.8 | Confident | 103 Ų | 103 | 96.4 Ų | 96.4 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176.3 | -72.1 | 173.3 | 0 | 0 | 0 | 112 | I108 K109 S110 S115 Q116 | I108-L112 HydrophobicContact CG2-CD1 4.11Å; I108-L112 HydrophobicContact CG2-CG 4.43Å; I108-L112 WeakPolarHBondContact O-CG 3.33Å; I108-L112 PolarHBondContact O-N 3.41Å; K109-L112 PolarHBondContact O-N 3.39Å; S110-L112 VanDerWaalsContact C-N 3.27Å; S110-L112 PolarHBondContact O-N 3.34Å; L112-S115 PolarHBondContact O-N 3.49Å; L112-Q116 WeakPolarHBondContact O-CB 3.43Å; L112-Q116 PolarHBondContact O-N 3.46Å |
| 113 | I | 88.6 | Confident | 86.5 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.2 | -65.1 | 163.9 | 0 | 0 | 0 | 110.2 | K109 S110 S115 Q116 C117 | K109-I113 WeakPolarHBondContact O-CG1 3.25Å; K109-I113 PolarHBondContact O-N 3.46Å; K109-I113 VanDerWaalsContact O-N 3.14Å; S110-I113 PolarHBondContact O-N 3.05Å; S110-I113 VanDerWaalsContact O-N 3.13Å; I113-S115 PolarHBondContact O-N 3.47Å; I113-Q116 WeakPolarHBondContact O-CB 3.45Å; I113-Q116 PolarHBondContact O-N 3.27Å; I113-Q116 VanDerWaalsContact O-N 3.17Å; I113-C117 PolarHBondContact O-N 3.36Å; I113-C117 VanDerWaalsContact O-N 3.15Å |
| 114 | E | 83.6 | Confident | 86.4 | Confident | 123 Ų | 123 | 93.3 Ų | 93.3 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 175.4 | -67.9 | -61 | 149.3 | 0 | 0 | 111.6 | S110 C111 Q116 C117 I118 | S110-E114 WeakPolarHBondContact O-CG 3.17Å; S110-E114 PolarHBondContact O-N 3.23Å; C111-E114 PolarHBondContact O-N 3.47Å; E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 2.93Å; E114-C117 WeakPolarHBondContact O-CB 3.22Å; E114-C117 PolarHBondContact O-N 2.97Å; E114-C117 VanDerWaalsContact O-N 3.12Å; E114-I118 WeakPolarHBondContact O-CG1 3.37Å; E114-I118 PolarHBondContact O-N 2.76Å |
| 115 | S | 80.6 | Confident | 86.1 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | C111 L112 I113 C117 I118 S119 | C111-S115 VanDerWaalsContact O-CB 3.29Å; C111-S115 WeakPolarHBondContact O-CB 3.36Å; C111-S115 PolarHBondContact O-N 2.93Å; L112-S115 PolarHBondContact O-N 3.49Å; I113-S115 PolarHBondContact O-N 3.47Å; S115-C117 VanDerWaalsContact C-N 3.34Å; S115-I118 PolarHBondContact O-N 3.23Å; S115-S119 VanDerWaalsContact O-CB 3.28Å; S115-S119 WeakPolarHBondContact O-CB 3.4Å; S115-S119 PolarHBondContact O-N 3.02Å |
| 116 | Q | 82.8 | Confident | 85.9 | Confident | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 177.2 | -159.7 | 169.1 | 4.4 | 0 | 0 | 111.4 | L112 I113 E114 R120 | L112-Q116 WeakPolarHBondContact O-CB 3.43Å; L112-Q116 PolarHBondContact O-N 3.46Å; I113-Q116 WeakPolarHBondContact O-CB 3.45Å; I113-Q116 PolarHBondContact O-N 3.27Å; I113-Q116 VanDerWaalsContact O-N 3.17Å; E114-Q116 VanDerWaalsContact C-N 3.25Å; E114-Q116 PolarHBondContact O-N 2.93Å; Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.86Å |
| 117 | C | 76.7 | Confident | 85.7 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 170.2 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | I113 E114 S115 S119 R120 I121 | I113-C117 PolarHBondContact O-N 3.36Å; I113-C117 VanDerWaalsContact O-N 3.15Å; E114-C117 WeakPolarHBondContact O-CB 3.22Å; E114-C117 PolarHBondContact O-N 2.97Å; E114-C117 VanDerWaalsContact O-N 3.12Å; S115-C117 VanDerWaalsContact C-N 3.34Å; C117-S119 VanDerWaalsContact C-N 3.33Å; C117-S119 PolarHBondContact O-N 3.1Å; C117-R120 PolarHBondContact O-N 3.02Å; C117-I121 WeakPolarHBondContact O-CG1 3.48Å; C117-I121 PolarHBondContact O-N 2.92Å; C117-I121 VanDerWaalsContact O-N 3.08Å |
| 118 | I | 84.8 | Confident | 85.7 | Confident | 109 Ų | 109 | 96.9 Ų | 96.9 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 176.8 | -65.5 | 168 | 0 | 0 | 0 | 110.8 | E114 S115 R120 I121 Y122 | E114-I118 WeakPolarHBondContact O-CG1 3.37Å; E114-I118 PolarHBondContact O-N 2.76Å; S115-I118 PolarHBondContact O-N 3.23Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.19Å; I118-I121 PolarHBondContact O-N 3.01Å; I118-Y122 VanDerWaalsContact O-CB 3.26Å; I118-Y122 WeakPolarHBondContact O-CB 3.22Å; I118-Y122 PolarHBondContact O-N 3.4Å |
| 119 | S | 84.1 | Confident | 85.4 | Confident | 63 Ų | 63 | 99.6 Ų | 99.6 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 177.4 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | S115 C117 S123 | S115-S119 VanDerWaalsContact O-CB 3.28Å; S115-S119 WeakPolarHBondContact O-CB 3.4Å; S115-S119 PolarHBondContact O-N 3.02Å; C117-S119 VanDerWaalsContact C-N 3.33Å; C117-S119 PolarHBondContact O-N 3.1Å; S119-S123 WeakPolarHBondContact O-CB 3.34Å; S119-S123 PolarHBondContact O-N 3.33Å; S119-S123 PolarHBondContact O-OG 2.88Å |
| 120 | R | 84.3 | Confident | 85 | Confident | 161 Ų | 161 | 95.5 Ų | 95.5 | 61% | 0.608 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -46.5 | 174 | -73 | 174.8 | -177.5 | 166.4 | 2.2 | 111.9 | Q116 C117 I118 Y122 S123 L124 | Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.86Å; C117-R120 PolarHBondContact O-N 3.02Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.19Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; R120-Y122 PolarHBondContact O-N 3.22Å; R120-S123 PolarHBondContact O-N 3.04Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.25Å |
| 121 | I | 86.4 | Confident | 84.8 | Confident | 105 Ų | 105 | 96 Ų | 96 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.8 | -64.4 | 165.5 | 0 | 0 | 0 | 110.2 | C117 I118 S123 L124 C125 | C117-I121 WeakPolarHBondContact O-CG1 3.48Å; C117-I121 PolarHBondContact O-N 2.92Å; C117-I121 VanDerWaalsContact O-N 3.08Å; I118-I121 PolarHBondContact O-N 3.01Å; I121-S123 VanDerWaalsContact C-N 3.34Å; I121-S123 PolarHBondContact O-N 3.27Å; I121-L124 WeakPolarHBondContact O-CB 3.31Å; I121-L124 PolarHBondContact O-N 3.11Å; I121-C125 PolarHBondContact O-N 2.84Å; I121-C125 PolarHBondContact O-SG 3.37Å; I121-C125 VanDerWaalsContact O-SG 3.34Å |
| 122 | Y | 86.6 | Confident | 84.7 | Confident | 153 Ų | 153 | 95 Ų | 95 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.6 | -44.2 | 176.5 | -179.8 | -103 | 0 | 0 | 0 | 112.2 | I118 R120 C125 I126 | I118-Y122 VanDerWaalsContact O-CB 3.26Å; I118-Y122 WeakPolarHBondContact O-CB 3.22Å; I118-Y122 PolarHBondContact O-N 3.4Å; R120-Y122 VanDerWaalsContact C-N 3.34Å; R120-Y122 PolarHBondContact O-N 3.22Å; Y122-C125 PolarHBondContact O-N 2.84Å; Y122-I126 HydrophobicContact CD1-CD1 3.99Å; Y122-I126 HydrophobicContact CE1-CD1 3.34Å; Y122-I126 HydrophobicContact CE1-CG1 4.3Å; Y122-I126 HydrophobicContact CE2-CD1 4.27Å; Y122-I126 PolarHBondContact O-N 2.89Å |
| 123 | S | 87.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | S119 R120 I121 C125 I126 Q127 | S119-S123 WeakPolarHBondContact O-CB 3.34Å; S119-S123 PolarHBondContact O-N 3.33Å; S119-S123 PolarHBondContact O-OG 2.88Å; R120-S123 PolarHBondContact O-N 3.04Å; I121-S123 VanDerWaalsContact C-N 3.34Å; I121-S123 PolarHBondContact O-N 3.27Å; S123-C125 VanDerWaalsContact C-N 3.34Å; S123-C125 PolarHBondContact O-N 3.49Å; S123-I126 PolarHBondContact O-N 3.42Å; S123-Q127 WeakPolarHBondContact O-CB 3.25Å; S123-Q127 PolarHBondContact O-N 3.07Å |
| 124 | L | 87.2 | Confident | 84.4 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 174.8 | -71.8 | 169.1 | 0 | 0 | 0 | 111.9 | R120 I121 Q127 T128 | R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.25Å; I121-L124 WeakPolarHBondContact O-CB 3.31Å; I121-L124 PolarHBondContact O-N 3.11Å; L124-Q127 PolarHBondContact O-N 3.17Å; L124-T128 VanDerWaalsContact O-CB 3.29Å; L124-T128 WeakPolarHBondContact O-CB 3.42Å; L124-T128 PolarHBondContact O-N 3.37Å; L124-T128 PolarHBondContact O-OG1 3.48Å |
| 125 | C | 86 | Confident | 84.5 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.9 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | I121 Y122 S123 Q127 T128 F129 | I121-C125 PolarHBondContact O-N 2.84Å; I121-C125 PolarHBondContact O-SG 3.37Å; I121-C125 VanDerWaalsContact O-SG 3.34Å; Y122-C125 PolarHBondContact O-N 2.84Å; S123-C125 VanDerWaalsContact C-N 3.34Å; S123-C125 PolarHBondContact O-N 3.49Å; C125-Q127 VanDerWaalsContact C-N 3.34Å; C125-Q127 PolarHBondContact O-N 3.48Å; C125-T128 PolarHBondContact O-N 3.48Å; C125-F129 WeakPolarHBondContact O-CB 3.33Å; C125-F129 WeakPolarHBondContact O-CD2 3.24Å; C125-F129 PolarHBondContact O-N 3.45Å |
| 126 | I | 88.2 | Confident | 84.7 | Confident | 60 Ų | 60 | 96.9 Ų | 96.9 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -59.2 | -48 | 175.5 | -70.8 | -177.3 | 0 | 0 | 0 | 110.3 | Y122 S123 T128 F129 C130 D131 | Y122-I126 HydrophobicContact CD1-CD1 3.99Å; Y122-I126 HydrophobicContact CE1-CD1 3.34Å; Y122-I126 HydrophobicContact CE1-CG1 4.3Å; Y122-I126 HydrophobicContact CE2-CD1 4.27Å; Y122-I126 PolarHBondContact O-N 2.89Å; S123-I126 PolarHBondContact O-N 3.42Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 2.97Å; I126-F129 PolarHBondContact O-N 3.37Å; I126-C130 HydrophobicContact CB-CB 4.48Å; I126-C130 HydrophobicContact CG2-CB 3.95Å; I126-C130 CarbonylContact O-C 3.59Å; I126-C130 VanDerWaalsContact O-CA 3.3Å; I126-C130 WeakPolarHBondContact O-CA 3.39Å; I126-C130 WeakPolarHBondContact O-CB 3.46Å; I126-C130 PolarHBondContact O-N 3.04Å; I126-D131 PolarHBondContact O-N 3.03Å |
| 127 | Q | 87.5 | Confident | 84.8 | Confident | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -66.7 | -29.4 | -178.3 | -169.4 | 161.3 | 19.2 | 0 | 0 | 113.2 | S123 L124 C125 D131 | S123-Q127 WeakPolarHBondContact O-CB 3.25Å; S123-Q127 PolarHBondContact O-N 3.07Å; L124-Q127 PolarHBondContact O-N 3.17Å; C125-Q127 VanDerWaalsContact C-N 3.34Å; C125-Q127 PolarHBondContact O-N 3.48Å; Q127-D131 WeakPolarHBondContact CG-OD2 3.45Å; Q127-D131 WeakPolarHBondContact O-CB 3.33Å |
| 128 | T | 86.5 | Confident | 85.2 | Confident | 89 Ų | 89 | 93.3 Ų | 93.3 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -84.4 | -34.7 | -179.4 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | L124 C125 I126 P132 | L124-T128 VanDerWaalsContact O-CB 3.29Å; L124-T128 WeakPolarHBondContact O-CB 3.42Å; L124-T128 PolarHBondContact O-N 3.37Å; L124-T128 PolarHBondContact O-OG1 3.48Å; C125-T128 PolarHBondContact O-N 3.48Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 2.97Å; T128-P132 WeakPolarHBondContact O-CG 3.46Å |
| 129 | F | 83.3 | Confident | 85.1 | Confident | 146 Ų | 146 | 94 Ų | 94 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | I | π-helix | trans | -109.7 | -48 | -173.4 | -68.5 | -76.6 | 0 | 0 | 0 | 113.1 | C125 I126 F133 | C125-F129 WeakPolarHBondContact O-CB 3.33Å; C125-F129 WeakPolarHBondContact O-CD2 3.24Å; C125-F129 PolarHBondContact O-N 3.45Å; I126-F129 PolarHBondContact O-N 3.37Å; F129-F133 VanDerWaalsContact O-CB 3.24Å; F129-F133 WeakPolarHBondContact O-CB 3.44Å; F129-F133 PolarHBondContact O-N 2.83Å |
| 130 | C | 80.6 | Confident | 85 | Confident | 46 Ų | 46 | 96.3 Ų | 96.3 | 31% | 0.311 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -76.4 | -44.2 | -175.2 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | I126 F133 F134 | I126-C130 HydrophobicContact CB-CB 4.48Å; I126-C130 HydrophobicContact CG2-CB 3.95Å; I126-C130 CarbonylContact O-C 3.59Å; I126-C130 VanDerWaalsContact O-CA 3.3Å; I126-C130 WeakPolarHBondContact O-CA 3.39Å; I126-C130 WeakPolarHBondContact O-CB 3.46Å; I126-C130 PolarHBondContact O-N 3.04Å; C130-F133 WeakPolarHBondContact O-CB 3.28Å; C130-F133 PolarHBondContact O-N 2.97Å; C130-F133 VanDerWaalsContact O-N 3.14Å; C130-F134 HydrophobicContact CB-CD2 3.89Å; C130-F134 HydrophobicContact CB-CE2 3.86Å; C130-F134 WeakPolarHBondContact O-CB 3.42Å; C130-F134 WeakPolarHBondContact O-CD2 3.41Å; C130-F134 PolarHBondContact O-N 3.3Å |
| 131 | D | 82.4 | Confident | 84.7 | Confident | 79 Ų | 79 | 95.4 Ų | 95.4 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.4 | -52.9 | 179.5 | -76.2 | 2.5 | 0 | 0 | 0 | 113 | I126 Q127 F133 F134 E135 | I126-D131 PolarHBondContact O-N 3.03Å; Q127-D131 WeakPolarHBondContact CG-OD2 3.45Å; Q127-D131 WeakPolarHBondContact O-CB 3.33Å; D131-F133 PolarHBondContact O-N 2.91Å; D131-F134 PolarHBondContact O-N 3.43Å; D131-E135 WeakPolarHBondContact O-CB 3.42Å; D131-E135 PolarHBondContact O-N 3.43Å |
| 132 | P | 85.5 | Confident | 84.2 | Confident | 71 Ų | 71 | 94.6 Ų | 94.6 | 46% | 0.461 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -29.7 | 177.8 | 23.8 | -32.3 | 0 | 0 | 0 | 112.7 | T128 A136 | T128-P132 WeakPolarHBondContact O-CG 3.46Å; P132-A136 VanDerWaalsContact O-CB 3.27Å; P132-A136 WeakPolarHBondContact O-CB 3.27Å; P132-A136 PolarHBondContact O-N 2.89Å |
| 133 | F | 84.3 | Confident | 83.5 | Confident | 132 Ų | 132 | 92 Ų | 92 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | 177 | -170.9 | -100.5 | 0 | 0 | 0 | 111.9 | F129 C130 D131 A136 L137 | F129-F133 VanDerWaalsContact O-CB 3.24Å; F129-F133 WeakPolarHBondContact O-CB 3.44Å; F129-F133 PolarHBondContact O-N 2.83Å; C130-F133 WeakPolarHBondContact O-CB 3.28Å; C130-F133 PolarHBondContact O-N 2.97Å; C130-F133 VanDerWaalsContact O-N 3.14Å; D131-F133 PolarHBondContact O-N 2.91Å; F133-A136 PolarHBondContact O-N 3.26Å; F133-L137 HydrophobicContact CD1-CD1 3.74Å; F133-L137 HydrophobicContact CD1-CG 4.38Å; F133-L137 HydrophobicContact CE1-CD1 3.47Å; F133-L137 VanDerWaalsContact CE1-CD1 3.47Å; F133-L137 HydrophobicContact CE1-CG 4.2Å; F133-L137 HydrophobicContact CZ-CD1 4.24Å; F133-L137 WeakPolarHBondContact O-CG 3.42Å; F133-L137 PolarHBondContact O-N 3.15Å |
| 134 | F | 84.3 | Confident | 82.8 | Confident | 133 Ų | 133 | 93.9 Ų | 93.9 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -35.6 | 176.6 | -75.4 | -65.6 | 0 | 0 | 0 | 112.1 | C130 D131 L137 G138 | C130-F134 HydrophobicContact CB-CD2 3.89Å; C130-F134 HydrophobicContact CB-CE2 3.86Å; C130-F134 WeakPolarHBondContact O-CB 3.42Å; C130-F134 WeakPolarHBondContact O-CD2 3.41Å; C130-F134 PolarHBondContact O-N 3.3Å; D131-F134 PolarHBondContact O-N 3.43Å; F134-L137 HydrophobicContact CD1-CD1 4.25Å; F134-L137 PolarHBondContact O-N 2.85Å; F134-G138 PolarHBondContact O-N 2.82Å |
| 135 | E | 85.1 | Confident | 81.9 | Confident | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 170 | 179.1 | 88.1 | -150.4 | 0 | 0 | 110.9 | D131 G138 K139 | D131-E135 WeakPolarHBondContact O-CB 3.42Å; D131-E135 PolarHBondContact O-N 3.43Å; E135-G138 PolarHBondContact O-N 3.05Å; E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 2.88Å; E135-K139 VanDerWaalsContact O-N 3.08Å; E135-K139 IonicContact OE1-NZ 3.49Å; E135-K139 PolarHBondContact OE1-NZ 2.95Å |
| 136 | A | 85.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | P132 F133 G138 K139 I140 | P132-A136 VanDerWaalsContact O-CB 3.27Å; P132-A136 WeakPolarHBondContact O-CB 3.27Å; P132-A136 PolarHBondContact O-N 2.89Å; F133-A136 PolarHBondContact O-N 3.26Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.04Å; A136-K139 PolarHBondContact O-N 3.03Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 2.81Å; A136-I140 VanDerWaalsContact O-N 3.13Å |
| 137 | L | 85.1 | Confident | 80.2 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 29% | 0.293 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -43.3 | 174 | -73.4 | 174.9 | 0 | 0 | 0 | 111.8 | F133 F134 K139 I140 F141 | F133-L137 HydrophobicContact CD1-CD1 3.74Å; F133-L137 HydrophobicContact CD1-CG 4.38Å; F133-L137 HydrophobicContact CE1-CD1 3.47Å; F133-L137 VanDerWaalsContact CE1-CD1 3.47Å; F133-L137 HydrophobicContact CE1-CG 4.2Å; F133-L137 HydrophobicContact CZ-CD1 4.24Å; F133-L137 WeakPolarHBondContact O-CG 3.42Å; F133-L137 PolarHBondContact O-N 3.15Å; F134-L137 HydrophobicContact CD1-CD1 4.25Å; F134-L137 PolarHBondContact O-N 2.85Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.16Å; L137-I140 WeakPolarHBondContact O-CB 3.38Å; L137-I140 PolarHBondContact O-N 3.3Å; L137-I140 VanDerWaalsContact O-N 3.14Å; L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.45Å |
| 138 | G | 85.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 104.7 Ų | 104.7 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.3 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F134 E135 A136 F141 S142 | F134-G138 PolarHBondContact O-N 2.82Å; E135-G138 PolarHBondContact O-N 3.05Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.04Å; G138-F141 PolarHBondContact O-N 3.21Å; G138-S142 WeakPolarHBondContact O-CB 3.18Å; G138-S142 PolarHBondContact O-N 3.13Å |
| 139 | K | 82.4 | Confident | 78.3 | Confident | 123 Ų | 123 | 109.9 Ų | 109.9 | 54% | 0.535 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -35.4 | 175 | -74.6 | 175.2 | -176.9 | 158.9 | 0 | 113.4 | E135 A136 L137 F141 S142 S143 | E135-K139 WeakPolarHBondContact O-CG 3.4Å; E135-K139 PolarHBondContact O-N 2.88Å; E135-K139 VanDerWaalsContact O-N 3.08Å; E135-K139 IonicContact OE1-NZ 3.49Å; E135-K139 PolarHBondContact OE1-NZ 2.95Å; A136-K139 PolarHBondContact O-N 3.03Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 3.16Å; K139-F141 VanDerWaalsContact C-N 3.35Å; K139-S142 PolarHBondContact O-OG 2.98Å; K139-S143 PolarHBondContact O-OG 2.84Å |
| 140 | I | 82.5 | Confident | 77.2 | Confident | 112 Ų | 112 | 112.3 Ų | 112.3 | 57% | 0.574 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.3 | -45.4 | 174.5 | -66.1 | 166.7 | 0 | 0 | 0 | 109.7 | A136 L137 | A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 2.81Å; A136-I140 VanDerWaalsContact O-N 3.13Å; L137-I140 WeakPolarHBondContact O-CB 3.38Å; L137-I140 PolarHBondContact O-N 3.3Å; L137-I140 VanDerWaalsContact O-N 3.14Å |
| 141 | F | 77.9 | Confident | 76.2 | Confident | 143 Ų | 143 | 117.4 Ų | 117.4 | 63% | 0.627 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.6 | -30.3 | 179.6 | -68.9 | -63.1 | 0 | 0 | 0 | 113.9 | L137 G138 K139 S143 V144 | L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.45Å; G138-F141 PolarHBondContact O-N 3.21Å; K139-F141 VanDerWaalsContact C-N 3.35Å; F141-S143 PolarHBondContact O-N 3.09Å; F141-V144 WeakPolarHBondContact O-CB 3.43Å; F141-V144 PolarHBondContact O-N 3.43Å; F141-V144 VanDerWaalsContact O-N 3.09Å |
| 142 | S | 76 | Confident | 74.7 | Confident | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.9 | -21.3 | 179 | 85.7 | 0 | 0 | 0 | 0 | 113.5 | G138 K139 V144 | G138-S142 WeakPolarHBondContact O-CB 3.18Å; G138-S142 PolarHBondContact O-N 3.13Å; K139-S142 PolarHBondContact O-OG 2.98Å; S142-V144 PolarHBondContact O-N 2.87Å |
| 143 | S | 70.6 | Confident | 74.2 | Confident | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -13.1 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | K139 F141 K145 | K139-S143 PolarHBondContact O-OG 2.84Å; F141-S143 PolarHBondContact O-N 3.09Å; S143-K145 PolarHBondContact O-N 2.98Å; S143-K145 VanDerWaalsContact O-N 3.15Å |
| 144 | V | 72.7 | Confident | 73.6 | Confident | 100 Ų | 100 | 126.1 Ų | 126.1 | 61% | 0.606 | 67% | 0.67 | S | S | * | * | trans | -83.6 | 88.4 | 175.9 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | F141 S142 V146 | F141-V144 WeakPolarHBondContact O-CB 3.43Å; F141-V144 PolarHBondContact O-N 3.43Å; F141-V144 VanDerWaalsContact O-N 3.09Å; S142-V144 PolarHBondContact O-N 2.87Å; V144-V146 HydrophobicContact CG1-CG2 4.25Å; V144-V146 PolarHBondContact O-N 2.96Å | ||
| 145 | K | 67.6 | Low | 73 | Confident | 198 Ų | 198 | 125.7 Ų | 125.7 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -79.1 | 105.2 | 170.1 | -78.8 | -176 | 177.4 | 175.1 | 0 | 110.2 | S143 A147 | S143-K145 PolarHBondContact O-N 2.98Å; S143-K145 VanDerWaalsContact O-N 3.15Å; K145-A147 PolarHBondContact O-N 3.02Å | ||
| 146 | V | 70.8 | Confident | 72.3 | Confident | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.715 | 68% | 0.682 | S | S | * | * | trans | -81.1 | 108.5 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | V144 L148 | V144-V146 HydrophobicContact CG1-CG2 4.25Å; V144-V146 PolarHBondContact O-N 2.96Å; V146-L148 PolarHBondContact O-N 2.95Å | ||
| 147 | A | 69.6 | Low | 71.5 | Confident | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | trans | -83.1 | 103.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | K145 R149 | K145-A147 PolarHBondContact O-N 3.02Å; A147-R149 PolarHBondContact O-N 2.7Å; A147-R149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | L | 68.1 | Low | 70.6 | Confident | 161 Ų | 161 | 136 Ų | 136 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -71.7 | 106.3 | 171.8 | -80.9 | 168.5 | 0 | 0 | 0 | 109.1 | V146 K150 | V146-L148 PolarHBondContact O-N 2.95Å; L148-K150 PolarHBondContact O-N 3.06Å | ||
| 149 | R | 64.5 | Low | 69.6 | Low | 199 Ų | 199 | 142.9 Ų | 142.9 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | trans | -74.7 | 114.1 | 164.6 | -177.6 | 179.2 | -66.7 | -82.5 | 0.3 | 107.2 | A147 E151 | A147-R149 PolarHBondContact O-N 2.7Å; A147-R149 VanDerWaalsContact O-N 3.16Å; R149-E151 WeakPolarHBondContact CD-OE1 3.34Å; R149-E151 WeakPolarHBondContact CG-OE1 3.37Å; R149-E151 PolarHBondContact O-N 3.32Å | ||
| 150 | K | 61.1 | Low | 68.6 | Low | 196 Ų | 196 | 144.4 Ų | 144.4 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -83.2 | 103.5 | 171.8 | -164 | 176.9 | -177.1 | 178.7 | 0 | 107.3 | L148 | L148-K150 PolarHBondContact O-N 3.06Š| ||
| 151 | E | 58.6 | Low | 67.4 | Low | 154 Ų | 154 | 147.1 Ų | 147.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 130.8 | 169.5 | -37.7 | -77.7 | 147.9 | 0 | 0 | 107.7 | R149 | R149-E151 WeakPolarHBondContact CD-OE1 3.34Å; R149-E151 WeakPolarHBondContact CG-OE1 3.37Å; R149-E151 PolarHBondContact O-N 3.32Å | ||
| 152 | V | 51.7 | Low | 66.5 | Low | 212 Ų | 212 | 147.5 Ų | 147.5 | 100% | 1.285 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 0 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 152 of 152 residues in 49.6 ms
(Link to these results)