| 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 | 41.6 | Very low | 35.1 | Very low | 202 Ų | 202 | 135 Ų | 135 | 100% | 0.995 | 65% | 0.654 | S | S | * | * | 0 | -45.3 | 0 | -79 | -171.5 | 175 | 0 | 0 | 115.7 | G3 I4 | M1-G3 PolarHBondContact O-N 2.78Å; M1-I4 PolarHBondContact O-N 3.42Å | |||
| 2 | K | 32.2 | Very low | 35.4 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -55 | -44 | -175.1 | -83.4 | -175.4 | 175.1 | 178.6 | 0 | 115 | I4 R5 | K2-I4 PolarHBondContact O-N 2.99Å; K2-R5 PolarHBondContact O-N 2.79Å |
| 3 | G | 32.8 | Very low | 35.8 | Very low | 53 Ų | 53 | 128.1 Ų | 128.1 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.5 | -36.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1 R5 L6 F7 | M1-G3 PolarHBondContact O-N 2.78Å; G3-R5 VanDerWaalsContact C-N 3.27Å; G3-R5 PolarHBondContact O-N 2.98Å; G3-L6 PolarHBondContact O-N 3.48Å; G3-L6 VanDerWaalsContact O-N 3.13Å; G3-F7 PolarHBondContact O-N 2.81Å; G3-F7 VanDerWaalsContact O-N 3.11Å |
| 4 | I | 36.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.5 | -34.7 | -179.8 | -59.9 | 172.9 | 0 | 0 | 0 | 110.8 | M1 K2 F7 Q8 | M1-I4 PolarHBondContact O-N 3.42Å; K2-I4 PolarHBondContact O-N 2.99Å; I4-F7 PolarHBondContact O-N 3.03Å; I4-Q8 WeakPolarHBondContact O-CB 3.31Å; I4-Q8 PolarHBondContact O-N 3.16Å |
| 5 | R | 30.9 | Very low | 36.3 | Very low | 194 Ų | 194 | 129.9 Ų | 129.9 | 73% | 0.732 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.4 | -22.3 | 177.4 | -64.8 | -167.7 | -172.1 | -177.4 | 3.8 | 113.9 | K2 G3 K9 | K2-R5 PolarHBondContact O-N 2.79Å; G3-R5 VanDerWaalsContact C-N 3.27Å; G3-R5 PolarHBondContact O-N 2.98Å; R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 PolarHBondContact O-N 3.47Å |
| 6 | L | 36.3 | Very low | 36.2 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.7 | -52.5 | 168.2 | -85 | 88.3 | 0 | 0 | 0 | 110 | G3 Q8 K9 D10 | G3-L6 PolarHBondContact O-N 3.48Å; G3-L6 VanDerWaalsContact O-N 3.13Å; L6-Q8 PolarHBondContact O-N 2.76Å; L6-Q8 VanDerWaalsContact O-N 3.1Å; L6-K9 CarbonylContact O-C 3.59Å; L6-K9 WeakPolarHBondContact O-CA 3.19Å; L6-K9 PolarHBondContact O-N 3.44Å; L6-D10 PolarHBondContact O-N 2.66Å |
| 7 | F | 32.5 | Very low | 36.7 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 69% | 0.693 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54 | -37.1 | -179.3 | -125.3 | -90.3 | 0 | 0 | 0 | 113.1 | G3 I4 N11 | G3-F7 PolarHBondContact O-N 2.81Å; G3-F7 VanDerWaalsContact O-N 3.11Å; I4-F7 PolarHBondContact O-N 3.03Å; F7-N11 WeakPolarHBondContact O-CB 3.43Å; F7-N11 PolarHBondContact O-N 3.22Å; F7-N11 PolarHBondContact O-ND2 2.83Å |
| 8 | Q | 33.8 | Very low | 36.8 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 58% | 0.584 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.3 | -32.2 | 175.4 | -164.4 | 170 | 8.7 | 0 | 0 | 113 | I4 L6 I12 | I4-Q8 WeakPolarHBondContact O-CB 3.31Å; I4-Q8 PolarHBondContact O-N 3.16Å; L6-Q8 PolarHBondContact O-N 2.76Å; L6-Q8 VanDerWaalsContact O-N 3.1Å; Q8-I12 HydrophobicContact CG-CD1 4.34Å; Q8-I12 WeakPolarHBondContact O-CB 3.32Å; Q8-I12 WeakPolarHBondContact O-CD1 3.38Å; Q8-I12 WeakPolarHBondContact O-CG1 3.31Å; Q8-I12 PolarHBondContact O-N 3.15Å; Q8-I12 VanDerWaalsContact O-N 3.12Å |
| 9 | K | 34.2 | Very low | 36.9 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.6 | -40.5 | 178.8 | -160.4 | 176.5 | -171.5 | -175.4 | 0 | 112.1 | R5 L6 I12 V13 | R5-K9 WeakPolarHBondContact O-CB 3.38Å; R5-K9 PolarHBondContact O-N 3.47Å; L6-K9 CarbonylContact O-C 3.59Å; L6-K9 WeakPolarHBondContact O-CA 3.19Å; L6-K9 PolarHBondContact O-N 3.44Å; K9-I12 PolarHBondContact O-N 2.78Å; K9-V13 WeakPolarHBondContact O-CG2 3.45Å; K9-V13 PolarHBondContact O-N 3.42Å |
| 10 | D | 39.3 | Very low | 37.2 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.8 | -40.7 | 176.5 | -63.9 | -41.6 | 0 | 0 | 0 | 111.1 | L6 I12 V13 Q14 | L6-D10 PolarHBondContact O-N 2.66Å; D10-I12 VanDerWaalsContact C-N 3.33Å; D10-I12 PolarHBondContact O-N 2.97Å; D10-V13 PolarHBondContact O-N 3.23Å; D10-Q14 VanDerWaalsContact O-CB 3.28Å; D10-Q14 WeakPolarHBondContact O-CB 3.33Å; D10-Q14 PolarHBondContact O-N 2.85Å |
| 11 | N | 36.1 | Very low | 37.5 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61 | -38.9 | 170.3 | -82.8 | -51.1 | 0 | 0 | 0 | 112.5 | F7 Q14 F15 | F7-N11 WeakPolarHBondContact O-CB 3.43Å; F7-N11 PolarHBondContact O-N 3.22Å; F7-N11 PolarHBondContact O-ND2 2.83Å; N11-Q14 PolarHBondContact O-N 3Å; N11-F15 VanDerWaalsContact O-CB 3.24Å; N11-F15 WeakPolarHBondContact O-CB 3.19Å; N11-F15 PolarHBondContact O-N 2.82Å |
| 12 | I | 38.1 | Very low | 37.5 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.6 | -40.4 | 175.1 | -73.4 | 165.6 | 0 | 0 | 0 | 111.4 | Q8 K9 D10 S16 | Q8-I12 HydrophobicContact CG-CD1 4.34Å; Q8-I12 WeakPolarHBondContact O-CB 3.32Å; Q8-I12 WeakPolarHBondContact O-CD1 3.38Å; Q8-I12 WeakPolarHBondContact O-CG1 3.31Å; Q8-I12 PolarHBondContact O-N 3.15Å; Q8-I12 VanDerWaalsContact O-N 3.12Å; K9-I12 PolarHBondContact O-N 2.78Å; D10-I12 VanDerWaalsContact C-N 3.33Å; D10-I12 PolarHBondContact O-N 2.97Å; I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 2.83Å |
| 13 | V | 41.7 | Very low | 38 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -37.3 | 175.3 | 172 | 0 | 0 | 0 | 0 | 111.6 | K9 D10 S16 R17 | K9-V13 WeakPolarHBondContact O-CG2 3.45Å; K9-V13 PolarHBondContact O-N 3.42Å; D10-V13 PolarHBondContact O-N 3.23Å; V13-S16 PolarHBondContact O-N 3.05Å; V13-R17 WeakPolarHBondContact O-CB 3.46Å; V13-R17 PolarHBondContact O-N 2.96Å |
| 14 | Q | 40.7 | Very low | 38.9 | Very low | 133 Ų | 133 | 115 Ų | 115 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.9 | -38.5 | 177.4 | -171 | 168.6 | -3.4 | 0 | 0 | 111.9 | D10 N11 R17 A18 | D10-Q14 VanDerWaalsContact O-CB 3.28Å; D10-Q14 WeakPolarHBondContact O-CB 3.33Å; D10-Q14 PolarHBondContact O-N 2.85Å; N11-Q14 PolarHBondContact O-N 3Å; Q14-R17 PolarHBondContact O-N 2.63Å; Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.2Å; Q14-A18 PolarHBondContact O-N 3.16Å |
| 15 | F | 37.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 112.7 Ų | 112.7 | 66% | 0.662 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.1 | -38.1 | 171.6 | -156.4 | -87.1 | 0 | 0 | 0 | 111.1 | N11 A18 M19 | N11-F15 VanDerWaalsContact O-CB 3.24Å; N11-F15 WeakPolarHBondContact O-CB 3.19Å; N11-F15 PolarHBondContact O-N 2.82Å; F15-A18 PolarHBondContact O-N 3.11Å; F15-M19 WeakPolarHBondContact O-CB 3.18Å; F15-M19 PolarHBondContact O-N 3.15Å |
| 16 | S | 34.8 | Very low | 39.9 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 172.6 | -168.3 | 0 | 0 | 0 | 0 | 111.4 | I12 V13 M19 E20 | I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 2.83Å; V13-S16 PolarHBondContact O-N 3.05Å; S16-M19 CarbonylContact O-C 3.51Å; S16-M19 PolarHBondContact O-N 3.45Å; S16-E20 WeakPolarHBondContact O-CB 3.44Å; S16-E20 PolarHBondContact O-N 3.17Å |
| 17 | R | 44.6 | Very low | 40.4 | Very low | 174 Ų | 174 | 112.2 Ų | 112.2 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.3 | -32.9 | 176.3 | -80.8 | -179.6 | 168 | 172.5 | -2.2 | 113.6 | V13 Q14 F21 | V13-R17 WeakPolarHBondContact O-CB 3.46Å; V13-R17 PolarHBondContact O-N 2.96Å; Q14-R17 PolarHBondContact O-N 2.63Å; R17-F21 WeakPolarHBondContact O-CB 3.47Å; R17-F21 PolarHBondContact O-N 2.77Å |
| 18 | A | 39.2 | Very low | 41 | Very low | 53 Ų | 53 | 108.6 Ų | 108.6 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q14 F15 C22 | Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.2Å; Q14-A18 PolarHBondContact O-N 3.16Å; F15-A18 PolarHBondContact O-N 3.11Å; A18-C22 VanDerWaalsContact O-CB 3.23Å; A18-C22 WeakPolarHBondContact O-CB 3.47Å; A18-C22 PolarHBondContact O-N 3.26Å; A18-C22 PolarHBondContact O-SG 2.76Å; A18-C22 VanDerWaalsContact O-SG 3.4Å |
| 19 | M | 38.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 106 Ų | 106 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -34.6 | 174.7 | -176.2 | 167.1 | 60 | 0 | 0 | 112 | F15 S16 C22 L23 | F15-M19 WeakPolarHBondContact O-CB 3.18Å; F15-M19 PolarHBondContact O-N 3.15Å; S16-M19 CarbonylContact O-C 3.51Å; S16-M19 PolarHBondContact O-N 3.45Å; M19-C22 CarbonylContact O-C 3.57Å; M19-C22 PolarHBondContact O-N 3.03Å; M19-L23 WeakPolarHBondContact O-CA 3.45Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 PolarHBondContact O-N 2.81Å |
| 20 | E | 43.4 | Very low | 41.8 | Very low | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.2 | -38.6 | 173.4 | -177.7 | 176.7 | -126.5 | 0 | 0 | 111.1 | S16 L23 H24 | S16-E20 WeakPolarHBondContact O-CB 3.44Å; S16-E20 PolarHBondContact O-N 3.17Å; E20-L23 CarbonylContact O-C 3.6Å; E20-L23 PolarHBondContact O-N 3.5Å; E20-H24 WeakPolarHBondContact O-CB 3.21Å; E20-H24 PolarHBondContact O-CD2 2.81Å; E20-H24 PolarHBondContact O-N 2.8Å |
| 21 | F | 43.1 | Very low | 42.1 | Very low | 122 Ų | 122 | 102.4 Ų | 102.4 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.6 | -37.6 | 171.1 | -168 | -108.5 | 0 | 0 | 0 | 111.8 | R17 L23 H24 I25 | R17-F21 WeakPolarHBondContact O-CB 3.47Å; R17-F21 PolarHBondContact O-N 2.77Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-H24 PolarHBondContact O-N 2.92Å; F21-I25 HydrophobicContact CD1-CD1 3.73Å; F21-I25 HydrophobicContact CE1-CD1 3.47Å; F21-I25 VanDerWaalsContact CE1-CD1 3.47Å; F21-I25 HydrophobicContact CE1-CG1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 4.09Å; F21-I25 WeakPolarHBondContact O-CB 3.41Å; F21-I25 WeakPolarHBondContact O-CG1 3.45Å; F21-I25 PolarHBondContact O-N 3.5Å |
| 22 | C | 40.9 | Very low | 42.5 | Very low | 70 Ų | 70 | 102.3 Ų | 102.3 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.8 | -24.9 | 169 | -79.1 | 0 | 0 | 0 | 0 | 112.9 | A18 M19 R26 | A18-C22 VanDerWaalsContact O-CB 3.23Å; A18-C22 WeakPolarHBondContact O-CB 3.47Å; A18-C22 PolarHBondContact O-N 3.26Å; A18-C22 PolarHBondContact O-SG 2.76Å; A18-C22 VanDerWaalsContact O-SG 3.4Å; M19-C22 CarbonylContact O-C 3.57Å; M19-C22 PolarHBondContact O-N 3.03Å; C22-R26 WeakPolarHBondContact O-CB 3.38Å; C22-R26 VanDerWaalsContact O-CG 3.28Å; C22-R26 WeakPolarHBondContact O-CG 3.34Å; C22-R26 PolarHBondContact O-N 3.13Å |
| 23 | L | 42.9 | Very low | 42.7 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.1 | -35.3 | 173.3 | -176.5 | 65.2 | 0 | 0 | 0 | 110.1 | M19 E20 F21 R26 L27 | M19-L23 WeakPolarHBondContact O-CA 3.45Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 PolarHBondContact O-N 2.81Å; E20-L23 CarbonylContact O-C 3.6Å; E20-L23 PolarHBondContact O-N 3.5Å; F21-L23 VanDerWaalsContact C-N 3.32Å; L23-R26 CarbonylContact O-C 3.53Å; L23-R26 PolarHBondContact O-N 2.87Å; L23-L27 HydrophobicContact CD1-CD1 3.88Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CD1 3.28Å; L23-L27 WeakPolarHBondContact O-CD1 3.27Å; L23-L27 PolarHBondContact O-N 2.62Å |
| 24 | H | 52 | Low | 42.5 | Very low | 121 Ų | 121 | 102.5 Ų | 102.5 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -37.7 | 167.3 | -81.9 | -62.9 | 0 | 0 | 0 | 111.9 | E20 F21 L27 L28 | E20-H24 WeakPolarHBondContact O-CB 3.21Å; E20-H24 PolarHBondContact O-CD2 2.81Å; E20-H24 PolarHBondContact O-N 2.8Å; F21-H24 PolarHBondContact O-N 2.92Å; H24-L27 PolarHBondContact O-N 2.9Å; H24-L28 WeakPolarHBondContact O-CB 3.33Å; H24-L28 PolarHBondContact O-N 2.74Å |
| 25 | I | 46.1 | Very low | 42.4 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 37% | 0.369 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.8 | -33.2 | 171.3 | -73.3 | 170.3 | 0 | 0 | 0 | 110.7 | F21 T29 | F21-I25 HydrophobicContact CD1-CD1 3.73Å; F21-I25 HydrophobicContact CE1-CD1 3.47Å; F21-I25 VanDerWaalsContact CE1-CD1 3.47Å; F21-I25 HydrophobicContact CE1-CG1 4.46Å; F21-I25 HydrophobicContact CZ-CD1 4.09Å; F21-I25 WeakPolarHBondContact O-CB 3.41Å; F21-I25 WeakPolarHBondContact O-CG1 3.45Å; F21-I25 PolarHBondContact O-N 3.5Å; I25-T29 HydrophobicContact CG2-CG2 4.43Å; I25-T29 VanDerWaalsContact O-CB 3.29Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.14Å; I25-T29 PolarHBondContact O-N 2.69Å; I25-T29 PolarHBondContact O-OG1 2.65Å |
| 26 | R | 42.8 | Very low | 42.4 | Very low | 188 Ų | 188 | 100.8 Ų | 100.8 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.7 | -31.8 | 171.9 | -80.4 | -173.9 | 178.1 | -145.4 | 1.4 | 113 | C22 L23 T29 A30 | C22-R26 WeakPolarHBondContact O-CB 3.38Å; C22-R26 VanDerWaalsContact O-CG 3.28Å; C22-R26 WeakPolarHBondContact O-CG 3.34Å; C22-R26 PolarHBondContact O-N 3.13Å; L23-R26 CarbonylContact O-C 3.53Å; L23-R26 PolarHBondContact O-N 2.87Å; R26-T29 WeakPolarHBondContact CA-OG1 3.48Å; R26-A30 WeakPolarHBondContact O-CA 3.46Å; R26-A30 WeakPolarHBondContact O-CB 3.33Å; R26-A30 PolarHBondContact O-N 2.85Å |
| 27 | L | 46.5 | Very low | 42.4 | Very low | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 169.1 | -103.4 | 79.5 | 0 | 0 | 0 | 110.4 | L23 H24 A30 F31 | L23-L27 HydrophobicContact CD1-CD1 3.88Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 VanDerWaalsContact O-CB 3.3Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 VanDerWaalsContact O-CD1 3.28Å; L23-L27 WeakPolarHBondContact O-CD1 3.27Å; L23-L27 PolarHBondContact O-N 2.62Å; H24-L27 PolarHBondContact O-N 2.9Å; L27-A30 CarbonylContact O-C 3.34Å; L27-A30 PolarHBondContact O-N 3.3Å; L27-F31 WeakPolarHBondContact O-CA 3.35Å; L27-F31 WeakPolarHBondContact O-CB 3.22Å; L27-F31 PolarHBondContact O-N 2.78Å |
| 28 | L | 45.7 | Very low | 41.8 | Very low | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77 | -35.7 | 179.3 | -161.2 | 80.3 | 0 | 0 | 0 | 111.7 | H24 F31 V32 F744 | H24-L28 WeakPolarHBondContact O-CB 3.33Å; H24-L28 PolarHBondContact O-N 2.74Å; L28-F31 PolarHBondContact O-N 3.07Å; L28-V32 VanDerWaalsContact O-CB 3.32Å; L28-V32 WeakPolarHBondContact O-CB 3.37Å; L28-V32 VanDerWaalsContact O-CG2 3.25Å; L28-V32 WeakPolarHBondContact O-CG2 3.44Å; L28-V32 PolarHBondContact O-N 3.16Å; L28-F744 HydrophobicContact CD2-CE2 3.75Å; L28-F744 HydrophobicContact CD2-CZ 4.47Å |
| 29 | T | 41.6 | Very low | 41.3 | Very low | 70 Ų | 70 | 100.1 Ų | 100.1 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -75.7 | -27.2 | 169 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | I25 R26 L33 | I25-T29 HydrophobicContact CG2-CG2 4.43Å; I25-T29 VanDerWaalsContact O-CB 3.29Å; I25-T29 WeakPolarHBondContact O-CB 3.39Å; I25-T29 WeakPolarHBondContact O-CG2 3.14Å; I25-T29 PolarHBondContact O-N 2.69Å; I25-T29 PolarHBondContact O-OG1 2.65Å; R26-T29 WeakPolarHBondContact CA-OG1 3.48Å; T29-L33 VanDerWaalsContact O-CB 3.24Å; T29-L33 WeakPolarHBondContact O-CB 3.19Å; T29-L33 WeakPolarHBondContact O-CD1 3.29Å; T29-L33 PolarHBondContact O-N 3.14Å |
| 30 | A | 43.3 | Very low | 41 | Very low | 49 Ų | 49 | 101.2 Ų | 101.2 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.3 | -28.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R26 L27 C34 | R26-A30 WeakPolarHBondContact O-CA 3.46Å; R26-A30 WeakPolarHBondContact O-CB 3.33Å; R26-A30 PolarHBondContact O-N 2.85Å; L27-A30 CarbonylContact O-C 3.34Å; L27-A30 PolarHBondContact O-N 3.3Å; A30-C34 VanDerWaalsContact O-CB 3.25Å; A30-C34 WeakPolarHBondContact O-CB 3.21Å; A30-C34 PolarHBondContact O-N 3.18Å; A30-C34 PolarHBondContact O-SG 2.84Å |
| 31 | F | 45.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 102 Ų | 102 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.8 | -38.5 | 174.2 | -169.1 | -98.4 | 0 | 0 | 0 | 110.3 | L27 L28 C34 F35 | L27-F31 WeakPolarHBondContact O-CA 3.35Å; L27-F31 WeakPolarHBondContact O-CB 3.22Å; L27-F31 PolarHBondContact O-N 2.78Å; L28-F31 PolarHBondContact O-N 3.07Å; F31-C34 PolarHBondContact O-N 2.98Å; F31-F35 HydrophobicContact CD1-CD2 4Å; F31-F35 HydrophobicContact CD1-CE2 4.22Å; F31-F35 AromaticContact CE1-CD2 3.82Å; F31-F35 HydrophobicContact CE1-CD2 3.82Å; F31-F35 AromaticContact CE1-CE2 3.56Å; F31-F35 HydrophobicContact CE1-CE2 3.56Å; F31-F35 HydrophobicContact CZ-CD2 4.33Å; F31-F35 AromaticContact CZ-CE2 3.78Å; F31-F35 HydrophobicContact CZ-CE2 3.78Å; F31-F35 WeakPolarHBondContact O-CB 3.41Å; F31-F35 WeakPolarHBondContact O-CD2 3.37Å; F31-F35 PolarHBondContact O-N 3.43Å |
| 32 | V | 44.4 | Very low | 39.5 | Very low | 85 Ų | 85 | 100.3 Ų | 100.3 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.7 | -31 | 171.4 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | L28 K36 | L28-V32 VanDerWaalsContact O-CB 3.32Å; L28-V32 WeakPolarHBondContact O-CB 3.37Å; L28-V32 VanDerWaalsContact O-CG2 3.25Å; L28-V32 WeakPolarHBondContact O-CG2 3.44Å; L28-V32 PolarHBondContact O-N 3.16Å; V32-K36 VanDerWaalsContact O-CB 3.26Å; V32-K36 WeakPolarHBondContact O-CB 3.47Å; V32-K36 PolarHBondContact O-N 3.13Å |
| 33 | L | 40.5 | Very low | 39 | Very low | 108 Ų | 108 | 100.7 Ų | 100.7 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.9 | -36.3 | 167.4 | -97.5 | 84.7 | 0 | 0 | 0 | 111.6 | T29 K36 V37 | T29-L33 VanDerWaalsContact O-CB 3.24Å; T29-L33 WeakPolarHBondContact O-CB 3.19Å; T29-L33 WeakPolarHBondContact O-CD1 3.29Å; T29-L33 PolarHBondContact O-N 3.14Å; L33-K36 CarbonylContact O-C 3.6Å; L33-K36 PolarHBondContact O-N 2.83Å; L33-K36 VanDerWaalsContact O-N 3.15Å; L33-V37 WeakPolarHBondContact O-CB 3.34Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.19Å; L33-V37 PolarHBondContact O-N 3.48Å |
| 34 | C | 38.2 | Very low | 38.2 | Very low | 76 Ų | 76 | 102.3 Ų | 102.3 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -47.7 | 169.2 | -79.6 | 0 | 0 | 0 | 0 | 109.6 | A30 F31 K36 V37 C38 | A30-C34 VanDerWaalsContact O-CB 3.25Å; A30-C34 WeakPolarHBondContact O-CB 3.21Å; A30-C34 PolarHBondContact O-N 3.18Å; A30-C34 PolarHBondContact O-SG 2.84Å; F31-C34 PolarHBondContact O-N 2.98Å; C34-K36 VanDerWaalsContact C-N 3.27Å; C34-K36 PolarHBondContact O-N 3.3Å; C34-V37 CarbonylContact O-C 3.55Å; C34-V37 PolarHBondContact O-N 3.03Å; C34-V37 VanDerWaalsContact O-N 3.13Å; C34-C38 WeakPolarHBondContact O-CB 2.89Å; C34-C38 PolarHBondContact O-N 3.42Å; C34-C38 PolarHBondContact O-SG 3.26Å |
| 35 | F | 39.7 | Very low | 37.4 | Very low | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.4 | -33.4 | 172.1 | -99.3 | -86.9 | 0 | 0 | 0 | 112.8 | F31 C38 A39 | F31-F35 HydrophobicContact CD1-CD2 4Å; F31-F35 HydrophobicContact CD1-CE2 4.22Å; F31-F35 AromaticContact CE1-CD2 3.82Å; F31-F35 HydrophobicContact CE1-CD2 3.82Å; F31-F35 AromaticContact CE1-CE2 3.56Å; F31-F35 HydrophobicContact CE1-CE2 3.56Å; F31-F35 HydrophobicContact CZ-CD2 4.33Å; F31-F35 AromaticContact CZ-CE2 3.78Å; F31-F35 HydrophobicContact CZ-CE2 3.78Å; F31-F35 WeakPolarHBondContact O-CB 3.41Å; F31-F35 WeakPolarHBondContact O-CD2 3.37Å; F31-F35 PolarHBondContact O-N 3.43Å; F35-C38 CarbonylContact O-C 3.39Å; F35-C38 PolarHBondContact O-N 3.44Å; F35-A39 WeakPolarHBondContact O-CB 3.31Å; F35-A39 PolarHBondContact O-N 2.8Å |
| 36 | K | 35.6 | Very low | 37.2 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.8 | -26.9 | 175.2 | -163.9 | 172.2 | -178 | -179.8 | 0 | 113.1 | V32 L33 C34 A39 Q40 | V32-K36 VanDerWaalsContact O-CB 3.26Å; V32-K36 WeakPolarHBondContact O-CB 3.47Å; V32-K36 PolarHBondContact O-N 3.13Å; L33-K36 CarbonylContact O-C 3.6Å; L33-K36 PolarHBondContact O-N 2.83Å; L33-K36 VanDerWaalsContact O-N 3.15Å; C34-K36 VanDerWaalsContact C-N 3.27Å; C34-K36 PolarHBondContact O-N 3.3Å; K36-A39 PolarHBondContact O-N 3.19Å; K36-Q40 HydrophobicContact CG-CG 4.42Å; K36-Q40 VanDerWaalsContact O-CB 3.3Å; K36-Q40 WeakPolarHBondContact O-CB 3.29Å; K36-Q40 WeakPolarHBondContact O-CG 3.27Å; K36-Q40 PolarHBondContact O-N 3.31Å |
| 37 | V | 34.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -78.3 | -30.1 | 170.6 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L33 C34 | L33-V37 WeakPolarHBondContact O-CB 3.34Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.19Å; L33-V37 PolarHBondContact O-N 3.48Å; C34-V37 CarbonylContact O-C 3.55Å; C34-V37 PolarHBondContact O-N 3.03Å; C34-V37 VanDerWaalsContact O-N 3.13Å |
| 38 | C | 32.3 | Very low | 38.4 | Very low | 82 Ų | 82 | 96.4 Ų | 96.4 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -80.2 | -14.8 | 168.7 | -62.9 | 0 | 0 | 0 | 0 | 113.4 | C34 F35 V42 | C34-C38 WeakPolarHBondContact O-CB 2.89Å; C34-C38 PolarHBondContact O-N 3.42Å; C34-C38 PolarHBondContact O-SG 3.26Å; F35-C38 CarbonylContact O-C 3.39Å; F35-C38 PolarHBondContact O-N 3.44Å; C38-V42 WeakPolarHBondContact O-CG2 3.34Å |
| 39 | A | 29.6 | Very low | 39 | Very low | 83 Ų | 83 | 92.5 Ų | 92.5 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -106.7 | -22.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F35 K36 V41 | F35-A39 WeakPolarHBondContact O-CB 3.31Å; F35-A39 PolarHBondContact O-N 2.8Å; K36-A39 PolarHBondContact O-N 3.19Å; A39-V41 VanDerWaalsContact C-N 3.26Å; A39-V41 PolarHBondContact O-N 3.28Å; A39-V41 VanDerWaalsContact O-N 3.14Å |
| 40 | Q | 31.6 | Very low | 40.2 | Very low | 136 Ų | 136 | 93 Ų | 93 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -83.6 | 76.8 | 163.2 | -73.5 | -163.4 | -107.6 | 0 | 0 | 109.5 | K36 | K36-Q40 HydrophobicContact CG-CG 4.42Å; K36-Q40 VanDerWaalsContact O-CB 3.3Å; K36-Q40 WeakPolarHBondContact O-CB 3.29Å; K36-Q40 WeakPolarHBondContact O-CG 3.27Å; K36-Q40 PolarHBondContact O-N 3.31Å |
| 41 | V | 31.1 | Very low | 41.6 | Very low | 115 Ų | 115 | 95.8 Ų | 95.8 | 70% | 0.697 | 53% | 0.525 | S | S | * | . | trans | 60.3 | 90.5 | 173.8 | -167.6 | 0 | 0 | 0 | 0 | 112 | A39 P43 | A39-V41 VanDerWaalsContact C-N 3.26Å; A39-V41 PolarHBondContact O-N 3.28Å; A39-V41 VanDerWaalsContact O-N 3.14Å; V41-P43 HydrophobicContact CG1-CB 4.33Å; V41-P43 WeakPolarHBondContact O-CD 3.19Å | ||
| 42 | V | 24.6 | Very low | 43.2 | Very low | 88 Ų | 88 | 90.5 Ų | 90.5 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 107.7 | 137.1 | 171.6 | 0 | 0 | 0 | 0 | 105.5 | C38 N44 | C38-V42 WeakPolarHBondContact O-CG2 3.34Å; V42-N44 PolarHBondContact O-N 3.38Å | ||
| 43 | P | 29.7 | Very low | 44.8 | Very low | 78 Ų | 78 | 87.5 Ų | 87.5 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | trans | -67.8 | 113 | 156.3 | 30.7 | -27.6 | 0 | 0 | 0 | 104.2 | V41 E45 | V41-P43 HydrophobicContact CG1-CB 4.33Å; V41-P43 WeakPolarHBondContact O-CD 3.19Å; P43-E45 WeakPolarHBondContact O-CA 3.31Å; P43-E45 PolarHBondContact O-N 2.85Å | ||
| 44 | N | 27.1 | Very low | 46.3 | Very low | 134 Ų | 134 | 86.5 Ų | 86.5 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.9 | 117.3 | -178.4 | 177.1 | 53.6 | 0 | 0 | 0 | 109.8 | V42 N46 | V42-N44 PolarHBondContact O-N 3.38Å; N44-N46 VanDerWaalsContact O-CA 3.29Å; N44-N46 WeakPolarHBondContact O-CA 3.41Å; N44-N46 PolarHBondContact O-N 2.83Å |
| 45 | E | 34.8 | Very low | 48.4 | Very low | 172 Ų | 172 | 86.1 Ų | 86.1 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | 103.7 | -152.4 | -90.7 | -160.2 | 137 | 0 | 0 | 110.7 | P43 H47 | P43-E45 WeakPolarHBondContact O-CA 3.31Å; P43-E45 PolarHBondContact O-N 2.85Å; E45-H47 PolarHBondContact O-N 2.8Å |
| 46 | N | 42 | Very low | 50.3 | Low | 87 Ų | 87 | 80.9 Ų | 80.9 | 47% | 0.465 | 47% | 0.468 | S | S | . | . | trans | -79.2 | 79.7 | -160.9 | -112.7 | -17.8 | 0 | 0 | 0 | 107.5 | N44 A48 Q51 | N44-N46 VanDerWaalsContact O-CA 3.29Å; N44-N46 WeakPolarHBondContact O-CA 3.41Å; N44-N46 PolarHBondContact O-N 2.83Å; N46-A48 PolarHBondContact O-N 3.23Å; N46-Q51 HydrophobicContact CB-CG 3.84Å; N46-Q51 WeakPolarHBondContact O-CG 3.41Å; N46-Q51 PolarHBondContact O-NE2 2.83Å | ||
| 47 | H | 55.9 | Low | 52.4 | Low | 56 Ų | 56 | 77.8 Ų | 77.8 | 26% | 0.259 | 46% | 0.461 | S | S | . | . | trans | -44.6 | 128.7 | -175.6 | -164.7 | -109.4 | 0 | 0 | 0 | 108 | E45 G49 L50 Q51 A271 | E45-H47 PolarHBondContact O-N 2.8Å; H47-G49 CarbonylContact O-C 3.56Å; H47-G49 PolarHBondContact O-N 3.39Å; H47-L50 HydrophobicContact CB-CB 4.25Å; H47-L50 HydrophobicContact CB-CD1 3.93Å; H47-L50 HydrophobicContact CB-CG 4.03Å; H47-L50 WeakPolarHBondContact O-CA 3.46Å; H47-L50 WeakPolarHBondContact O-CB 3.42Å; H47-L50 PolarHBondContact O-N 2.74Å; H47-Q51 PolarHBondContact O-N 2.96Å; H47-Q51 VanDerWaalsContact O-N 3.08Å; H47-A271 VanDerWaalsContact ND1-CB 3.26Å; H47-A271 WeakPolarHBondContact ND1-CB 3.1Å | ||
| 48 | A | 59.2 | Low | 54.3 | Low | 46 Ų | 46 | 75.8 Ų | 75.8 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.3 | -19.4 | -161 | 0 | 0 | 0 | 0 | 0 | 113.7 | N46 L267 | N46-A48 PolarHBondContact O-N 3.23Å; A48-L267 HydrophobicContact CB-CD1 4.15Å; A48-L267 HydrophobicContact CB-CD2 4.08Å |
| 49 | G | 58.3 | Low | 56.2 | Low | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -79.4 | -33.6 | 167 | 0 | 0 | 0 | 0 | 0 | 115.8 | H47 Q51 V52 L53 L267 | H47-G49 CarbonylContact O-C 3.56Å; H47-G49 PolarHBondContact O-N 3.39Å; G49-Q51 VanDerWaalsContact C-N 3.28Å; G49-Q51 PolarHBondContact O-N 2.74Å; G49-V52 WeakPolarHBondContact O-CB 3.18Å; G49-V52 PolarHBondContact O-N 2.87Å; G49-V52 VanDerWaalsContact O-N 3.11Å; G49-L53 PolarHBondContact O-N 2.91Å; G49-L267 VanDerWaalsContact CA-C 3.42Å; G49-L267 VanDerWaalsContact CA-O 3.24Å; G49-L267 WeakPolarHBondContact CA-O 3.27Å |
| 50 | L | 66.3 | Low | 58.1 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 41% | 0.414 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | 170.7 | -68 | 178.7 | 0 | 0 | 0 | 111.5 | H47 V52 L53 A54 A271 | H47-L50 HydrophobicContact CB-CB 4.25Å; H47-L50 HydrophobicContact CB-CD1 3.93Å; H47-L50 HydrophobicContact CB-CG 4.03Å; H47-L50 WeakPolarHBondContact O-CA 3.46Å; H47-L50 WeakPolarHBondContact O-CB 3.42Å; H47-L50 PolarHBondContact O-N 2.74Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-L53 HydrophobicContact CD2-CD2 4.11Å; L50-L53 PolarHBondContact O-N 2.81Å; L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.27Å; L50-A271 HydrophobicContact CG-CB 4.32Å |
| 51 | Q | 72.9 | Confident | 59.4 | Low | 108 Ų | 108 | 69.1 Ų | 69.1 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 168.7 | -65 | -172.4 | 32.9 | 0 | 0 | 112.3 | N46 H47 G49 A54 T55 | N46-Q51 HydrophobicContact CB-CG 3.84Å; N46-Q51 WeakPolarHBondContact O-CG 3.41Å; N46-Q51 PolarHBondContact O-NE2 2.83Å; H47-Q51 PolarHBondContact O-N 2.96Å; H47-Q51 VanDerWaalsContact O-N 3.08Å; G49-Q51 VanDerWaalsContact C-N 3.28Å; G49-Q51 PolarHBondContact O-N 2.74Å; Q51-A54 PolarHBondContact O-N 3.3Å; Q51-T55 PolarHBondContact O-N 3.37Å |
| 52 | V | 78.2 | Confident | 60.4 | Low | 10 Ų | 10 | 64.3 Ų | 64.3 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | G49 L50 T55 W256 L260 Q264 | G49-V52 WeakPolarHBondContact O-CB 3.18Å; G49-V52 PolarHBondContact O-N 2.87Å; G49-V52 VanDerWaalsContact O-N 3.11Å; L50-V52 VanDerWaalsContact C-N 3.34Å; V52-T55 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact O-OG1 2.84Å; V52-W256 HydrophobicContact CG1-CZ2 4.33Å; V52-W256 PolarHBondContact O-NE1 2.95Å; V52-L260 HydrophobicContact CG1-CD1 3.83Å; V52-L260 HydrophobicContact CG1-CD2 4.07Å; V52-Q264 HydrophobicContact CG1-CB 4.1Å; V52-Q264 HydrophobicContact CG2-CB 3.84Å; V52-Q264 HydrophobicContact CG2-CG 3.88Å |
| 53 | L | 78.8 | Confident | 61 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 175.1 | -172.6 | 57.9 | 0 | 0 | 0 | 112.6 | G49 L50 T55 A56 Y59 A254 W256 Y268 | G49-L53 PolarHBondContact O-N 2.91Å; L50-L53 HydrophobicContact CD2-CD2 4.11Å; L50-L53 PolarHBondContact O-N 2.81Å; L53-T55 PolarHBondContact O-N 3.43Å; L53-T55 VanDerWaalsContact O-N 3.13Å; L53-A56 HydrophobicContact CD1-CB 4.49Å; L53-A56 WeakPolarHBondContact O-CB 3.42Å; L53-A56 PolarHBondContact O-N 2.75Å; L53-Y59 HydrophobicContact CD1-CD1 4.19Å; L53-Y59 HydrophobicContact CD1-CD2 3.72Å; L53-Y59 HydrophobicContact CD1-CE1 4.34Å; L53-Y59 HydrophobicContact CD1-CE2 3.88Å; L53-Y59 HydrophobicContact CD1-CG 3.89Å; L53-Y59 HydrophobicContact CD2-CD1 4.39Å; L53-Y59 HydrophobicContact CD2-CE1 3.88Å; L53-Y59 HydrophobicContact CD2-CE2 4.37Å; L53-Y59 HydrophobicContact CG-CD1 4.33Å; L53-Y59 HydrophobicContact CG-CE1 4.32Å; L53-A254 HydrophobicContact CD1-CB 4.34Å; L53-W256 HydrophobicContact CD1-CH2 4.5Å; L53-W256 HydrophobicContact CD1-CZ2 4.31Å; L53-Y268 HydrophobicContact CB-CD2 4.19Å; L53-Y268 HydrophobicContact CB-CE2 4.38Å; L53-Y268 HydrophobicContact CD1-CD2 4.43Å; L53-Y268 HydrophobicContact CD1-CE2 3.85Å; L53-Y268 HydrophobicContact CD2-CE2 4.33Å; L53-Y268 HydrophobicContact CG-CE2 4.42Å |
| 54 | A | 72.8 | Confident | 61.4 | Low | 87 Ų | 87 | 64 Ų | 64 | 72% | 0.719 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -9.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | L50 Q51 | L50-A54 WeakPolarHBondContact O-CB 3.48Å; L50-A54 PolarHBondContact O-N 3.27Å; Q51-A54 PolarHBondContact O-N 3.3Å |
| 55 | T | 81.3 | Confident | 61.8 | Low | 67 Ų | 67 | 61.4 Ų | 61.4 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.1 | 167.8 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | Q51 V52 L53 W256 R258 | Q51-T55 PolarHBondContact O-N 3.37Å; V52-T55 PolarHBondContact O-N 2.89Å; V52-T55 PolarHBondContact O-OG1 2.84Å; L53-T55 PolarHBondContact O-N 3.43Å; L53-T55 VanDerWaalsContact O-N 3.13Å; T55-W256 VanDerWaalsContact C-CD1 3.47Å; T55-R258 PolarHBondContact OG1-NH2 3.35Å |
| 56 | A | 80.6 | Confident | 61.6 | Low | 23 Ų | 23 | 60.7 Ų | 60.7 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | trans | -62.2 | 138.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L53 H58 I255 W256 | L53-A56 HydrophobicContact CD1-CB 4.49Å; L53-A56 WeakPolarHBondContact O-CB 3.42Å; L53-A56 PolarHBondContact O-N 2.75Å; A56-H58 VanDerWaalsContact C-N 3.35Å; A56-I255 CarbonylContact C-O 3.6Å; A56-W256 VanDerWaalsContact CA-CD1 3.49Å; A56-W256 HydrophobicContact CB-CD2 4.26Å; A56-W256 HydrophobicContact CB-CZ2 4.09Å | ||
| 57 | S | 79.3 | Confident | 61 | Low | 50 Ų | 50 | 57.9 Ų | 57.9 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.1 | -29.4 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | I255 K257 | S57-I255 PolarHBondContact N-O 2.99Å; S57-K257 PolarHBondContact OG-N 2.89Å |
| 58 | H | 73.1 | Confident | 59.9 | Low | 67 Ų | 67 | 56.8 Ų | 56.8 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 141.2 | 171 | -53.7 | -77 | 0 | 0 | 0 | 109.1 | A56 W60 Y114 I255 K257 | A56-H58 VanDerWaalsContact C-N 3.35Å; H58-W60 HydrophobicContact CB-CE3 4.3Å; H58-W60 HydrophobicContact CB-CH2 3.44Å; H58-W60 VanDerWaalsContact CB-CH2 3.44Å; H58-W60 HydrophobicContact CB-CZ2 4.24Å; H58-W60 HydrophobicContact CB-CZ3 3.46Å; H58-W60 VanDerWaalsContact CB-CZ3 3.46Å; H58-Y114 AromaticContact CE1-CE1 3.7Å; H58-Y114 AromaticContact NE2-CD1 3.61Å; H58-Y114 AromaticContact NE2-CE1 3.16Å; H58-Y114 WeakPolarHBondContact NE2-CE1 3.33Å; H58-I255 HydrophobicContact CB-CB 4.43Å; H58-I255 HydrophobicContact CB-CD1 4.39Å; H58-I255 PolarHBondContact N-O 3.19Å; H58-I255 PolarHBondContact O-N 2.79Å; H58-K257 WeakPolarHBondContact NE2-CE 3.31Å; H58-K257 PolarHBondContact NE2-NZ 2.94Å; H58-K257 VanDerWaalsContact NE2-NZ 3.12Å |
| 59 | Y | 72.4 | Confident | 58.6 | Low | 73 Ų | 73 | 62.5 Ų | 62.5 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 137 | 178.7 | 176 | -128.8 | 0 | 0 | 0 | 110.4 | L53 P61 E252 F253 A254 | L53-Y59 HydrophobicContact CD1-CD1 4.19Å; L53-Y59 HydrophobicContact CD1-CD2 3.72Å; L53-Y59 HydrophobicContact CD1-CE1 4.34Å; L53-Y59 HydrophobicContact CD1-CE2 3.88Å; L53-Y59 HydrophobicContact CD1-CG 3.89Å; L53-Y59 HydrophobicContact CD2-CD1 4.39Å; L53-Y59 HydrophobicContact CD2-CE1 3.88Å; L53-Y59 HydrophobicContact CD2-CE2 4.37Å; L53-Y59 HydrophobicContact CG-CD1 4.33Å; L53-Y59 HydrophobicContact CG-CE1 4.32Å; Y59-P61 HydrophobicContact CD1-CG 4.34Å; Y59-P61 HydrophobicContact CE1-CB 3.82Å; Y59-P61 HydrophobicContact CE1-CG 3.85Å; Y59-E252 HydrophobicContact CE2-CB 4.32Å; Y59-F253 WeakPolarHBondContact CD2-O 3.32Å; Y59-A254 HydrophobicContact CD2-CB 3.81Å; Y59-A254 HydrophobicContact CE2-CB 4.48Å |
| 60 | W | 70.3 | Confident | 57.4 | Low | 41 Ų | 41 | 65.6 Ų | 65.6 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 94.1 | 178 | -65.1 | -93.9 | 0 | 0 | 0 | 110.3 | H58 F111 Y114 F253 I255 | H58-W60 HydrophobicContact CB-CE3 4.3Å; H58-W60 HydrophobicContact CB-CH2 3.44Å; H58-W60 VanDerWaalsContact CB-CH2 3.44Å; H58-W60 HydrophobicContact CB-CZ2 4.24Å; H58-W60 HydrophobicContact CB-CZ3 3.46Å; H58-W60 VanDerWaalsContact CB-CZ3 3.46Å; W60-F111 HydrophobicContact CD2-CD1 4.18Å; W60-F111 HydrophobicContact CE3-CD1 4.49Å; W60-F111 HydrophobicContact CG-CD1 4.5Å; W60-F111 HydrophobicContact CH2-CB 4.27Å; W60-F111 HydrophobicContact CZ2-CB 4.09Å; W60-F111 HydrophobicContact CZ2-CD1 4.43Å; W60-F111 WeakPolarHBondContact CZ2-O 3.32Å; W60-Y114 VanDerWaalsContact CH2-OH 3.28Å; W60-Y114 WeakPolarHBondContact CH2-OH 3.48Å; W60-Y114 VanDerWaalsContact CZ2-OH 3.29Å; W60-Y114 WeakPolarHBondContact CZ2-OH 2.98Å; W60-F253 HydrophobicContact CE3-CB 4.37Å; W60-F253 AromaticContact CE3-CD1 3.87Å; W60-F253 HydrophobicContact CE3-CD1 3.87Å; W60-F253 AromaticContact CZ3-CD1 3.86Å; W60-F253 HydrophobicContact CZ3-CD1 3.86Å; W60-F253 HydrophobicContact CZ3-CE1 4.43Å; W60-F253 PolarHBondContact N-O 3.26Å; W60-F253 PolarHBondContact O-N 2.99Å; W60-I255 HydrophobicContact CH2-CD1 4.02Å; W60-I255 HydrophobicContact CZ3-CD1 3.8Å; W60-I255 HydrophobicContact CZ3-CG1 4.11Å |
| 61 | P | 58.4 | Low | 55.8 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -72.9 | 125.6 | 167.4 | 29.2 | -29.9 | 0 | 0 | 0 | 109.4 | Y59 D63 V64 | Y59-P61 HydrophobicContact CD1-CG 4.34Å; Y59-P61 HydrophobicContact CE1-CB 3.82Å; Y59-P61 HydrophobicContact CE1-CG 3.85Å; P61-D63 PolarHBondContact O-N 3.2Å; P61-V64 PolarHBondContact O-N 2.98Å | ||
| 62 | L | 53.1 | Low | 54 | Low | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0 | -179.7 | -58.2 | -173.3 | 0 | 0 | 0 | 113.6 | V64 V65 I68 K96 I98 | L62-V64 PolarHBondContact O-N 3.42Å; L62-V65 HydrophobicContact CB-CG2 4.44Å; L62-V65 WeakPolarHBondContact O-CG2 3.16Å; L62-I68 HydrophobicContact CD2-CD1 4.19Å; L62-K96 WeakPolarHBondContact CB-O 3.39Å; L62-I98 HydrophobicContact CD1-CD1 3.87Å; L62-I98 HydrophobicContact CD1-CG1 3.99Å; L62-I98 HydrophobicContact CD2-CD1 4.14Å |
| 63 | D | 37 | Very low | 51.8 | Low | 55 Ų | 55 | 60.6 Ų | 60.6 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29 | 167.2 | -55 | -60.8 | 0 | 0 | 0 | 112.6 | P61 N95 | P61-D63 PolarHBondContact O-N 3.2Å; D63-N95 VanDerWaalsContact OD1-CB 3.23Å; D63-N95 WeakPolarHBondContact OD1-CB 3.35Å; D63-N95 PolarHBondContact OD1-N 3.5Å; D63-N95 PolarHBondContact OD1-ND2 3.08Å |
| 64 | V | 38.6 | Very low | 49.6 | Very low | 104 Ų | 104 | 65.2 Ų | 65.2 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -130.8 | 79.9 | -177.6 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | P61 L62 D66 | P61-V64 PolarHBondContact O-N 2.98Å; L62-V64 PolarHBondContact O-N 3.42Å; V64-D66 PolarHBondContact O-N 3.14Å |
| 65 | V | 35.3 | Very low | 47.7 | Very low | 80 Ų | 80 | 66.3 Ų | 66.3 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | trans | -79 | 62.2 | -179.1 | -162.3 | 0 | 0 | 0 | 0 | 112.5 | L62 I68 | L62-V65 HydrophobicContact CB-CG2 4.44Å; L62-V65 WeakPolarHBondContact O-CG2 3.16Å; V65-I68 HydrophobicContact CG1-CD1 4.2Å | ||
| 66 | D | 30.1 | Very low | 45.4 | Very low | 158 Ų | 158 | 65.7 Ų | 65.7 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | trans | -107.8 | 86.3 | 156 | -97.1 | -40.9 | 0 | 0 | 0 | 107.3 | V64 | V64-D66 PolarHBondContact O-N 3.14Š| ||
| 67 | G | 28.8 | Very low | 42.9 | Very low | 28 Ų | 28 | 70.8 Ų | 70.8 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | trans | 172.2 | -21.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | H69 | G67-H69 PolarHBondContact O-N 3Å; G67-H69 VanDerWaalsContact O-N 3.15Å | ||
| 68 | I | 32.7 | Very low | 40.4 | Very low | 33 Ų | 33 | 72.2 Ų | 72.2 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | trans | -84 | 90.2 | 170.3 | -59.7 | 166.4 | 0 | 0 | 0 | 107.3 | L62 V65 E70 L71 I98 L109 | L62-I68 HydrophobicContact CD2-CD1 4.19Å; V65-I68 HydrophobicContact CG1-CD1 4.2Å; I68-E70 PolarHBondContact O-N 2.88Å; I68-L71 HydrophobicContact CG2-CD1 3.91Å; I68-I98 HydrophobicContact CD1-CD1 3.39Å; I68-L109 HydrophobicContact CD1-CD2 4.05Å; I68-L109 HydrophobicContact CG2-CD2 3.96Å | ||
| 69 | H | 32.9 | Very low | 38.3 | Very low | 166 Ų | 166 | 73.1 Ų | 73.1 | 77% | 0.769 | 42% | 0.419 | S | S | * | . | trans | -74.2 | -21.7 | -170.2 | -78.3 | -54.8 | 0 | 0 | 0 | 114.6 | G67 | G67-H69 PolarHBondContact O-N 3Å; G67-H69 VanDerWaalsContact O-N 3.15Å | ||
| 70 | E | 32.6 | Very low | 36.3 | Very low | 66 Ų | 66 | 77.5 Ų | 77.5 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | trans | -151.2 | 143.9 | 179.7 | -107.7 | 154.8 | -135.9 | 0 | 0 | 112.2 | I68 L72 Y81 Y110 | I68-E70 PolarHBondContact O-N 2.88Å; E70-L72 HydrophobicContact CB-CG 4.46Å; E70-Y81 VanDerWaalsContact CD-OH 3.24Å; E70-Y81 HydrophobicContact CG-CD1 3.93Å; E70-Y81 HydrophobicContact CG-CE1 3.37Å; E70-Y81 WeakPolarHBondContact OE1-CE1 3.13Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.28Å; E70-Y81 PolarHBondContact OE1-OH 2.86Å; E70-Y110 WeakPolarHBondContact O-CB 3.44Å | ||
| 71 | L | 33.4 | Very low | 34.5 | Very low | 35 Ų | 35 | 83.3 Ų | 83.3 | 18% | 0.183 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.8 | 156.3 | -75.6 | 104.6 | 0 | 0 | 0 | 108.5 | I68 V82 I87 L107 F108 L109 | I68-L71 HydrophobicContact CG2-CD1 3.91Å; L71-V82 HydrophobicContact CB-CB 4.25Å; L71-V82 HydrophobicContact CB-CG2 4.23Å; L71-V82 WeakPolarHBondContact O-CB 3.03Å; L71-V82 WeakPolarHBondContact O-CG2 3.48Å; L71-V82 PolarHBondContact O-N 2.96Å; L71-I87 HydrophobicContact CB-CD1 4.36Å; L71-I87 HydrophobicContact CD1-CD1 3.83Å; L71-I87 HydrophobicContact CD2-CD1 3.72Å; L71-I87 HydrophobicContact CG-CD1 4.18Å; L71-L107 HydrophobicContact CB-CD1 4.46Å; L71-L107 HydrophobicContact CD2-CD1 3.74Å; L71-L107 HydrophobicContact CD2-CG 4.03Å; L71-F108 WeakPolarHBondContact CA-O 3.44Å; L71-L109 HydrophobicContact CD1-CD2 4.22Å; L71-L109 HydrophobicContact CD2-CD2 3.66Å; L71-L109 HydrophobicContact CD2-CG 3.91Å; L71-L109 HydrophobicContact CG-CD2 4.06Å |
| 72 | L | 34.2 | Very low | 33.3 | Very low | 26 Ų | 26 | 82.8 Ų | 82.8 | 14% | 0.136 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 149.8 | -171 | -69.4 | 164.7 | 0 | 0 | 0 | 110.4 | E70 P79 R80 Y81 F108 | E70-L72 HydrophobicContact CB-CG 4.46Å; L72-P79 HydrophobicContact CD2-CB 4.2Å; L72-R80 CarbonylContact C-O 3.49Å; L72-R80 WeakPolarHBondContact CA-O 2.92Å; L72-R80 WeakPolarHBondContact CD2-O 3.35Å; L72-Y81 HydrophobicContact CD2-CD2 4.28Å; L72-Y81 HydrophobicContact CD2-CE2 4.46Å; L72-Y81 HydrophobicContact CD2-CG 4.37Å; L72-F108 PolarHBondContact N-O 3.01Å; L72-F108 WeakPolarHBondContact O-CB 3.24Å; L72-F108 WeakPolarHBondContact O-CD2 3.31Å |
| 73 | D | 32.1 | Very low | 32.3 | Very low | 30 Ų | 30 | 86.7 Ų | 86.7 | 16% | 0.16 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 106.2 | 173.8 | -159.7 | -21.9 | 0 | 0 | 0 | 108.1 | I75 R80 V82 S105 | D73-I75 PolarHBondContact O-N 2.02Å; D73-I75 WeakPolarHBondContact OD1-CG1 3.32Å; D73-R80 PolarHBondContact N-O 3.15Å; D73-R80 PolarHBondContact O-N 2.93Å; D73-V82 HydrophobicContact CB-CG2 3.89Å; D73-S105 VanDerWaalsContact OD2-CB 3.25Å; D73-S105 WeakPolarHBondContact OD2-CB 3.49Å; D73-S105 PolarHBondContact OD2-OG 3.2Å |
| 74 | Q | 33.8 | Very low | 32.2 | Very low | 121 Ų | 121 | 87 Ų | 87 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | trans | -89.5 | 83.4 | 176.9 | -86.6 | -165.5 | -6.9 | 0 | 0 | 111.3 | ||||
| 75 | I | 31.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 87 Ų | 87 | 56% | 0.559 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -103 | 89.9 | 161.5 | -57.4 | 178.7 | 0 | 0 | 0 | 108.4 | D73 | D73-I75 PolarHBondContact O-N 2.02Å; D73-I75 WeakPolarHBondContact OD1-CG1 3.32Å |
| 76 | G | 32.8 | Very low | 32 | Very low | 54 Ų | 54 | 86.6 Ų | 86.6 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | S | Bend | trans | 102.3 | 171.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S78 | G76-S78 PolarHBondContact O-N 2.97Š|
| 77 | S | 28.3 | Very low | 32.7 | Very low | 131 Ų | 131 | 81.2 Ų | 81.2 | 92% | 0.916 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -77.1 | 43.1 | -174.7 | 57 | 0 | 0 | 0 | 0 | 113.9 | ||
| 78 | S | 27.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 84 Ų | 84 | 56% | 0.559 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -157 | 127.4 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | G76 R80 | G76-S78 PolarHBondContact O-N 2.97Å; S78-R80 PolarHBondContact O-N 2.72Å |
| 79 | P | 29.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 88 Ų | 88 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | trans | -65.4 | 133.5 | -178.2 | 26.5 | -33.6 | 0 | 0 | 0 | 111.3 | L72 | L72-P79 HydrophobicContact CD2-CB 4.2Š| ||
| 80 | R | 28.7 | Very low | 34.2 | Very low | 165 Ų | 165 | 82 Ų | 82 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 144.5 | 165.7 | -60.5 | -170.6 | -148.6 | -159.1 | 5.9 | 110 | L72 D73 S78 | L72-R80 CarbonylContact C-O 3.49Å; L72-R80 WeakPolarHBondContact CA-O 2.92Å; L72-R80 WeakPolarHBondContact CD2-O 3.35Å; D73-R80 PolarHBondContact N-O 3.15Å; D73-R80 PolarHBondContact O-N 2.93Å; S78-R80 PolarHBondContact O-N 2.72Å |
| 81 | Y | 33.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 86.9 Ų | 86.9 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136.4 | 173.5 | -73.6 | -109.6 | 0 | 0 | 0 | 110.3 | E70 L72 S83 | E70-Y81 VanDerWaalsContact CD-OH 3.24Å; E70-Y81 HydrophobicContact CG-CD1 3.93Å; E70-Y81 HydrophobicContact CG-CE1 3.37Å; E70-Y81 WeakPolarHBondContact OE1-CE1 3.13Å; E70-Y81 VanDerWaalsContact OE1-CZ 3.28Å; E70-Y81 PolarHBondContact OE1-OH 2.86Å; L72-Y81 HydrophobicContact CD2-CD2 4.28Å; L72-Y81 HydrophobicContact CD2-CE2 4.46Å; L72-Y81 HydrophobicContact CD2-CG 4.37Å; Y81-S83 PolarHBondContact O-N 2.89Å |
| 82 | V | 33.8 | Very low | 35.3 | Very low | 36 Ų | 36 | 85.8 Ų | 85.8 | 22% | 0.218 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 122.9 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 109.1 | L71 D73 G84 I87 L107 | L71-V82 HydrophobicContact CB-CB 4.25Å; L71-V82 HydrophobicContact CB-CG2 4.23Å; L71-V82 WeakPolarHBondContact O-CB 3.03Å; L71-V82 WeakPolarHBondContact O-CG2 3.48Å; L71-V82 PolarHBondContact O-N 2.96Å; D73-V82 HydrophobicContact CB-CG2 3.89Å; V82-G84 PolarHBondContact O-N 3.18Å; V82-I87 HydrophobicContact CG1-CD1 4.49Å; V82-L107 HydrophobicContact CB-CD1 4.47Å; V82-L107 HydrophobicContact CG1-CD1 4.01Å; V82-L107 HydrophobicContact CG2-CD1 3.84Å |
| 83 | S | 30.3 | Very low | 35.7 | Very low | 96 Ų | 96 | 86.6 Ų | 86.6 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 129.2 | 164.6 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | Y81 S85 | Y81-S83 PolarHBondContact O-N 2.89Å; S83-S85 PolarHBondContact O-N 2.91Å |
| 84 | G | 34.9 | Very low | 36.1 | Very low | 62 Ų | 62 | 89.3 Ų | 89.3 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -70.3 | 29.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | V82 | V82-G84 PolarHBondContact O-N 3.18Š|
| 85 | S | 31.8 | Very low | 36.8 | Very low | 103 Ų | 103 | 88.2 Ų | 88.2 | 72% | 0.72 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -94.8 | 1.7 | -175.8 | 57.6 | 0 | 0 | 0 | 0 | 115.5 | S83 | S83-S85 PolarHBondContact O-N 2.91Š|
| 86 | K | 38.7 | Very low | 37.4 | Very low | 72 Ų | 72 | 88.5 Ų | 88.5 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -118 | 4.6 | 177 | -67 | -168.7 | -175 | 178.2 | 0 | 114.9 | D103 S105 | K86-D103 PolarHBondContact NZ-O 2.8Å; K86-S105 PolarHBondContact NZ-OG 3.14Å |
| 87 | I | 43.7 | Very low | 38.1 | Very low | 44 Ų | 44 | 85.9 Ų | 85.9 | 23% | 0.226 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 100.7 | -175.5 | -45.1 | 178 | 0 | 0 | 0 | 108 | L71 V82 I98 L107 | L71-I87 HydrophobicContact CB-CD1 4.36Å; L71-I87 HydrophobicContact CD1-CD1 3.83Å; L71-I87 HydrophobicContact CD2-CD1 3.72Å; L71-I87 HydrophobicContact CG-CD1 4.18Å; V82-I87 HydrophobicContact CG1-CD1 4.49Å; I87-I98 HydrophobicContact CG2-CG2 4.07Å; I87-L107 HydrophobicContact CD1-CD1 4.34Å; I87-L107 HydrophobicContact CG1-CD1 4.47Å; I87-L107 HydrophobicContact CG1-CD2 4.03Å |
| 88 | N | 42 | Very low | 39.4 | Very low | 88 Ų | 88 | 80.5 Ų | 80.5 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 149.3 | 170.6 | -63.1 | -48.4 | 0 | 0 | 0 | 109.3 | F99 | N88-F99 HydrophobicContact CB-CB 3.96Å; N88-F99 HydrophobicContact CB-CD1 3.81Å; N88-F99 HydrophobicContact CB-CG 4.2Å; N88-F99 WeakPolarHBondContact O-CB 3.42Å; N88-F99 PolarHBondContact O-N 2.86Å |
| 89 | I | 43.3 | Very low | 40.8 | Very low | 117 Ų | 117 | 77.2 Ų | 77.2 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.9 | 167.6 | -58.7 | 175.6 | 0 | 0 | 0 | 106.2 | K96 | I89-K96 HydrophobicContact CG2-CB 3.84Å; I89-K96 HydrophobicContact CG2-CD 4.07Å; I89-K96 HydrophobicContact CG2-CG 3.95Å |
| 90 | V | 42.1 | Very low | 42 | Very low | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 163.2 | 179.6 | -73.5 | 0 | 0 | 0 | 0 | 110.1 | G92 K96 G97 F99 A249 | V90-G92 PolarHBondContact O-N 3.21Å; V90-K96 CarbonylContact O-C 3.48Å; V90-K96 WeakPolarHBondContact O-CA 3.44Å; V90-G97 WeakPolarHBondContact CG2-O 3.37Å; V90-G97 PolarHBondContact N-O 2.9Å; V90-G97 PolarHBondContact O-N 3.11Å; V90-F99 HydrophobicContact CG1-CB 3.97Å; V90-F99 HydrophobicContact CG1-CD2 4.1Å; V90-F99 HydrophobicContact CG1-CG 4.26Å; V90-F99 HydrophobicContact CG2-CB 4.19Å; V90-A249 HydrophobicContact CG2-CB 3.84Å |
| 91 | E | 39.7 | Very low | 43 | Very low | 169 Ų | 169 | 68.2 Ų | 68.2 | 79% | 0.79 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 124.2 | 174.7 | -158.7 | 164.3 | -148.9 | 0 | 0 | 110.1 | ||
| 92 | G | 48.1 | Very low | 43.7 | Very low | 12 Ų | 12 | 61 Ų | 61 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | trans | -81.9 | -155.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V90 N95 W191 D251 | V90-G92 PolarHBondContact O-N 3.21Å; G92-N95 PolarHBondContact N-O 3.28Å; G92-W191 PolarHBondContact O-NE1 2.73Å; G92-W191 VanDerWaalsContact O-NE1 3.16Å; G92-D251 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 93 | V | 42.8 | Very low | 44.2 | Very low | 42 Ų | 42 | 63.7 Ų | 63.7 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -83.6 | -39.1 | 166.6 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | F135 W191 D251 | V93-F135 HydrophobicContact CG2-CB 4.39Å; V93-F135 HydrophobicContact CG2-CD1 3.94Å; V93-F135 HydrophobicContact CG2-CE1 4.31Å; V93-F135 HydrophobicContact CG2-CG 4.08Å; V93-W191 HydrophobicContact CG2-CB 4.03Å; V93-W191 HydrophobicContact CG2-CD2 3.87Å; V93-W191 HydrophobicContact CG2-CE3 4.46Å; V93-W191 HydrophobicContact CG2-CG 3.66Å; V93-D251 PolarHBondContact N-OD2 2.77Å |
| 94 | H | 41.3 | Very low | 44.7 | Very low | 87 Ų | 87 | 64.1 Ų | 64.1 | 40% | 0.403 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -111.6 | -38.5 | 176.1 | -70.8 | -72.1 | 0 | 0 | 0 | 114.3 | E252 A272 | H94-E252 IonicContact CD2-OE1 2.69Å; H94-E252 PolarHBondContact CD2-OE1 2.73Å; H94-E252 VanDerWaalsContact CD2-OE1 3.3Å; H94-E252 IonicContact NE2-OE1 2.62Å; H94-A272 PolarHBondContact NE2-O 2.79Å |
| 95 | N | 48 | Very low | 45 | Very low | 99 Ų | 99 | 62.2 Ų | 62.2 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -143.5 | -58.4 | 165 | -66.5 | -93.4 | 0 | 0 | 0 | 113.7 | D63 G92 | D63-N95 VanDerWaalsContact OD1-CB 3.23Å; D63-N95 WeakPolarHBondContact OD1-CB 3.35Å; D63-N95 PolarHBondContact OD1-N 3.5Å; D63-N95 PolarHBondContact OD1-ND2 3.08Å; G92-N95 PolarHBondContact N-O 3.28Å |
| 96 | K | 44.6 | Very low | 45.7 | Very low | 114 Ų | 114 | 57.7 Ų | 57.7 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 121.5 | -164 | -73.1 | 173.1 | -178 | 172.8 | 0 | 112.9 | L62 I89 V90 | L62-K96 WeakPolarHBondContact CB-O 3.39Å; I89-K96 HydrophobicContact CG2-CB 3.84Å; I89-K96 HydrophobicContact CG2-CD 4.07Å; I89-K96 HydrophobicContact CG2-CG 3.95Å; V90-K96 CarbonylContact O-C 3.48Å; V90-K96 WeakPolarHBondContact O-CA 3.44Å |
| 97 | G | 47.8 | Very low | 45.8 | Very low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 162 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 F250 | V90-G97 WeakPolarHBondContact CG2-O 3.37Å; V90-G97 PolarHBondContact N-O 2.9Å; V90-G97 PolarHBondContact O-N 3.11Å; G97-F250 WeakPolarHBondContact CA-O 3.34Å |
| 98 | I | 54.9 | Low | 46 | Very low | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.5 | -179 | -67.9 | 165 | 0 | 0 | 0 | 110.4 | L62 I68 I87 L100 L109 A249 F250 | L62-I98 HydrophobicContact CD1-CD1 3.87Å; L62-I98 HydrophobicContact CD1-CG1 3.99Å; L62-I98 HydrophobicContact CD2-CD1 4.14Å; I68-I98 HydrophobicContact CD1-CD1 3.39Å; I87-I98 HydrophobicContact CG2-CG2 4.07Å; I98-L100 HydrophobicContact CG2-CD2 3.7Å; I98-L100 HydrophobicContact CG2-CG 4.39Å; I98-L109 HydrophobicContact CD1-CD2 4.24Å; I98-A249 CarbonylContact O-C 3.48Å; I98-A249 WeakPolarHBondContact O-CA 3.13Å; I98-F250 PolarHBondContact N-O 3.09Å; I98-F250 PolarHBondContact O-N 3.08Å |
| 99 | F | 56.8 | Low | 46.2 | Very low | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.9 | 174.2 | -173.1 | -104.1 | 0 | 0 | 0 | 110.7 | N88 V90 D101 Q139 T247 | N88-F99 HydrophobicContact CB-CB 3.96Å; N88-F99 HydrophobicContact CB-CD1 3.81Å; N88-F99 HydrophobicContact CB-CG 4.2Å; N88-F99 WeakPolarHBondContact O-CB 3.42Å; N88-F99 PolarHBondContact O-N 2.86Å; V90-F99 HydrophobicContact CG1-CB 3.97Å; V90-F99 HydrophobicContact CG1-CD2 4.1Å; V90-F99 HydrophobicContact CG1-CG 4.26Å; V90-F99 HydrophobicContact CG2-CB 4.19Å; F99-D101 HydrophobicContact CD1-CB 4.18Å; F99-D101 HydrophobicContact CE1-CB 3.85Å; F99-Q139 HydrophobicContact CE2-CB 4.4Å; F99-Q139 VanDerWaalsContact CE2-CD 3.47Å; F99-Q139 HydrophobicContact CE2-CG 4.31Å; F99-T247 HydrophobicContact CD1-CG2 4.35Å; F99-T247 HydrophobicContact CE1-CG2 3.55Å; F99-T247 HydrophobicContact CE2-CG2 3.72Å; F99-T247 HydrophobicContact CZ-CG2 3.2Å |
| 100 | L | 55 | Low | 46.5 | Very low | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 101 | -178.9 | -54.4 | 176.1 | 0 | 0 | 0 | 109.6 | I98 C102 L107 L109 L234 T247 R248 F250 | I98-L100 HydrophobicContact CG2-CD2 3.7Å; I98-L100 HydrophobicContact CG2-CG 4.39Å; L100-C102 PolarHBondContact O-N 3.08Å; L100-L107 HydrophobicContact CB-CD2 4.2Å; L100-L107 HydrophobicContact CD2-CD2 3.49Å; L100-L107 VanDerWaalsContact CD2-CD2 3.49Å; L100-L107 HydrophobicContact CD2-CG 4.08Å; L100-L107 HydrophobicContact CG-CD2 4.43Å; L100-L109 HydrophobicContact CD1-CD1 4.42Å; L100-L109 HydrophobicContact CD2-CD1 4.3Å; L100-L234 HydrophobicContact CD1-CD2 3.45Å; L100-L234 VanDerWaalsContact CD1-CD2 3.45Å; L100-T247 WeakPolarHBondContact O-CG2 3.49Å; L100-R248 PolarHBondContact N-O 2.9Å; L100-R248 VanDerWaalsContact N-O 3.12Å; L100-F250 HydrophobicContact CD1-CD2 3.85Å; L100-F250 HydrophobicContact CD1-CE2 3.89Å |
| 101 | D | 49.1 | Very low | 47 | Very low | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | trans | -92.3 | 90.7 | 178.8 | -148.6 | -8 | 0 | 0 | 0 | 111.2 | F99 D103 T247 | F99-D101 HydrophobicContact CD1-CB 4.18Å; F99-D101 HydrophobicContact CE1-CB 3.85Å; D101-D103 PolarHBondContact O-N 2.77Å; D101-T247 HydrophobicContact CB-CG2 4.1Å; D101-T247 VanDerWaalsContact OD1-CG2 3.28Å; D101-T247 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 102 | C | 48.5 | Very low | 47.3 | Very low | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.081 | 21% | 0.207 | C | C | . | . | trans | -82.3 | 44.5 | -167.6 | -65 | 0 | 0 | 0 | 0 | 114.5 | L100 N104 T236 Y245 | L100-C102 PolarHBondContact O-N 3.08Å; C102-N104 PolarHBondContact O-N 2.9Å; C102-T236 HydrophobicContact CB-CG2 3.92Å; C102-T236 PolarHBondContact SG-OG1 2.99Å; C102-Y245 WeakPolarHBondContact O-CD1 3.43Å; C102-Y245 WeakPolarHBondContact O-CD2 3.23Å | ||
| 103 | D | 44.7 | Very low | 47.7 | Very low | 91 Ų | 91 | 42.2 Ų | 42.2 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -69.7 | 94.5 | 177.7 | -125.8 | 10.3 | 0 | 0 | 0 | 110.5 | K86 D101 S105 Y245 | K86-D103 PolarHBondContact NZ-O 2.8Å; D101-D103 PolarHBondContact O-N 2.77Å; D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 3.25Å; D103-S105 VanDerWaalsContact O-N 3.07Å; D103-Y245 WeakPolarHBondContact OD1-CD2 3.22Å |
| 104 | N | 41.6 | Very low | 48.5 | Very low | 105 Ų | 105 | 41.4 Ų | 41.4 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 63.5 | -7.3 | 176.9 | -63.1 | -66.6 | 0 | 0 | 0 | 119.6 | C102 N238 Y245 | C102-N104 PolarHBondContact O-N 2.9Å; N104-N238 PolarHBondContact O-ND2 3.06Å; N104-Y245 PolarHBondContact OD1-OH 2.83Å |
| 105 | S | 40.4 | Very low | 49.2 | Very low | 22 Ų | 22 | 43.1 Ų | 43.1 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -120.6 | 144.7 | 170.8 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | D73 K86 D103 | D73-S105 VanDerWaalsContact OD2-CB 3.25Å; D73-S105 WeakPolarHBondContact OD2-CB 3.49Å; D73-S105 PolarHBondContact OD2-OG 3.2Å; K86-S105 PolarHBondContact NZ-OG 3.14Å; D103-S105 VanDerWaalsContact C-N 3.29Å; D103-S105 PolarHBondContact O-N 3.25Å; D103-S105 VanDerWaalsContact O-N 3.07Å |
| 106 | G | 46 | Very low | 49.8 | Very low | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | trans | -76 | 127.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109.3 | F108 | G106-F108 WeakPolarHBondContact O-CD2 3.5Å; G106-F108 WeakPolarHBondContact O-CE2 3.43Å | ||
| 107 | L | 42 | Very low | 50.8 | Low | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -106.4 | 117.5 | -176.6 | -175.1 | 56.2 | 0 | 0 | 0 | 109.9 | L71 V82 I87 L100 | L71-L107 HydrophobicContact CB-CD1 4.46Å; L71-L107 HydrophobicContact CD2-CD1 3.74Å; L71-L107 HydrophobicContact CD2-CG 4.03Å; V82-L107 HydrophobicContact CB-CD1 4.47Å; V82-L107 HydrophobicContact CG1-CD1 4.01Å; V82-L107 HydrophobicContact CG2-CD1 3.84Å; I87-L107 HydrophobicContact CD1-CD1 4.34Å; I87-L107 HydrophobicContact CG1-CD1 4.47Å; I87-L107 HydrophobicContact CG1-CD2 4.03Å; L100-L107 HydrophobicContact CB-CD2 4.2Å; L100-L107 HydrophobicContact CD2-CD2 3.49Å; L100-L107 VanDerWaalsContact CD2-CD2 3.49Å; L100-L107 HydrophobicContact CD2-CG 4.08Å; L100-L107 HydrophobicContact CG-CD2 4.43Å | ||
| 108 | F | 48.2 | Very low | 51.8 | Low | 27 Ų | 27 | 41.8 Ų | 41.8 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.2 | -171 | -54.8 | -111.5 | 0 | 0 | 0 | 111 | L71 L72 G106 F233 L234 K235 | L71-F108 WeakPolarHBondContact CA-O 3.44Å; L72-F108 PolarHBondContact N-O 3.01Å; L72-F108 WeakPolarHBondContact O-CB 3.24Å; L72-F108 WeakPolarHBondContact O-CD2 3.31Å; G106-F108 WeakPolarHBondContact O-CD2 3.5Å; G106-F108 WeakPolarHBondContact O-CE2 3.43Å; F108-F233 HydrophobicContact CD1-CB 4.15Å; F108-L234 WeakPolarHBondContact CA-O 3.24Å; F108-L234 WeakPolarHBondContact CB-O 3.46Å; F108-L234 WeakPolarHBondContact CD1-O 3.42Å; F108-L234 VanDerWaalsContact CG-O 3.26Å; F108-L234 WeakPolarHBondContact CG-O 3.17Å; F108-K235 HydrophobicContact CD1-CB 4.25Å; F108-K235 HydrophobicContact CE1-CB 3.87Å; F108-K235 HydrophobicContact CE1-CD 4.11Å; F108-K235 HydrophobicContact CE1-CG 3.69Å; F108-K235 HydrophobicContact CZ-CB 4.48Å; F108-K235 HydrophobicContact CZ-CD 4.45Å; F108-K235 HydrophobicContact CZ-CG 3.91Å |
| 109 | L | 45.8 | Very low | 52.5 | Low | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.1 | 169.4 | -82.3 | 165.2 | 0 | 0 | 0 | 109.7 | I68 L71 I98 L100 F111 F233 L234 | I68-L109 HydrophobicContact CD1-CD2 4.05Å; I68-L109 HydrophobicContact CG2-CD2 3.96Å; L71-L109 HydrophobicContact CD1-CD2 4.22Å; L71-L109 HydrophobicContact CD2-CD2 3.66Å; L71-L109 HydrophobicContact CD2-CG 3.91Å; L71-L109 HydrophobicContact CG-CD2 4.06Å; I98-L109 HydrophobicContact CD1-CD2 4.24Å; L100-L109 HydrophobicContact CD1-CD1 4.42Å; L100-L109 HydrophobicContact CD2-CD1 4.3Å; L109-F111 HydrophobicContact CB-CE2 3.73Å; L109-F111 HydrophobicContact CB-CZ 4.06Å; L109-F111 HydrophobicContact CD1-CZ 4.39Å; L109-F233 WeakPolarHBondContact O-CA 3.3Å; L109-L234 HydrophobicContact CB-CB 4.38Å; L109-L234 HydrophobicContact CB-CD1 4.28Å; L109-L234 HydrophobicContact CD1-CD1 4.22Å; L109-L234 HydrophobicContact CD1-CD2 4.3Å; L109-L234 PolarHBondContact O-N 3.36Å |
| 110 | Y | 48.2 | Very low | 53 | Low | 50 Ų | 50 | 41 Ų | 41 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.2 | 179.8 | -172.4 | -102.7 | 0 | 0 | 0 | 111.3 | E70 G112 N113 D231 F233 | E70-Y110 WeakPolarHBondContact O-CB 3.44Å; Y110-G112 VanDerWaalsContact CE1-CA 3.46Å; Y110-N113 WeakPolarHBondContact OH-CB 3.49Å; Y110-N113 PolarHBondContact OH-N 2.84Å; Y110-D231 HydrophobicContact CD2-CB 4.29Å; Y110-D231 HydrophobicContact CE2-CB 3.56Å; Y110-D231 WeakPolarHBondContact CE2-OD2 3.47Å; Y110-D231 PolarHBondContact OH-OD2 3.29Å; Y110-F233 HydrophobicContact CD2-CD1 4.3Å; Y110-F233 HydrophobicContact CD2-CE1 4.01Å; Y110-F233 HydrophobicContact CE2-CE1 4.26Å |
| 111 | F | 52.6 | Low | 53.7 | Low | 21 Ų | 21 | 41.8 Ų | 41.8 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 5.2 | -178.5 | -64.3 | -85.5 | 0 | 0 | 0 | 114.2 | W60 L109 Y114 V232 L234 F253 | W60-F111 HydrophobicContact CD2-CD1 4.18Å; W60-F111 HydrophobicContact CE3-CD1 4.49Å; W60-F111 HydrophobicContact CG-CD1 4.5Å; W60-F111 HydrophobicContact CH2-CB 4.27Å; W60-F111 HydrophobicContact CZ2-CB 4.09Å; W60-F111 HydrophobicContact CZ2-CD1 4.43Å; W60-F111 WeakPolarHBondContact CZ2-O 3.32Å; L109-F111 HydrophobicContact CB-CE2 3.73Å; L109-F111 HydrophobicContact CB-CZ 4.06Å; L109-F111 HydrophobicContact CD1-CZ 4.39Å; F111-Y114 WeakPolarHBondContact O-CE2 3.44Å; F111-Y114 PolarHBondContact O-OH 3.08Å; F111-V232 HydrophobicContact CB-CB 4.35Å; F111-V232 HydrophobicContact CD2-CB 4.35Å; F111-V232 HydrophobicContact CD2-CG1 4.02Å; F111-L234 HydrophobicContact CE2-CD1 4.32Å; F111-F253 HydrophobicContact CE1-CB 4.4Å; F111-F253 HydrophobicContact CE1-CG 4.46Å |
| 112 | G | 47.9 | Very low | 54.8 | Low | 21 Ų | 21 | 39.2 Ų | 39.2 | 22% | 0.216 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117.3 | 165.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y110 Y114 | Y110-G112 VanDerWaalsContact CE1-CA 3.46Å; G112-Y114 VanDerWaalsContact O-CD2 3.23Å; G112-Y114 WeakPolarHBondContact O-CD2 3.25Å |
| 113 | N | 55.1 | Low | 55.9 | Low | 80 Ų | 80 | 40.1 Ų | 40.1 | 43% | 0.428 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 129.5 | 174.7 | -175.2 | -43.7 | 0 | 0 | 0 | 110.1 | Y110 Q115 D231 | Y110-N113 WeakPolarHBondContact OH-CB 3.49Å; Y110-N113 PolarHBondContact OH-N 2.84Å; N113-Q115 PolarHBondContact ND2-NE2 2.97Å; N113-Q115 VanDerWaalsContact ND2-NE2 3.11Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.47Å; N113-Q115 WeakPolarHBondContact OD1-CG 3.19Å; N113-Q115 PolarHBondContact OD1-N 2.96Å; N113-D231 WeakPolarHBondContact CA-OD1 3.27Å |
| 114 | Y | 59.5 | Low | 57.2 | Low | 25 Ų | 25 | 40.8 Ų | 40.8 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | trans | -122.2 | 24.6 | -173 | -74.4 | -67.8 | 0 | 0 | 0 | 114.6 | H58 W60 F111 G112 N116 S117 S120 V232 | H58-Y114 AromaticContact CE1-CE1 3.7Å; H58-Y114 AromaticContact NE2-CD1 3.61Å; H58-Y114 AromaticContact NE2-CE1 3.16Å; H58-Y114 WeakPolarHBondContact NE2-CE1 3.33Å; W60-Y114 VanDerWaalsContact CH2-OH 3.28Å; W60-Y114 WeakPolarHBondContact CH2-OH 3.48Å; W60-Y114 VanDerWaalsContact CZ2-OH 3.29Å; W60-Y114 WeakPolarHBondContact CZ2-OH 2.98Å; F111-Y114 WeakPolarHBondContact O-CE2 3.44Å; F111-Y114 PolarHBondContact O-OH 3.08Å; G112-Y114 VanDerWaalsContact O-CD2 3.23Å; G112-Y114 WeakPolarHBondContact O-CD2 3.25Å; Y114-N116 PolarHBondContact O-N 2.79Å; Y114-S117 WeakPolarHBondContact O-CB 3.17Å; Y114-S117 PolarHBondContact O-N 2.73Å; Y114-S117 PolarHBondContact O-OG 3.06Å; Y114-S120 PolarHBondContact O-OG 2.9Å; Y114-S120 VanDerWaalsContact O-OG 3.14Å; Y114-V232 HydrophobicContact CD2-CG2 3.98Å; Y114-V232 HydrophobicContact CE2-CG2 4.35Å | ||
| 115 | Q | 57.3 | Low | 58.6 | Low | 123 Ų | 123 | 36.7 Ų | 36.7 | 58% | 0.575 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | 136.9 | 177.4 | -76.8 | 167.9 | 22.3 | 0 | 0 | 113.3 | N113 S117 S230 | N113-Q115 PolarHBondContact ND2-NE2 2.97Å; N113-Q115 VanDerWaalsContact ND2-NE2 3.11Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.47Å; N113-Q115 WeakPolarHBondContact OD1-CG 3.19Å; N113-Q115 PolarHBondContact OD1-N 2.96Å; Q115-S117 PolarHBondContact O-N 3.32Å; Q115-S230 WeakPolarHBondContact CG-OG 3.15Å; Q115-S230 PolarHBondContact NE2-OG 3.17Å; Q115-S230 VanDerWaalsContact NE2-OG 3.08Å |
| 116 | N | 59 | Low | 59.8 | Low | 157 Ų | 157 | 36.8 Ų | 36.8 | 84% | 0.84 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 34.5 | -179.6 | -56.5 | -17.1 | 0 | 0 | 0 | 114 | Y114 | Y114-N116 PolarHBondContact O-N 2.79Š|
| 117 | S | 65.4 | Low | 61.1 | Low | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -128.4 | 156.8 | 175.7 | 84.5 | 0 | 0 | 0 | 0 | 112.2 | Y114 Q115 V119 S120 D121 | Y114-S117 WeakPolarHBondContact O-CB 3.17Å; Y114-S117 PolarHBondContact O-N 2.73Å; Y114-S117 PolarHBondContact O-OG 3.06Å; Q115-S117 PolarHBondContact O-N 3.32Å; S117-V119 PolarHBondContact O-N 2.74Å; S117-S120 PolarHBondContact O-N 3.07Å; S117-S120 PolarHBondContact O-OG 3.4Å; S117-D121 PolarHBondContact O-N 3.06Å |
| 118 | C | 69.4 | Low | 62.9 | Low | 7 Ų | 7 | 49.3 Ų | 49.3 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 11.3 | -173.3 | 79.8 | 0 | 0 | 0 | 0 | 116.5 | D121 L124 C125 | C118-D121 VanDerWaalsContact CA-O 3.22Å; C118-D121 WeakPolarHBondContact CA-O 3.35Å; C118-L124 HydrophobicContact CB-CB 3.65Å; C118-C125 HydrophobicContact CB-CB 3.35Å; C118-C125 WeakPolarHBondContact CB-SG 3.23Å; C118-C125 WeakPolarHBondContact SG-CB 3.44Å; C118-C125 CovalentContact SG-SG 2.02Å; C118-C125 PolarHBondContact SG-SG 3.17Å |
| 119 | V | 69.4 | Low | 64.6 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -23.9 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 111 | S117 F132 S155 V232 I255 | S117-V119 PolarHBondContact O-N 2.74Å; V119-F132 HydrophobicContact CG1-CE1 4.11Å; V119-F132 HydrophobicContact CG1-CZ 4.3Å; V119-S155 PolarHBondContact O-OG 3.08Å; V119-V232 HydrophobicContact CG1-CG2 3.98Å; V119-I255 HydrophobicContact CG1-CD1 4.28Å; V119-I255 HydrophobicContact CG2-CG2 3.98Å |
| 120 | S | 67.4 | Low | 66.6 | Low | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -36.5 | 171.9 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | Y114 S117 N156 S157 | Y114-S120 PolarHBondContact O-OG 2.9Å; Y114-S120 VanDerWaalsContact O-OG 3.14Å; S117-S120 PolarHBondContact O-N 3.07Å; S117-S120 PolarHBondContact O-OG 3.4Å; S120-N156 WeakPolarHBondContact O-CB 3.26Å; S120-S157 PolarHBondContact O-OG 3.3Å |
| 121 | D | 70.1 | Confident | 68.6 | Low | 22 Ų | 22 | 45.5 Ų | 45.5 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | trans | -129.1 | 114.1 | 171.8 | 167.9 | 40.1 | 0 | 0 | 0 | 112.8 | S117 C118 N123 L124 S157 | S117-D121 PolarHBondContact O-N 3.06Å; C118-D121 VanDerWaalsContact CA-O 3.22Å; C118-D121 WeakPolarHBondContact CA-O 3.35Å; D121-N123 PolarHBondContact O-N 2.92Å; D121-N123 WeakPolarHBondContact OD1-CB 3.38Å; D121-N123 PolarHBondContact OD1-N 2.79Å; D121-N123 PolarHBondContact OD1-ND2 2.91Å; D121-N123 WeakPolarHBondContact OD2-CB 3.21Å; D121-L124 HydrophobicContact CB-CD1 4.43Å; D121-L124 PolarHBondContact O-N 2.75Å; D121-S157 WeakPolarHBondContact CA-OG 3.28Å; D121-S157 PolarHBondContact N-OG 3.38Å | ||
| 122 | L | 71.6 | Confident | 70.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.7 | -27.7 | 177.1 | -66.1 | 177.9 | 0 | 0 | 0 | 114.5 | L124 C125 A126 V130 S157 L171 Y172 T173 W198 | L122-L124 PolarHBondContact O-N 2.91Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.93Å; L122-A126 PolarHBondContact O-N 2.85Å; L122-A126 VanDerWaalsContact O-N 3.14Å; L122-V130 HydrophobicContact CD2-CG1 3.82Å; L122-S157 PolarHBondContact N-OG 2.95Å; L122-L171 HydrophobicContact CD1-CB 4.27Å; L122-L171 HydrophobicContact CD1-CD2 3.69Å; L122-L171 HydrophobicContact CD2-CD2 3.94Å; L122-L171 HydrophobicContact CG-CD2 4.42Å; L122-Y172 WeakPolarHBondContact CD1-O 3.2Å; L122-T173 HydrophobicContact CB-CG2 3.99Å; L122-T173 HydrophobicContact CD1-CG2 4.12Å; L122-W198 HydrophobicContact CB-CE3 4.33Å; L122-W198 HydrophobicContact CB-CH2 3.84Å; L122-W198 HydrophobicContact CB-CZ2 4.49Å; L122-W198 HydrophobicContact CB-CZ3 3.76Å; L122-W198 HydrophobicContact CD1-CD2 4.2Å; L122-W198 HydrophobicContact CD1-CE3 4.32Å; L122-W198 HydrophobicContact CD1-CH2 4.39Å; L122-W198 HydrophobicContact CD1-CZ2 4.27Å; L122-W198 HydrophobicContact CD1-CZ3 4.42Å; L122-W198 HydrophobicContact CD2-CE3 4.12Å; L122-W198 HydrophobicContact CD2-CZ3 4.35Å; L122-W198 HydrophobicContact CG-CE3 4.49Å; L122-W198 HydrophobicContact CG-CZ3 4.39Å |
| 123 | N | 71.8 | Confident | 72.1 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.1 | -32.4 | -176.3 | -63.6 | -51.6 | 0 | 0 | 0 | 111.7 | D121 C125 A126 D175 | D121-N123 PolarHBondContact O-N 2.92Å; D121-N123 WeakPolarHBondContact OD1-CB 3.38Å; D121-N123 PolarHBondContact OD1-N 2.79Å; D121-N123 PolarHBondContact OD1-ND2 2.91Å; D121-N123 WeakPolarHBondContact OD2-CB 3.21Å; N123-C125 PolarHBondContact O-N 3.27Å; N123-A126 WeakPolarHBondContact O-CB 3.33Å; N123-A126 PolarHBondContact O-N 3.46Å; N123-A126 VanDerWaalsContact O-N 3.16Å; N123-D175 PolarHBondContact ND2-OD2 2.9Å |
| 124 | L | 72.6 | Confident | 73.4 | Confident | 105 Ų | 105 | 39.8 Ų | 39.8 | 55% | 0.55 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -63.3 | -16.6 | 173.8 | -63.9 | 174.4 | 0 | 0 | 0 | 114.5 | C118 D121 L122 | C118-L124 HydrophobicContact CB-CB 3.65Å; D121-L124 HydrophobicContact CB-CD1 4.43Å; D121-L124 PolarHBondContact O-N 2.75Å; L122-L124 PolarHBondContact O-N 2.91Å |
| 125 | C | 70.8 | Confident | 74.3 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -124.9 | 26.4 | 171.2 | -76.7 | 0 | 0 | 0 | 0 | 112.8 | C118 L122 N123 L127 D128 G129 | C118-C125 HydrophobicContact CB-CB 3.35Å; C118-C125 WeakPolarHBondContact CB-SG 3.23Å; C118-C125 WeakPolarHBondContact SG-CB 3.44Å; C118-C125 CovalentContact SG-SG 2.02Å; C118-C125 PolarHBondContact SG-SG 3.17Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.93Å; N123-C125 PolarHBondContact O-N 3.27Å; C125-L127 PolarHBondContact O-N 3.29Å; C125-D128 PolarHBondContact O-N 2.88Å; C125-G129 VanDerWaalsContact O-CA 3.29Å; C125-G129 WeakPolarHBondContact O-CA 3.49Å; C125-G129 PolarHBondContact O-N 2.91Å |
| 126 | A | 66 | Low | 75.2 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L122 N123 K200 | L122-A126 PolarHBondContact O-N 2.85Å; L122-A126 VanDerWaalsContact O-N 3.14Å; N123-A126 WeakPolarHBondContact O-CB 3.33Å; N123-A126 PolarHBondContact O-N 3.46Å; N123-A126 VanDerWaalsContact O-N 3.16Å; A126-K200 HydrophobicContact CB-CB 4.16Å; A126-K200 HydrophobicContact CB-CD 4.16Å |
| 127 | L | 72.4 | Confident | 75.6 | Confident | 166 Ų | 166 | 29.5 Ų | 29.5 | 87% | 0.869 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -54.8 | 178.3 | -67.4 | 173.5 | 0 | 0 | 0 | 113 | C125 | C125-L127 PolarHBondContact O-N 3.29Š|
| 128 | D | 79.5 | Confident | 75.6 | Confident | 116 Ų | 116 | 29 Ų | 29 | 62% | 0.62 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -20.1 | -176.6 | -63.8 | -67.3 | 0 | 0 | 0 | 113.5 | C125 R258 A259 | C125-D128 PolarHBondContact O-N 2.88Å; D128-R258 HydrophobicContact CB-CB 4.41Å; D128-R258 CarbonylContact O-C 3.54Å; D128-R258 WeakPolarHBondContact O-CA 3.19Å; D128-A259 PolarHBondContact O-N 3.31Å |
| 129 | G | 85.5 | Confident | 74.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | 81.8 | -169.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C125 W198 K257 R258 | C125-G129 VanDerWaalsContact O-CA 3.29Å; C125-G129 WeakPolarHBondContact O-CA 3.49Å; C125-G129 PolarHBondContact O-N 2.91Å; G129-W198 CarbonylContact C-O 3.58Å; G129-W198 WeakPolarHBondContact CA-O 3.44Å; G129-K257 CarbonylContact O-C 3.42Å; G129-R258 CarbonylContact O-C 3.43Å; G129-R258 WeakPolarHBondContact O-CA 3.39Å; G129-R258 PolarHBondContact O-N 3.48Å; G129-R258 VanDerWaalsContact O-N 3.15Å | ||
| 130 | V | 87.3 | Confident | 74.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.9 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | L122 F132 T197 W198 W256 R258 | L122-V130 HydrophobicContact CD2-CG1 3.82Å; V130-F132 HydrophobicContact CB-CE2 4.24Å; V130-F132 HydrophobicContact CG1-CD2 4.36Å; V130-F132 HydrophobicContact CG1-CE2 3.73Å; V130-F132 HydrophobicContact CG2-CD2 4.17Å; V130-F132 HydrophobicContact CG2-CE1 4.49Å; V130-F132 HydrophobicContact CG2-CE2 3.44Å; V130-F132 VanDerWaalsContact CG2-CE2 3.44Å; V130-F132 HydrophobicContact CG2-CZ 3.63Å; V130-T197 VanDerWaalsContact O-CA 3.29Å; V130-T197 WeakPolarHBondContact O-CA 3.36Å; V130-W198 HydrophobicContact CG1-CB 4.17Å; V130-W198 HydrophobicContact CG1-CE3 4.43Å; V130-W198 PolarHBondContact N-O 3.46Å; V130-W198 PolarHBondContact O-N 3.39Å; V130-W256 WeakPolarHBondContact CA-O 3.18Å; V130-W256 WeakPolarHBondContact CG2-O 3.46Å; V130-R258 CarbonylContact C-O 3.47Å |
| 131 | T | 90 | Very high | 73.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 136.5 | 171.9 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | L195 F196 T197 I255 W256 R258 A259 L260 | T131-L195 HydrophobicContact CG2-CD1 4.22Å; T131-L195 HydrophobicContact CG2-CD2 3.77Å; T131-L195 HydrophobicContact CG2-CG 3.9Å; T131-F196 WeakPolarHBondContact CA-O 3.39Å; T131-T197 HydrophobicContact CG2-CG2 3.77Å; T131-I255 WeakPolarHBondContact O-CA 3.49Å; T131-W256 HydrophobicContact CG2-CE3 3.95Å; T131-W256 HydrophobicContact CG2-CZ3 4.4Å; T131-W256 PolarHBondContact N-O 2.93Å; T131-W256 PolarHBondContact O-N 3.26Å; T131-R258 PolarHBondContact N-O 3.05Å; T131-R258 PolarHBondContact OG1-O 2.91Å; T131-A259 WeakPolarHBondContact OG1-CA 2.99Å; T131-L260 HydrophobicContact CG2-CB 4.27Å; T131-L260 HydrophobicContact CG2-CD1 4Å; T131-L260 HydrophobicContact CG2-CG 3.92Å; T131-L260 PolarHBondContact OG1-N 3.26Å |
| 132 | F | 86.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.7 | 174 | -63.6 | -84.2 | 0 | 0 | 0 | 110.2 | V119 V130 F158 L195 F196 I255 | V119-F132 HydrophobicContact CG1-CE1 4.11Å; V119-F132 HydrophobicContact CG1-CZ 4.3Å; V130-F132 HydrophobicContact CB-CE2 4.24Å; V130-F132 HydrophobicContact CG1-CD2 4.36Å; V130-F132 HydrophobicContact CG1-CE2 3.73Å; V130-F132 HydrophobicContact CG2-CD2 4.17Å; V130-F132 HydrophobicContact CG2-CE1 4.49Å; V130-F132 HydrophobicContact CG2-CE2 3.44Å; V130-F132 VanDerWaalsContact CG2-CE2 3.44Å; V130-F132 HydrophobicContact CG2-CZ 3.63Å; F132-F158 HydrophobicContact CD1-CD1 4.35Å; F132-F158 AromaticContact CD1-CE1 3.64Å; F132-F158 HydrophobicContact CD1-CE1 3.64Å; F132-F158 AromaticContact CD1-CZ 3.99Å; F132-F158 HydrophobicContact CD1-CZ 3.99Å; F132-F158 HydrophobicContact CD2-CD1 4.19Å; F132-F158 HydrophobicContact CD2-CE1 4.26Å; F132-F158 AromaticContact CE1-CD1 3.96Å; F132-F158 HydrophobicContact CE1-CD1 3.96Å; F132-F158 AromaticContact CE1-CE1 3.35Å; F132-F158 HydrophobicContact CE1-CE1 3.35Å; F132-F158 HydrophobicContact CE1-CZ 4.14Å; F132-F158 AromaticContact CE2-CD1 3.74Å; F132-F158 HydrophobicContact CE2-CD1 3.74Å; F132-F158 AromaticContact CE2-CE1 3.99Å; F132-F158 HydrophobicContact CE2-CE1 3.99Å; F132-F158 HydrophobicContact CG-CD1 4.47Å; F132-F158 HydrophobicContact CG-CE1 4.1Å; F132-F158 HydrophobicContact CG-CZ 4.36Å; F132-F158 AromaticContact CZ-CD1 3.63Å; F132-F158 HydrophobicContact CZ-CD1 3.63Å; F132-F158 AromaticContact CZ-CE1 3.54Å; F132-F158 HydrophobicContact CZ-CE1 3.54Å; F132-L195 CarbonylContact O-C 3.59Å; F132-L195 VanDerWaalsContact O-CA 3.24Å; F132-L195 WeakPolarHBondContact O-CA 3.26Å; F132-L195 WeakPolarHBondContact O-CG 3.14Å; F132-F196 HydrophobicContact CB-CD1 4.25Å; F132-F196 HydrophobicContact CB-CE1 3.69Å; F132-F196 HydrophobicContact CB-CE2 4.01Å; F132-F196 HydrophobicContact CB-CZ 3.55Å; F132-F196 HydrophobicContact CD2-CD2 4.21Å; F132-F196 AromaticContact CD2-CE2 3.45Å; F132-F196 HydrophobicContact CD2-CE2 3.45Å; F132-F196 VanDerWaalsContact CD2-CE2 3.45Å; F132-F196 AromaticContact CD2-CZ 3.7Å; F132-F196 HydrophobicContact CD2-CZ 3.7Å; F132-F196 HydrophobicContact CE2-CE2 4.29Å; F132-F196 HydrophobicContact CG-CE1 4.45Å; F132-F196 HydrophobicContact CG-CE2 4.05Å; F132-F196 AromaticContact CG-CZ 3.82Å; F132-F196 HydrophobicContact CG-CZ 3.82Å; F132-F196 PolarHBondContact N-O 3.34Å; F132-F196 PolarHBondContact O-N 2.79Å; F132-I255 HydrophobicContact CD1-CB 4.42Å; F132-I255 HydrophobicContact CD1-CD1 4.48Å; F132-I255 HydrophobicContact CD1-CG1 3.9Å; F132-I255 HydrophobicContact CD1-CG2 3.98Å; F132-I255 HydrophobicContact CE1-CB 4.45Å; F132-I255 HydrophobicContact CE1-CD1 4.19Å; F132-I255 HydrophobicContact CE1-CG1 4.03Å; F132-I255 HydrophobicContact CE1-CG2 3.67Å; F132-I255 HydrophobicContact CZ-CG2 4.35Å |
| 133 | S | 86.9 | Confident | 70.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141 | -177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | H193 V194 F253 A254 Y268 | S133-H193 PolarHBondContact OG-NE2 3.48Å; S133-V194 WeakPolarHBondContact CA-O 3.16Å; S133-F253 WeakPolarHBondContact O-CA 3.31Å; S133-A254 PolarHBondContact N-O 2.97Å; S133-A254 PolarHBondContact O-N 3.48Å; S133-Y268 VanDerWaalsContact OG-CE1 3.3Å; S133-Y268 WeakPolarHBondContact OG-CE1 3.32Å; S133-Y268 PolarHBondContact OG-OH 3.12Å |
| 134 | F | 82.7 | Confident | 69 | Low | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 163.8 | 167 | 54.1 | -91 | 0 | 0 | 0 | 111.8 | W136 V153 V160 V194 F196 F250 E252 F253 | F134-W136 HydrophobicContact CD2-CB 4.18Å; F134-W136 HydrophobicContact CE2-CB 4.13Å; F134-W136 HydrophobicContact CE2-CE3 4.36Å; F134-V153 HydrophobicContact CZ-CG2 4.37Å; F134-V160 HydrophobicContact CE1-CG2 4.36Å; F134-V160 HydrophobicContact CZ-CB 4.38Å; F134-V160 HydrophobicContact CZ-CG1 4.19Å; F134-V160 HydrophobicContact CZ-CG2 4.31Å; F134-V194 HydrophobicContact CD2-CB 4.27Å; F134-V194 HydrophobicContact CE2-CB 3.84Å; F134-V194 HydrophobicContact CE2-CG1 4.26Å; F134-V194 HydrophobicContact CE2-CG2 4.2Å; F134-V194 HydrophobicContact CZ-CB 4.03Å; F134-V194 HydrophobicContact CZ-CG1 3.96Å; F134-V194 PolarHBondContact N-O 3.27Å; F134-V194 PolarHBondContact O-N 2.9Å; F134-V194 VanDerWaalsContact O-O 3.14Å; F134-F196 HydrophobicContact CE1-CE1 4.34Å; F134-F250 AromaticContact CD2-CD1 3.9Å; F134-F250 HydrophobicContact CD2-CD1 3.9Å; F134-F250 HydrophobicContact CD2-CE1 4.13Å; F134-F250 HydrophobicContact CE2-CD1 4.2Å; F134-F250 AromaticContact CE2-CE1 3.93Å; F134-F250 HydrophobicContact CE2-CE1 3.93Å; F134-E252 WeakPolarHBondContact CA-O 3.22Å; F134-F253 HydrophobicContact CB-CD2 3.81Å; F134-F253 HydrophobicContact CB-CE2 4.3Å; F134-F253 HydrophobicContact CD1-CD2 4.19Å; F134-F253 AromaticContact CD1-CE2 3.8Å; F134-F253 HydrophobicContact CD1-CE2 3.8Å; F134-F253 HydrophobicContact CG-CD2 4.35Å; F134-F253 HydrophobicContact CG-CE2 4.39Å |
| 135 | F | 78.4 | Confident | 67.2 | Low | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.4 | 163.5 | -70.4 | -100.8 | 0 | 0 | 0 | 110.9 | V93 W191 T192 H193 F250 D251 E252 A272 V273 | V93-F135 HydrophobicContact CG2-CB 4.39Å; V93-F135 HydrophobicContact CG2-CD1 3.94Å; V93-F135 HydrophobicContact CG2-CE1 4.31Å; V93-F135 HydrophobicContact CG2-CG 4.08Å; F135-W191 HydrophobicContact CB-CE3 3.95Å; F135-W191 HydrophobicContact CB-CZ3 4.36Å; F135-T192 CarbonylContact C-O 3.57Å; F135-T192 WeakPolarHBondContact CA-O 3.35Å; F135-H193 HydrophobicContact CD1-CB 3.92Å; F135-H193 AromaticContact CD2-CD2 3.91Å; F135-H193 HydrophobicContact CE1-CB 3.7Å; F135-H193 AromaticContact CE2-CD2 3.66Å; F135-H193 HydrophobicContact CZ-CB 4.13Å; F135-H193 AromaticContact CZ-CD2 3.82Å; F135-F250 VanDerWaalsContact O-CA 3.28Å; F135-F250 WeakPolarHBondContact O-CA 3.37Å; F135-D251 HydrophobicContact CB-CB 4.05Å; F135-D251 PolarHBondContact N-O 3.05Å; F135-D251 PolarHBondContact O-N 3.29Å; F135-E252 HydrophobicContact CD2-CB 4.03Å; F135-E252 HydrophobicContact CD2-CG 4.48Å; F135-E252 HydrophobicContact CE2-CB 4.31Å; F135-E252 WeakPolarHBondContact CE2-OE2 3.44Å; F135-A272 HydrophobicContact CE2-CB 3.92Å; F135-A272 HydrophobicContact CZ-CB 3.81Å; F135-V273 HydrophobicContact CE1-CG2 3.83Å; F135-V273 HydrophobicContact CZ-CG2 3.88Å |
| 136 | W | 75.2 | Confident | 65.4 | Low | 15 Ų | 15 | 60.2 Ų | 60.2 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.3 | 178.1 | 157.9 | 29.1 | 0 | 0 | 0 | 110 | F134 N138 A162 I184 T192 V194 A249 F250 | F134-W136 HydrophobicContact CD2-CB 4.18Å; F134-W136 HydrophobicContact CE2-CB 4.13Å; F134-W136 HydrophobicContact CE2-CE3 4.36Å; W136-N138 PolarHBondContact NE1-OD1 3.38Å; W136-A162 HydrophobicContact CH2-CB 3.59Å; W136-A162 HydrophobicContact CZ2-CB 4.06Å; W136-I184 HydrophobicContact CZ3-CD1 4.48Å; W136-I184 HydrophobicContact CZ3-CG2 4.34Å; W136-T192 PolarHBondContact N-O 3.11Å; W136-T192 WeakPolarHBondContact O-CB 3.36Å; W136-T192 PolarHBondContact O-N 2.92Å; W136-V194 HydrophobicContact CE3-CG2 4.03Å; W136-A249 WeakPolarHBondContact CA-O 3.41Å; W136-F250 HydrophobicContact CB-CD1 3.89Å; W136-F250 HydrophobicContact CB-CE1 3.8Å; W136-F250 HydrophobicContact CD2-CE1 4.46Å; W136-F250 HydrophobicContact CG-CD1 4.42Å; W136-F250 AromaticContact CG-CE1 3.92Å; W136-F250 HydrophobicContact CG-CE1 3.92Å; W136-F250 HydrophobicContact CG-CZ 4.32Å |
| 137 | K | 69.4 | Low | 64.1 | Low | 69 Ų | 69 | 64.5 Ų | 64.5 | 30% | 0.3 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.8 | 176 | 179.1 | 172.7 | 179.1 | -178.7 | 0 | 110.6 | P189 W191 R248 A249 | K137-P189 VanDerWaalsContact CE-O 3.24Å; K137-P189 WeakPolarHBondContact CE-O 3.19Å; K137-W191 HydrophobicContact CB-CD2 3.65Å; K137-W191 HydrophobicContact CB-CE3 3.41Å; K137-W191 VanDerWaalsContact CB-CE3 3.41Å; K137-W191 HydrophobicContact CB-CG 4.25Å; K137-W191 HydrophobicContact CB-CH2 4.25Å; K137-W191 HydrophobicContact CB-CZ2 4.46Å; K137-W191 HydrophobicContact CB-CZ3 3.73Å; K137-W191 HydrophobicContact CD-CD2 3.74Å; K137-W191 HydrophobicContact CD-CE3 4.36Å; K137-W191 HydrophobicContact CD-CG 3.92Å; K137-W191 HydrophobicContact CD-CZ2 4.19Å; K137-W191 HydrophobicContact CG-CD2 4.35Å; K137-R248 WeakPolarHBondContact O-CA 3.46Å; K137-A249 PolarHBondContact N-O 3.3Å; K137-A249 PolarHBondContact O-N 3.49Å |
| 138 | N | 65.3 | Low | 62.2 | Low | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 144.2 | 168.5 | -62.1 | -57.4 | 0 | 0 | 0 | 108.9 | W136 S187 P189 R248 | W136-N138 PolarHBondContact NE1-OD1 3.38Å; N138-S187 PolarHBondContact ND2-O 2.88Å; N138-P189 VanDerWaalsContact O-CA 3.31Å; N138-P189 WeakPolarHBondContact O-CA 3.45Å; N138-R248 WeakPolarHBondContact OD1-CG 3.28Å; N138-R248 PolarHBondContact OD1-NE 3.29Å |
| 139 | Q | 53.2 | Low | 60.2 | Low | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -96.7 | -24.1 | -177.2 | -151.1 | -164.6 | 38.7 | 0 | 0 | 114.8 | F99 T247 | F99-Q139 HydrophobicContact CE2-CB 4.4Å; F99-Q139 VanDerWaalsContact CE2-CD 3.47Å; F99-Q139 HydrophobicContact CE2-CG 4.31Å; Q139-T247 PolarHBondContact N-O 2.86Å; Q139-T247 VanDerWaalsContact N-O 3.16Å |
| 140 | K | 54.6 | Low | 58.1 | Low | 118 Ų | 118 | 55.2 Ų | 55.2 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | trans | -128.1 | 125.4 | -177.6 | -68.7 | 170.7 | -176 | 161 | 0 | 109.9 | ||||
| 141 | P | 44.8 | Very low | 56 | Low | 89 Ų | 89 | 55.6 Ų | 55.6 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75.3 | -45.1 | 175.4 | 26.4 | -30.3 | 0 | 0 | 0 | 112.5 | ||
| 142 | D | 44.6 | Very low | 53.9 | Low | 135 Ų | 135 | 57.6 Ų | 57.6 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | trans | -108.2 | 43 | -164.6 | -56 | -63.7 | 0 | 0 | 0 | 114.3 | N144 | D142-N144 PolarHBondContact O-N 3.16Š| ||
| 143 | S | 42.1 | Very low | 52.3 | Low | 58 Ų | 58 | 57.7 Ų | 57.7 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | trans | -76.7 | 73.4 | 174.5 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | F145 | S143-F145 PolarHBondContact O-N 2.95Š| ||
| 144 | N | 40 | Very low | 50.6 | Low | 134 Ų | 134 | 58.2 Ų | 58.2 | 72% | 0.717 | 32% | 0.317 | S | S | * | . | trans | -59.3 | 130.3 | 173.7 | -78.1 | -50.9 | 0 | 0 | 0 | 111.1 | D142 | D142-N144 PolarHBondContact O-N 3.16Š| ||
| 145 | F | 35.2 | Very low | 49.4 | Very low | 190 Ų | 190 | 58.3 Ų | 58.3 | 83% | 0.833 | 32% | 0.318 | S | S | * | . | trans | 65.6 | 89.9 | 179.5 | -58.8 | -80.9 | 0 | 0 | 0 | 118 | S143 | S143-F145 PolarHBondContact O-N 2.95Š| ||
| 146 | A | 32.9 | Very low | 48.3 | Very low | 30 Ų | 30 | 59.2 Ų | 59.2 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | trans | -155.5 | 139.6 | 136.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H244 | A146-H244 HydrophobicContact CB-CB 4.17Å; A146-H244 WeakPolarHBondContact CB-O 3.44Å | ||
| 147 | V | 38.3 | Very low | 47.6 | Very low | 114 Ų | 114 | 58.5 Ų | 58.5 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | trans | -101 | 85.9 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | H242 | V147-H242 HydrophobicContact CB-CB 4.5Š| ||
| 148 | A | 33.7 | Very low | 47.6 | Very low | 38 Ų | 38 | 55.2 Ų | 55.2 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | trans | -157.5 | 129.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G150 Y245 | A148-G150 PolarHBondContact O-N 2.88Å; A148-Y245 HydrophobicContact CB-CD1 4.5Å; A148-Y245 HydrophobicContact CB-CE1 4.33Å | ||
| 149 | S | 37.2 | Very low | 47.7 | Very low | 40 Ų | 40 | 55.2 Ų | 55.2 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | trans | -77.9 | 116.9 | -176.2 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 150 | G | 40.7 | Very low | 48.4 | Very low | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A148 R248 | A148-G150 PolarHBondContact O-N 2.88Å; G150-R248 PolarHBondContact O-NH1 2.84Å |
| 151 | A | 43.6 | Very low | 48.8 | Very low | 10 Ų | 10 | 46.7 Ų | 46.7 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.3 | 86.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T236 F250 | A151-T236 PolarHBondContact N-OG1 2.88Å; A151-F250 HydrophobicContact CB-CE2 3.85Å; A151-F250 HydrophobicContact CB-CZ 3.85Å |
| 152 | K | 47.2 | Very low | 49.6 | Very low | 41 Ų | 41 | 42.5 Ų | 42.5 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 105.8 | 172.2 | -176.8 | 177.5 | 169.3 | 169.9 | 0 | 109.4 | I154 T159 V160 F161 L234 K235 E237 | K152-I154 HydrophobicContact CD-CD1 4.01Å; K152-I154 HydrophobicContact CD-CG1 4.23Å; K152-I154 HydrophobicContact CG-CD1 4.09Å; K152-I154 HydrophobicContact CG-CG1 3.78Å; K152-I154 PolarHBondContact O-N 2.93Å; K152-T159 HydrophobicContact CD-CG2 4.25Å; K152-T159 HydrophobicContact CG-CG2 3.84Å; K152-V160 CarbonylContact C-O 3.56Å; K152-V160 WeakPolarHBondContact CA-O 3.49Å; K152-F161 HydrophobicContact CB-CB 4.21Å; K152-F161 HydrophobicContact CG-CB 4.21Å; K152-L234 CarbonylContact O-C 3.54Å; K152-K235 WeakPolarHBondContact CA-O 3.27Å; K152-K235 VanDerWaalsContact CB-O 3.31Å; K152-K235 WeakPolarHBondContact CB-O 3.47Å; K152-K235 PolarHBondContact N-O 2.82Å; K152-K235 PolarHBondContact O-N 2.95Å; K152-E237 IonicContact NZ-OE2 3.19Å; K152-E237 PolarHBondContact NZ-OE2 3.16Å |
| 153 | V | 52.9 | Low | 50.1 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 107.1 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109 | F134 F158 T159 V160 L234 F250 F253 | F134-V153 HydrophobicContact CZ-CG2 4.37Å; V153-F158 HydrophobicContact CB-CE2 4.47Å; V153-F158 HydrophobicContact CG1-CE2 3.83Å; V153-F158 HydrophobicContact CG1-CZ 4.27Å; V153-T159 CarbonylContact O-C 3.53Å; V153-T159 WeakPolarHBondContact O-CA 3.3Å; V153-V160 HydrophobicContact CB-CB 4.14Å; V153-V160 HydrophobicContact CG2-CB 4.4Å; V153-V160 PolarHBondContact N-O 2.84Å; V153-V160 PolarHBondContact O-N 3.01Å; V153-L234 HydrophobicContact CB-CD1 4.23Å; V153-L234 HydrophobicContact CB-CG 4.34Å; V153-L234 HydrophobicContact CG1-CD1 3.83Å; V153-L234 HydrophobicContact CG1-CG 4.46Å; V153-L234 HydrophobicContact CG2-CD1 4.01Å; V153-L234 HydrophobicContact CG2-CD2 4.23Å; V153-L234 HydrophobicContact CG2-CG 3.96Å; V153-F250 HydrophobicContact CG2-CE1 4.22Å; V153-F250 HydrophobicContact CG2-CZ 4.47Å; V153-F253 HydrophobicContact CG1-CE2 4.49Å |
| 154 | I | 50.1 | Low | 50.6 | Low | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142 | -176.2 | -54.2 | 177 | 0 | 0 | 0 | 110.6 | K152 F158 V232 F233 K235 | K152-I154 HydrophobicContact CD-CD1 4.01Å; K152-I154 HydrophobicContact CD-CG1 4.23Å; K152-I154 HydrophobicContact CG-CD1 4.09Å; K152-I154 HydrophobicContact CG-CG1 3.78Å; K152-I154 PolarHBondContact O-N 2.93Å; I154-F158 CarbonylContact C-O 3.51Å; I154-F158 WeakPolarHBondContact CA-O 3.47Å; I154-V232 WeakPolarHBondContact O-CG1 3.33Å; I154-F233 CarbonylContact C-O 3.4Å; I154-F233 VanDerWaalsContact CA-O 3.32Å; I154-F233 WeakPolarHBondContact CA-O 3.42Å; I154-F233 WeakPolarHBondContact CB-O 3.36Å; I154-F233 PolarHBondContact N-O 2.91Å; I154-F233 CarbonylContact O-C 3.5Å; I154-F233 PolarHBondContact O-N 3.31Å; I154-K235 HydrophobicContact CD1-CB 3.71Å; I154-K235 HydrophobicContact CD1-CD 3.75Å; I154-K235 HydrophobicContact CD1-CG 4.35Å; I154-K235 HydrophobicContact CG1-CB 4.44Å |
| 155 | S | 58.4 | Low | 51.3 | Low | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.028 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 174.1 | 140.8 | 89 | 0 | 0 | 0 | 0 | 108.8 | V119 S157 F158 | V119-S155 PolarHBondContact O-OG 3.08Å; S155-S157 PolarHBondContact O-N 3.43Å; S155-S157 PolarHBondContact OG-N 3.46Å; S155-F158 PolarHBondContact N-O 2.86Å; S155-F158 PolarHBondContact O-N 2.91Å; S155-F158 WeakPolarHBondContact OG-CD1 3.42Å; S155-F158 WeakPolarHBondContact OG-CE1 3.43Å; S155-F158 PolarHBondContact OG-N 2.82Å |
| 156 | N | 55.2 | Low | 52.6 | Low | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19.5 | 168.9 | -89.5 | 17.7 | 0 | 0 | 0 | 115 | S120 F228 G229 | S120-N156 WeakPolarHBondContact O-CB 3.26Å; N156-F228 PolarHBondContact ND2-O 3.45Å; N156-F228 WeakPolarHBondContact OD1-CB 3.48Å; N156-F228 PolarHBondContact OD1-O 3.37Å; N156-F228 VanDerWaalsContact OD1-O 3.13Å; N156-G229 PolarHBondContact OD1-O 3.33Å |
| 157 | S | 61.3 | Low | 54.5 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -18 | -178.7 | -77.9 | 0 | 0 | 0 | 0 | 114.6 | S120 D121 L122 S155 L171 Y172 | S120-S157 PolarHBondContact O-OG 3.3Å; D121-S157 WeakPolarHBondContact CA-OG 3.28Å; D121-S157 PolarHBondContact N-OG 3.38Å; L122-S157 PolarHBondContact N-OG 2.95Å; S155-S157 PolarHBondContact O-N 3.43Å; S155-S157 PolarHBondContact OG-N 3.46Å; S157-L171 WeakPolarHBondContact O-CA 3.46Å; S157-Y172 PolarHBondContact O-N 3.05Å |
| 158 | F | 69.3 | Low | 56.2 | Low | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 166.9 | -176.7 | 77.4 | -94.2 | 0 | 0 | 0 | 114.5 | F132 V153 I154 S155 V160 E170 L171 F196 F253 | F132-F158 HydrophobicContact CD1-CD1 4.35Å; F132-F158 AromaticContact CD1-CE1 3.64Å; F132-F158 HydrophobicContact CD1-CE1 3.64Å; F132-F158 AromaticContact CD1-CZ 3.99Å; F132-F158 HydrophobicContact CD1-CZ 3.99Å; F132-F158 HydrophobicContact CD2-CD1 4.19Å; F132-F158 HydrophobicContact CD2-CE1 4.26Å; F132-F158 AromaticContact CE1-CD1 3.96Å; F132-F158 HydrophobicContact CE1-CD1 3.96Å; F132-F158 AromaticContact CE1-CE1 3.35Å; F132-F158 HydrophobicContact CE1-CE1 3.35Å; F132-F158 HydrophobicContact CE1-CZ 4.14Å; F132-F158 AromaticContact CE2-CD1 3.74Å; F132-F158 HydrophobicContact CE2-CD1 3.74Å; F132-F158 AromaticContact CE2-CE1 3.99Å; F132-F158 HydrophobicContact CE2-CE1 3.99Å; F132-F158 HydrophobicContact CG-CD1 4.47Å; F132-F158 HydrophobicContact CG-CE1 4.1Å; F132-F158 HydrophobicContact CG-CZ 4.36Å; F132-F158 AromaticContact CZ-CD1 3.63Å; F132-F158 HydrophobicContact CZ-CD1 3.63Å; F132-F158 AromaticContact CZ-CE1 3.54Å; F132-F158 HydrophobicContact CZ-CE1 3.54Å; V153-F158 HydrophobicContact CB-CE2 4.47Å; V153-F158 HydrophobicContact CG1-CE2 3.83Å; V153-F158 HydrophobicContact CG1-CZ 4.27Å; I154-F158 CarbonylContact C-O 3.51Å; I154-F158 WeakPolarHBondContact CA-O 3.47Å; S155-F158 PolarHBondContact N-O 2.86Å; S155-F158 PolarHBondContact O-N 2.91Å; S155-F158 WeakPolarHBondContact OG-CD1 3.42Å; S155-F158 WeakPolarHBondContact OG-CE1 3.43Å; S155-F158 PolarHBondContact OG-N 2.82Å; F158-V160 HydrophobicContact CD2-CG2 4.17Å; F158-V160 HydrophobicContact CE2-CG2 4.3Å; F158-E170 CarbonylContact C-O 3.55Å; F158-E170 WeakPolarHBondContact CA-O 3.28Å; F158-L171 HydrophobicContact CB-CD2 3.73Å; F158-L171 HydrophobicContact CB-CG 3.89Å; F158-F196 HydrophobicContact CB-CE2 4.3Å; F158-F196 HydrophobicContact CB-CZ 4.4Å; F158-F196 HydrophobicContact CD2-CE1 4.49Å; F158-F196 HydrophobicContact CD2-CE2 4.28Å; F158-F196 AromaticContact CD2-CZ 3.55Å; F158-F196 HydrophobicContact CD2-CZ 3.55Å; F158-F196 AromaticContact CE2-CZ 3.86Å; F158-F196 HydrophobicContact CE2-CZ 3.86Å; F158-F196 HydrophobicContact CG-CE2 4.23Å; F158-F196 AromaticContact CG-CZ 3.92Å; F158-F196 HydrophobicContact CG-CZ 3.92Å; F158-F196 HydrophobicContact CZ-CZ 4.47Å; F158-F253 HydrophobicContact CZ-CZ 4.45Å |
| 159 | T | 66.8 | Low | 58.4 | Low | 11 Ų | 11 | 27.3 Ų | 27.3 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 119.5 | 179.8 | -80 | 0 | 0 | 0 | 0 | 110.4 | K152 V153 F161 V169 E170 | K152-T159 HydrophobicContact CD-CG2 4.25Å; K152-T159 HydrophobicContact CG-CG2 3.84Å; V153-T159 CarbonylContact O-C 3.53Å; V153-T159 WeakPolarHBondContact O-CA 3.3Å; T159-F161 HydrophobicContact CG2-CD1 3.84Å; T159-F161 HydrophobicContact CG2-CE1 4.34Å; T159-V169 CarbonylContact O-C 3.51Å; T159-E170 PolarHBondContact N-O 2.72Å; T159-E170 PolarHBondContact O-N 2.89Å |
| 160 | V | 67.7 | Low | 60.4 | Low | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.8 | 171.7 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | F134 K152 V153 F158 C168 V169 I184 F196 | F134-V160 HydrophobicContact CE1-CG2 4.36Å; F134-V160 HydrophobicContact CZ-CB 4.38Å; F134-V160 HydrophobicContact CZ-CG1 4.19Å; F134-V160 HydrophobicContact CZ-CG2 4.31Å; K152-V160 CarbonylContact C-O 3.56Å; K152-V160 WeakPolarHBondContact CA-O 3.49Å; V153-V160 HydrophobicContact CB-CB 4.14Å; V153-V160 HydrophobicContact CG2-CB 4.4Å; V153-V160 PolarHBondContact N-O 2.84Å; V153-V160 PolarHBondContact O-N 3.01Å; F158-V160 HydrophobicContact CD2-CG2 4.17Å; F158-V160 HydrophobicContact CE2-CG2 4.3Å; V160-C168 CarbonylContact C-O 3.59Å; V160-C168 WeakPolarHBondContact CA-O 3.29Å; V160-V169 HydrophobicContact CG1-CG2 4.08Å; V160-V169 HydrophobicContact CG2-CG1 4.22Å; V160-V169 HydrophobicContact CG2-CG2 4.11Å; V160-I184 HydrophobicContact CG1-CD1 3.78Å; V160-F196 HydrophobicContact CG2-CD1 4.43Å; V160-F196 HydrophobicContact CG2-CE1 3.61Å; V160-F196 HydrophobicContact CG2-CZ 4Å |
| 161 | F | 63.9 | Low | 62.2 | Low | 35 Ų | 35 | 25.5 Ų | 25.5 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 169.7 | 178.8 | 63.2 | -81.9 | 0 | 0 | 0 | 111.5 | K152 T159 G167 C168 E170 | K152-F161 HydrophobicContact CB-CB 4.21Å; K152-F161 HydrophobicContact CG-CB 4.21Å; T159-F161 HydrophobicContact CG2-CD1 3.84Å; T159-F161 HydrophobicContact CG2-CE1 4.34Å; F161-G167 CarbonylContact O-C 3.54Å; F161-G167 VanDerWaalsContact O-CA 3.31Å; F161-G167 WeakPolarHBondContact O-CA 3.45Å; F161-C168 HydrophobicContact CD1-CB 4.19Å; F161-C168 HydrophobicContact CD2-CB 4.46Å; F161-C168 HydrophobicContact CE1-CB 3.68Å; F161-C168 HydrophobicContact CE2-CB 3.97Å; F161-C168 HydrophobicContact CZ-CB 3.56Å; F161-C168 PolarHBondContact N-O 2.93Å; F161-C168 PolarHBondContact O-N 3.14Å; F161-E170 HydrophobicContact CE1-CG 4.11Å |
| 162 | A | 59.7 | Low | 63.7 | Low | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 139.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W136 K166 G167 I186 R248 | W136-A162 HydrophobicContact CH2-CB 3.59Å; W136-A162 HydrophobicContact CZ2-CB 4.06Å; A162-K166 WeakPolarHBondContact CA-O 3.1Å; A162-G167 VanDerWaalsContact CB-CA 3.46Å; A162-I186 HydrophobicContact CB-CD1 4.16Å; A162-I186 HydrophobicContact CB-CG1 4.38Å; A162-R248 PolarHBondContact O-NH1 3.12Å |
| 163 | D | 56.5 | Low | 64.7 | Low | 58 Ų | 58 | 26 Ų | 26 | 31% | 0.31 | 13% | 0.132 | S | C | . | . | trans | -89.5 | -156 | 173.7 | 64.4 | 41.5 | 0 | 0 | 0 | 111.5 | H165 K166 I186 | D163-H165 VanDerWaalsContact C-N 3.34Å; D163-H165 WeakPolarHBondContact OD1-CA 3.4Å; D163-H165 PolarHBondContact OD1-N 3.38Å; D163-K166 PolarHBondContact N-O 2.96Å; D163-K166 PolarHBondContact OD1-N 2.72Å; D163-I186 WeakPolarHBondContact O-CD1 3.18Å | ||
| 164 | S | 52.4 | Low | 65.1 | Low | 86 Ų | 86 | 31 Ų | 31 | 60% | 0.601 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -81.3 | -6.7 | 179.4 | 49 | 0 | 0 | 0 | 0 | 114.7 | ||
| 165 | H | 54.6 | Low | 65.5 | Low | 160 Ų | 160 | 36.4 Ų | 36.4 | 74% | 0.741 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -133.9 | -29.9 | -171.9 | -54.8 | -53.1 | 0 | 0 | 0 | 113.3 | D163 | D163-H165 VanDerWaalsContact C-N 3.34Å; D163-H165 WeakPolarHBondContact OD1-CA 3.4Å; D163-H165 PolarHBondContact OD1-N 3.38Å |
| 166 | K | 63.2 | Low | 65.3 | Low | 76 Ų | 76 | 39.8 Ų | 39.8 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | trans | -151.7 | 151.5 | 179.4 | 54.6 | 175.2 | 171.2 | -175.9 | 0 | 114.2 | A162 D163 E183 | A162-K166 WeakPolarHBondContact CA-O 3.1Å; D163-K166 PolarHBondContact N-O 2.96Å; D163-K166 PolarHBondContact OD1-N 2.72Å; K166-E183 VanDerWaalsContact CD-CD 3.49Å; K166-E183 WeakPolarHBondContact CD-OE1 3.42Å; K166-E183 WeakPolarHBondContact CD-OE2 3.43Å; K166-E183 WeakPolarHBondContact CE-OE1 3.46Å; K166-E183 IonicContact NZ-OE1 3.42Å; K166-E183 PolarHBondContact NZ-OE1 2.96Å; K166-E183 IonicContact NZ-OE2 2.76Å; K166-E183 PolarHBondContact NZ-OE2 2.91Å | ||
| 167 | G | 71.4 | Confident | 65.7 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 162.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F161 A162 E183 I184 | F161-G167 CarbonylContact O-C 3.54Å; F161-G167 VanDerWaalsContact O-CA 3.31Å; F161-G167 WeakPolarHBondContact O-CA 3.45Å; A162-G167 VanDerWaalsContact CB-CA 3.46Å; G167-E183 CarbonylContact O-C 3.58Å; G167-E183 WeakPolarHBondContact O-CA 3.49Å; G167-I184 WeakPolarHBondContact CA-O 3.48Å; G167-I184 PolarHBondContact N-O 3.31Å; G167-I184 PolarHBondContact O-N 3.04Å |
| 168 | C | 74.3 | Confident | 66.3 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 135.6 | 179.1 | -77.2 | 0 | 0 | 0 | 0 | 110.3 | V160 F161 R181 A182 | V160-C168 CarbonylContact C-O 3.59Å; V160-C168 WeakPolarHBondContact CA-O 3.29Å; F161-C168 HydrophobicContact CD1-CB 4.19Å; F161-C168 HydrophobicContact CD2-CB 4.46Å; F161-C168 HydrophobicContact CE1-CB 3.68Å; F161-C168 HydrophobicContact CE2-CB 3.97Å; F161-C168 HydrophobicContact CZ-CB 3.56Å; F161-C168 PolarHBondContact N-O 2.93Å; F161-C168 PolarHBondContact O-N 3.14Å; C168-R181 PolarHBondContact SG-NE 3.27Å; C168-R181 PolarHBondContact SG-NH2 3.07Å; C168-A182 CarbonylContact C-O 3.57Å; C168-A182 WeakPolarHBondContact CA-O 3.24Å |
| 169 | V | 80.7 | Confident | 66.9 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.3 | 160 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | T159 V160 L171 R181 A182 I184 F196 L204 V206 | T159-V169 CarbonylContact O-C 3.51Å; V160-V169 HydrophobicContact CG1-CG2 4.08Å; V160-V169 HydrophobicContact CG2-CG1 4.22Å; V160-V169 HydrophobicContact CG2-CG2 4.11Å; V169-L171 HydrophobicContact CG1-CD1 4.48Å; V169-R181 CarbonylContact O-C 3.53Å; V169-R181 VanDerWaalsContact O-CA 3.31Å; V169-R181 WeakPolarHBondContact O-CA 3.48Å; V169-A182 PolarHBondContact N-O 3.31Å; V169-A182 PolarHBondContact O-N 3.46Å; V169-I184 HydrophobicContact CG2-CD1 3.59Å; V169-I184 HydrophobicContact CG2-CG1 4.15Å; V169-F196 HydrophobicContact CG1-CD1 4.1Å; V169-F196 HydrophobicContact CG1-CD2 3.76Å; V169-F196 HydrophobicContact CG1-CE1 4.24Å; V169-F196 HydrophobicContact CG1-CE2 3.9Å; V169-F196 HydrophobicContact CG1-CG 3.87Å; V169-F196 HydrophobicContact CG1-CZ 4.14Å; V169-F196 HydrophobicContact CG2-CD1 4.17Å; V169-F196 HydrophobicContact CG2-CG 4.41Å; V169-L204 HydrophobicContact CB-CD2 4.26Å; V169-L204 HydrophobicContact CG1-CD1 4.11Å; V169-L204 HydrophobicContact CG1-CD2 4.08Å; V169-V206 HydrophobicContact CB-CG2 3.95Å; V169-V206 HydrophobicContact CG2-CG1 4.08Å; V169-V206 HydrophobicContact CG2-CG2 3.73Å |
| 170 | E | 78.9 | Confident | 67.7 | Low | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.7 | 168.8 | -65.2 | -176.5 | 164.9 | 0 | 0 | 109.8 | F158 T159 F161 Y172 W180 R181 | F158-E170 CarbonylContact C-O 3.55Å; F158-E170 WeakPolarHBondContact CA-O 3.28Å; T159-E170 PolarHBondContact N-O 2.72Å; T159-E170 PolarHBondContact O-N 2.89Å; F161-E170 HydrophobicContact CE1-CG 4.11Å; E170-Y172 HydrophobicContact CB-CD2 4.49Å; E170-Y172 HydrophobicContact CB-CE2 3.68Å; E170-Y172 PolarHBondContact OE2-OH 2.95Å; E170-W180 CarbonylContact C-O 3.54Å; E170-W180 WeakPolarHBondContact CA-O 3.16Å; E170-R181 HydrophobicContact CG-CB 4.04Å; E170-R181 HydrophobicContact CG-CG 3.81Å; E170-R181 VanDerWaalsContact OE1-CD 3.32Å; E170-R181 WeakPolarHBondContact OE1-CD 3.48Å; E170-R181 IonicContact OE1-CZ 3.59Å; E170-R181 IonicContact OE1-NE 2.66Å; E170-R181 IonicContact OE1-NH1 3.44Å; E170-R181 PolarHBondContact OE1-NH1 3.47Å |
| 171 | L | 78.4 | Confident | 68.5 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.2 | 175 | -86 | 136.5 | 0 | 0 | 0 | 109.6 | L122 S157 F158 V169 R179 W180 F196 W198 L204 | L122-L171 HydrophobicContact CD1-CB 4.27Å; L122-L171 HydrophobicContact CD1-CD2 3.69Å; L122-L171 HydrophobicContact CD2-CD2 3.94Å; L122-L171 HydrophobicContact CG-CD2 4.42Å; S157-L171 WeakPolarHBondContact O-CA 3.46Å; F158-L171 HydrophobicContact CB-CD2 3.73Å; F158-L171 HydrophobicContact CB-CG 3.89Å; V169-L171 HydrophobicContact CG1-CD1 4.48Å; L171-R179 CarbonylContact O-C 3.54Å; L171-R179 WeakPolarHBondContact O-CA 3.4Å; L171-W180 HydrophobicContact CB-CB 4.46Å; L171-W180 HydrophobicContact CB-CE3 4.39Å; L171-W180 PolarHBondContact N-O 3.19Å; L171-W180 PolarHBondContact O-N 2.63Å; L171-F196 HydrophobicContact CD1-CD2 4.03Å; L171-F196 HydrophobicContact CD1-CE2 4.14Å; L171-F196 HydrophobicContact CD2-CE2 4.45Å; L171-F196 HydrophobicContact CG-CE2 4.4Å; L171-W198 HydrophobicContact CD1-CB 3.87Å; L171-W198 HydrophobicContact CD1-CG 4.21Å; L171-W198 HydrophobicContact CD2-CB 4.32Å; L171-W198 HydrophobicContact CD2-CG 4.47Å; L171-L204 HydrophobicContact CD1-CB 4.13Å; L171-L204 HydrophobicContact CD1-CD1 3.42Å; L171-L204 VanDerWaalsContact CD1-CD1 3.42Å; L171-L204 HydrophobicContact CD1-CD2 4.03Å; L171-L204 HydrophobicContact CD1-CG 4.03Å |
| 172 | Y | 74.2 | Confident | 69.5 | Low | 55 Ų | 55 | 52.7 Ų | 52.7 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.3 | -171.2 | -66.4 | -96.1 | 0 | 0 | 0 | 110.7 | L122 S157 E170 H178 R179 | L122-Y172 WeakPolarHBondContact CD1-O 3.2Å; S157-Y172 PolarHBondContact O-N 3.05Å; E170-Y172 HydrophobicContact CB-CD2 4.49Å; E170-Y172 HydrophobicContact CB-CE2 3.68Å; E170-Y172 PolarHBondContact OE2-OH 2.95Å; Y172-H178 WeakPolarHBondContact CA-O 3.42Å; Y172-R179 HydrophobicContact CD1-CB 3.99Å; Y172-R179 HydrophobicContact CD1-CG 4.08Å; Y172-R179 HydrophobicContact CE1-CB 3.87Å; Y172-R179 HydrophobicContact CE1-CG 3.62Å; Y172-R179 HydrophobicContact CE2-CG 4.22Å; Y172-R179 VanDerWaalsContact CZ-CD 3.48Å; Y172-R179 WeakPolarHBondContact OH-CD 3.37Å |
| 173 | T | 69.1 | Low | 70.5 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -97.7 | 135.8 | 169 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | L122 K177 H178 W180 W198 | L122-T173 HydrophobicContact CB-CG2 3.99Å; L122-T173 HydrophobicContact CD1-CG2 4.12Å; T173-K177 PolarHBondContact O-N 2.98Å; T173-H178 PolarHBondContact N-O 3.17Å; T173-H178 VanDerWaalsContact N-O 3.15Å; T173-H178 PolarHBondContact OG1-N 2.84Å; T173-H178 PolarHBondContact OG1-O 3.25Å; T173-W180 HydrophobicContact CG2-CH2 3.88Å; T173-W180 HydrophobicContact CG2-CZ3 3.72Å; T173-W198 HydrophobicContact CG2-CH2 4.21Å; T173-W198 HydrophobicContact CG2-CZ2 4Å | ||
| 174 | Q | 61.9 | Low | 71.6 | Confident | 110 Ų | 110 | 54.3 Ų | 54.3 | 51% | 0.514 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -47.7 | -175.6 | -69 | -164.7 | -39.9 | 0 | 0 | 113.3 | ||
| 175 | D | 58 | Low | 72.4 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 66% | 0.658 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -45.8 | -173.2 | -57.8 | -52.2 | 0 | 0 | 0 | 113.3 | N123 | N123-D175 PolarHBondContact ND2-OD2 2.9Š|
| 176 | D | 54 | Low | 72.8 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -4.4 | -169.5 | -76.6 | -36 | 0 | 0 | 0 | 113.6 | H178 K200 | D176-H178 HydrophobicContact CB-CB 4.46Å; D176-H178 PolarHBondContact O-N 2.77Å; D176-H178 PolarHBondContact O-ND1 2.69Å; D176-K200 IonicContact OD2-NZ 3.61Å; D176-K200 PolarHBondContact OD2-NZ 3.44Å |
| 177 | K | 63.7 | Low | 72.3 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 44% | 0.435 | 23% | 0.229 | S | C | . | . | trans | 46.4 | 24.2 | -167.4 | -61.2 | -167.1 | -180 | -176.2 | 0 | 115.3 | T173 S222 E223 | T173-K177 PolarHBondContact O-N 2.98Å; K177-S222 WeakPolarHBondContact CB-O 3.49Å; K177-S222 VanDerWaalsContact CD-O 3.31Å; K177-S222 WeakPolarHBondContact CD-O 3.48Å; K177-S222 PolarHBondContact O-N 3.33Å; K177-E223 PolarHBondContact NZ-O 2.88Å | ||
| 178 | H | 74.3 | Confident | 71.7 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 137.2 | 177.7 | -79.6 | 50.5 | 0 | 0 | 0 | 110.9 | Y172 T173 D176 W180 | Y172-H178 WeakPolarHBondContact CA-O 3.42Å; T173-H178 PolarHBondContact N-O 3.17Å; T173-H178 VanDerWaalsContact N-O 3.15Å; T173-H178 PolarHBondContact OG1-N 2.84Å; T173-H178 PolarHBondContact OG1-O 3.25Å; D176-H178 HydrophobicContact CB-CB 4.46Å; D176-H178 PolarHBondContact O-N 2.77Å; D176-H178 PolarHBondContact O-ND1 2.69Å; H178-W180 HydrophobicContact CB-CH2 3.57Å; H178-W180 HydrophobicContact CB-CZ2 4.25Å; H178-W180 HydrophobicContact CB-CZ3 3.8Å; H178-W180 WeakPolarHBondContact O-CZ3 3.24Å |
| 179 | R | 80.3 | Confident | 71.2 | Confident | 67 Ų | 67 | 51 Ų | 51 | 25% | 0.253 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.6 | 176.9 | 177.5 | -168.8 | 60 | -152.1 | -13.9 | 111 | L171 Y172 G219 S220 | L171-R179 CarbonylContact O-C 3.54Å; L171-R179 WeakPolarHBondContact O-CA 3.4Å; Y172-R179 HydrophobicContact CD1-CB 3.99Å; Y172-R179 HydrophobicContact CD1-CG 4.08Å; Y172-R179 HydrophobicContact CE1-CB 3.87Å; Y172-R179 HydrophobicContact CE1-CG 3.62Å; Y172-R179 HydrophobicContact CE2-CG 4.22Å; Y172-R179 VanDerWaalsContact CZ-CD 3.48Å; Y172-R179 WeakPolarHBondContact OH-CD 3.37Å; R179-G219 CarbonylContact O-C 3.55Å; R179-G219 WeakPolarHBondContact O-CA 3.2Å; R179-S220 PolarHBondContact N-O 2.83Å; R179-S220 PolarHBondContact NH2-OG 3.35Å; R179-S220 PolarHBondContact O-N 2.7Å; R179-S220 PolarHBondContact O-OG 3.08Å |
| 180 | W | 84.9 | Confident | 70.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 148.8 | 167.9 | -62.5 | -98 | 0 | 0 | 0 | 110.5 | E170 L171 T173 H178 W198 L204 D216 G219 | E170-W180 CarbonylContact C-O 3.54Å; E170-W180 WeakPolarHBondContact CA-O 3.16Å; L171-W180 HydrophobicContact CB-CB 4.46Å; L171-W180 HydrophobicContact CB-CE3 4.39Å; L171-W180 PolarHBondContact N-O 3.19Å; L171-W180 PolarHBondContact O-N 2.63Å; T173-W180 HydrophobicContact CG2-CH2 3.88Å; T173-W180 HydrophobicContact CG2-CZ3 3.72Å; H178-W180 HydrophobicContact CB-CH2 3.57Å; H178-W180 HydrophobicContact CB-CZ2 4.25Å; H178-W180 HydrophobicContact CB-CZ3 3.8Å; H178-W180 WeakPolarHBondContact O-CZ3 3.24Å; W180-W198 AromaticContact CD2-NE1 3.35Å; W180-W198 VanDerWaalsContact CD2-NE1 3.35Å; W180-W198 AromaticContact CE2-NE1 3.49Å; W180-W198 AromaticContact CE3-NE1 3.45Å; W180-W198 AromaticContact CG-NE1 3.99Å; W180-W198 AromaticContact CH2-CZ2 3.79Å; W180-W198 HydrophobicContact CH2-CZ2 3.79Å; W180-W198 AromaticContact CH2-NE1 3.9Å; W180-W198 HydrophobicContact CZ2-CZ2 4.15Å; W180-W198 AromaticContact CZ2-NE1 3.77Å; W180-W198 HydrophobicContact CZ3-CZ2 4.04Å; W180-W198 AromaticContact CZ3-NE1 3.74Å; W180-L204 HydrophobicContact CB-CB 3.78Å; W180-L204 HydrophobicContact CB-CD2 4.17Å; W180-L204 HydrophobicContact CG-CB 4.37Å; W180-D216 WeakPolarHBondContact CA-OD2 3.08Å; W180-G219 VanDerWaalsContact CD1-CA 3.46Å; W180-G219 VanDerWaalsContact CD1-N 3.33Å |
| 181 | R | 84.4 | Confident | 70.3 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 37% | 0.366 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 128.9 | 178.2 | -178.6 | 176.5 | 179.4 | 150.3 | -9.6 | 113.5 | C168 V169 E170 D216 | C168-R181 PolarHBondContact SG-NE 3.27Å; C168-R181 PolarHBondContact SG-NH2 3.07Å; V169-R181 CarbonylContact O-C 3.53Å; V169-R181 VanDerWaalsContact O-CA 3.31Å; V169-R181 WeakPolarHBondContact O-CA 3.48Å; E170-R181 HydrophobicContact CG-CB 4.04Å; E170-R181 HydrophobicContact CG-CG 3.81Å; E170-R181 VanDerWaalsContact OE1-CD 3.32Å; E170-R181 WeakPolarHBondContact OE1-CD 3.48Å; E170-R181 IonicContact OE1-CZ 3.59Å; E170-R181 IonicContact OE1-NE 2.66Å; E170-R181 IonicContact OE1-NH1 3.44Å; E170-R181 PolarHBondContact OE1-NH1 3.47Å; R181-D216 PolarHBondContact N-OD2 3.29Å; R181-D216 WeakPolarHBondContact O-CB 3.08Å |
| 182 | A | 85.3 | Confident | 70.3 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 148.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C168 V169 L204 V206 | C168-A182 CarbonylContact C-O 3.57Å; C168-A182 WeakPolarHBondContact CA-O 3.24Å; V169-A182 PolarHBondContact N-O 3.31Å; V169-A182 PolarHBondContact O-N 3.46Å; A182-L204 HydrophobicContact CB-CD2 3.78Å; A182-L204 HydrophobicContact CB-CG 4.03Å; A182-V206 HydrophobicContact CB-CB 4.48Å; A182-V206 HydrophobicContact CB-CG2 3.62Å |
| 183 | E | 81 | Confident | 70.8 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 155.2 | -173.6 | -50.1 | -156.8 | 151.4 | 0 | 0 | 112.9 | K166 G167 | K166-E183 VanDerWaalsContact CD-CD 3.49Å; K166-E183 WeakPolarHBondContact CD-OE1 3.42Å; K166-E183 WeakPolarHBondContact CD-OE2 3.43Å; K166-E183 WeakPolarHBondContact CE-OE1 3.46Å; K166-E183 IonicContact NZ-OE1 3.42Å; K166-E183 PolarHBondContact NZ-OE1 2.96Å; K166-E183 IonicContact NZ-OE2 2.76Å; K166-E183 PolarHBondContact NZ-OE2 2.91Å; G167-E183 CarbonylContact O-C 3.58Å; G167-E183 WeakPolarHBondContact O-CA 3.49Å |
| 184 | I | 78.6 | Confident | 71.6 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.3 | 177.8 | -64.7 | 167.2 | 0 | 0 | 0 | 108.8 | W136 V160 G167 V169 I186 V194 V206 I208 | W136-I184 HydrophobicContact CZ3-CD1 4.48Å; W136-I184 HydrophobicContact CZ3-CG2 4.34Å; V160-I184 HydrophobicContact CG1-CD1 3.78Å; G167-I184 WeakPolarHBondContact CA-O 3.48Å; G167-I184 PolarHBondContact N-O 3.31Å; G167-I184 PolarHBondContact O-N 3.04Å; V169-I184 HydrophobicContact CG2-CD1 3.59Å; V169-I184 HydrophobicContact CG2-CG1 4.15Å; I184-I186 PolarHBondContact O-N 3.43Å; I184-V194 HydrophobicContact CD1-CG1 3.83Å; I184-V206 HydrophobicContact CG1-CG1 3.95Å; I184-I208 HydrophobicContact CB-CD1 4.48Å; I184-I208 HydrophobicContact CG1-CD1 4.23Å; I184-I208 HydrophobicContact CG2-CD1 3.69Å; I184-I208 HydrophobicContact CG2-CG1 4.41Å |
| 185 | P | 69.7 | Low | 72.9 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | trans | -67.9 | 126.3 | 170.2 | 28.1 | -34.8 | 0 | 0 | 0 | 111 | S187 I208 C213 | P185-S187 PolarHBondContact O-N 3.31Å; P185-S187 VanDerWaalsContact O-N 3.08Å; P185-I208 HydrophobicContact CG-CG1 4.48Å; P185-C213 WeakPolarHBondContact CD-SG 3.46Å | ||
| 186 | I | 61.7 | Low | 74.5 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | trans | -74.5 | 102.2 | 173.8 | -56.3 | -179.8 | 0 | 0 | 0 | 108.5 | A162 D163 I184 | A162-I186 HydrophobicContact CB-CD1 4.16Å; A162-I186 HydrophobicContact CB-CG1 4.38Å; D163-I186 WeakPolarHBondContact O-CD1 3.18Å; I184-I186 PolarHBondContact O-N 3.43Å | ||
| 187 | S | 53.4 | Low | 76.3 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | trans | -79.9 | 157.5 | 169.9 | -65 | 0 | 0 | 0 | 0 | 111.2 | N138 P185 | N138-S187 PolarHBondContact ND2-O 2.88Å; P185-S187 PolarHBondContact O-N 3.31Å; P185-S187 VanDerWaalsContact O-N 3.08Å | ||
| 188 | G | 58 | Low | 77.5 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 33% | 0.33 | 20% | 0.196 | S | C | . | . | trans | -72 | -141.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y190 | G188-Y190 PolarHBondContact O-N 3Š| ||
| 189 | P | 63.9 | Low | 78.1 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -76.2 | 27.5 | -169.4 | 32.6 | -37.2 | 0 | 0 | 0 | 115.5 | K137 N138 | K137-P189 VanDerWaalsContact CE-O 3.24Å; K137-P189 WeakPolarHBondContact CE-O 3.19Å; N138-P189 VanDerWaalsContact O-CA 3.31Å; N138-P189 WeakPolarHBondContact O-CA 3.45Å |
| 190 | Y | 68.8 | Low | 78.2 | Confident | 168 Ų | 168 | 39.5 Ų | 39.5 | 66% | 0.659 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -114.4 | 150.7 | -171.6 | -53.9 | -73.2 | 0 | 0 | 0 | 111.9 | G188 T192 | G188-Y190 PolarHBondContact O-N 3Å; Y190-T192 PolarHBondContact O-N 3.01Å; Y190-T192 PolarHBondContact O-OG1 2.98Å |
| 191 | W | 73.4 | Confident | 78.1 | Confident | 48 Ų | 48 | 48 Ų | 48 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | trans | -63.7 | 121.8 | 170.7 | -75.9 | 123.4 | 0 | 0 | 0 | 110 | G92 V93 F135 K137 A249 D251 | G92-W191 PolarHBondContact O-NE1 2.73Å; G92-W191 VanDerWaalsContact O-NE1 3.16Å; V93-W191 HydrophobicContact CG2-CB 4.03Å; V93-W191 HydrophobicContact CG2-CD2 3.87Å; V93-W191 HydrophobicContact CG2-CE3 4.46Å; V93-W191 HydrophobicContact CG2-CG 3.66Å; F135-W191 HydrophobicContact CB-CE3 3.95Å; F135-W191 HydrophobicContact CB-CZ3 4.36Å; K137-W191 HydrophobicContact CB-CD2 3.65Å; K137-W191 HydrophobicContact CB-CE3 3.41Å; K137-W191 VanDerWaalsContact CB-CE3 3.41Å; K137-W191 HydrophobicContact CB-CG 4.25Å; K137-W191 HydrophobicContact CB-CH2 4.25Å; K137-W191 HydrophobicContact CB-CZ2 4.46Å; K137-W191 HydrophobicContact CB-CZ3 3.73Å; K137-W191 HydrophobicContact CD-CD2 3.74Å; K137-W191 HydrophobicContact CD-CE3 4.36Å; K137-W191 HydrophobicContact CD-CG 3.92Å; K137-W191 HydrophobicContact CD-CZ2 4.19Å; K137-W191 HydrophobicContact CG-CD2 4.35Å; W191-A249 HydrophobicContact CH2-CB 3.73Å; W191-A249 HydrophobicContact CZ2-CB 4.42Å; W191-A249 HydrophobicContact CZ3-CB 4.31Å; W191-A249 WeakPolarHBondContact CZ3-O 3.25Å; W191-D251 HydrophobicContact CH2-CB 3.9Å; W191-D251 HydrophobicContact CZ2-CB 4.44Å; W191-D251 HydrophobicContact CZ3-CB 3.93Å | ||
| 192 | T | 77.3 | Confident | 78 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.7 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | F135 W136 Y190 V194 I208 | F135-T192 CarbonylContact C-O 3.57Å; F135-T192 WeakPolarHBondContact CA-O 3.35Å; W136-T192 PolarHBondContact N-O 3.11Å; W136-T192 WeakPolarHBondContact O-CB 3.36Å; W136-T192 PolarHBondContact O-N 2.92Å; Y190-T192 PolarHBondContact O-N 3.01Å; Y190-T192 PolarHBondContact O-OG1 2.98Å; T192-V194 HydrophobicContact CG2-CG2 4.44Å; T192-I208 HydrophobicContact CG2-CG2 3.64Å |
| 193 | H | 85.6 | Confident | 78 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.7 | 174.4 | -177.6 | -118.2 | 0 | 0 | 0 | 109.9 | S133 F135 I208 N209 Y268 Y269 | S133-H193 PolarHBondContact OG-NE2 3.48Å; F135-H193 HydrophobicContact CD1-CB 3.92Å; F135-H193 AromaticContact CD2-CD2 3.91Å; F135-H193 HydrophobicContact CE1-CB 3.7Å; F135-H193 AromaticContact CE2-CD2 3.66Å; F135-H193 HydrophobicContact CZ-CB 4.13Å; F135-H193 AromaticContact CZ-CD2 3.82Å; H193-I208 WeakPolarHBondContact O-CA 3.42Å; H193-N209 PolarHBondContact N-OD1 3.37Å; H193-N209 PolarHBondContact O-N 2.82Å; H193-Y268 AromaticContact CE1-CE1 3.85Å; H193-Y268 AromaticContact NE2-CE1 3.61Å; H193-Y269 HydrophobicContact CB-CD2 3.59Å; H193-Y269 HydrophobicContact CB-CE2 3.52Å; H193-Y269 AromaticContact CG-CD2 3.6Å; H193-Y269 AromaticContact ND1-CD2 3.42Å; H193-Y269 WeakPolarHBondContact ND1-CD2 3.46Å |
| 194 | V | 85 | Confident | 78.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 117.3 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | S133 F134 W136 I184 T192 I208 | S133-V194 WeakPolarHBondContact CA-O 3.16Å; F134-V194 HydrophobicContact CD2-CB 4.27Å; F134-V194 HydrophobicContact CE2-CB 3.84Å; F134-V194 HydrophobicContact CE2-CG1 4.26Å; F134-V194 HydrophobicContact CE2-CG2 4.2Å; F134-V194 HydrophobicContact CZ-CB 4.03Å; F134-V194 HydrophobicContact CZ-CG1 3.96Å; F134-V194 PolarHBondContact N-O 3.27Å; F134-V194 PolarHBondContact O-N 2.9Å; F134-V194 VanDerWaalsContact O-O 3.14Å; W136-V194 HydrophobicContact CE3-CG2 4.03Å; I184-V194 HydrophobicContact CD1-CG1 3.83Å; T192-V194 HydrophobicContact CG2-CG2 4.44Å; V194-I208 HydrophobicContact CB-CD1 4.28Å; V194-I208 HydrophobicContact CG1-CD1 4.08Å; V194-I208 HydrophobicContact CG2-CD1 3.87Å |
| 195 | L | 90.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.5 | 178.2 | 178.8 | 156.4 | 0 | 0 | 0 | 109.4 | T131 F132 T197 F207 L260 I265 Y268 | T131-L195 HydrophobicContact CG2-CD1 4.22Å; T131-L195 HydrophobicContact CG2-CD2 3.77Å; T131-L195 HydrophobicContact CG2-CG 3.9Å; F132-L195 CarbonylContact O-C 3.59Å; F132-L195 VanDerWaalsContact O-CA 3.24Å; F132-L195 WeakPolarHBondContact O-CA 3.26Å; F132-L195 WeakPolarHBondContact O-CG 3.14Å; L195-T197 HydrophobicContact CD2-CG2 4.15Å; L195-F207 HydrophobicContact CD2-CB 4.31Å; L195-F207 HydrophobicContact CD2-CD2 3.91Å; L195-F207 HydrophobicContact CD2-CG 4.34Å; L195-F207 PolarHBondContact N-O 3.35Å; L195-F207 WeakPolarHBondContact O-CA 3.47Å; L195-F207 WeakPolarHBondContact O-CB 3.33Å; L195-F207 PolarHBondContact O-N 3.08Å; L195-F207 VanDerWaalsContact O-O 3.06Å; L195-L260 HydrophobicContact CD1-CD1 4.48Å; L195-I265 HydrophobicContact CD1-CG1 4.21Å; L195-I265 HydrophobicContact CD1-CG2 4.21Å; L195-I265 HydrophobicContact CD2-CB 4.48Å; L195-I265 HydrophobicContact CD2-CD1 3.57Å; L195-I265 HydrophobicContact CD2-CG1 3.68Å; L195-I265 HydrophobicContact CD2-CG2 4.01Å; L195-Y268 HydrophobicContact CD1-CD1 3.92Å; L195-Y268 HydrophobicContact CD1-CE1 4.03Å |
| 196 | F | 90.5 | Very high | 79.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.4 | 175.6 | 62.5 | -86.9 | 0 | 0 | 0 | 112.6 | T131 F132 F134 F158 V160 V169 L171 L204 K205 V206 | T131-F196 WeakPolarHBondContact CA-O 3.39Å; F132-F196 HydrophobicContact CB-CD1 4.25Å; F132-F196 HydrophobicContact CB-CE1 3.69Å; F132-F196 HydrophobicContact CB-CE2 4.01Å; F132-F196 HydrophobicContact CB-CZ 3.55Å; F132-F196 HydrophobicContact CD2-CD2 4.21Å; F132-F196 AromaticContact CD2-CE2 3.45Å; F132-F196 HydrophobicContact CD2-CE2 3.45Å; F132-F196 VanDerWaalsContact CD2-CE2 3.45Å; F132-F196 AromaticContact CD2-CZ 3.7Å; F132-F196 HydrophobicContact CD2-CZ 3.7Å; F132-F196 HydrophobicContact CE2-CE2 4.29Å; F132-F196 HydrophobicContact CG-CE1 4.45Å; F132-F196 HydrophobicContact CG-CE2 4.05Å; F132-F196 AromaticContact CG-CZ 3.82Å; F132-F196 HydrophobicContact CG-CZ 3.82Å; F132-F196 PolarHBondContact N-O 3.34Å; F132-F196 PolarHBondContact O-N 2.79Å; F134-F196 HydrophobicContact CE1-CE1 4.34Å; F158-F196 HydrophobicContact CB-CE2 4.3Å; F158-F196 HydrophobicContact CB-CZ 4.4Å; F158-F196 HydrophobicContact CD2-CE1 4.49Å; F158-F196 HydrophobicContact CD2-CE2 4.28Å; F158-F196 AromaticContact CD2-CZ 3.55Å; F158-F196 HydrophobicContact CD2-CZ 3.55Å; F158-F196 AromaticContact CE2-CZ 3.86Å; F158-F196 HydrophobicContact CE2-CZ 3.86Å; F158-F196 HydrophobicContact CG-CE2 4.23Å; F158-F196 AromaticContact CG-CZ 3.92Å; F158-F196 HydrophobicContact CG-CZ 3.92Å; F158-F196 HydrophobicContact CZ-CZ 4.47Å; V160-F196 HydrophobicContact CG2-CD1 4.43Å; V160-F196 HydrophobicContact CG2-CE1 3.61Å; V160-F196 HydrophobicContact CG2-CZ 4Å; V169-F196 HydrophobicContact CG1-CD1 4.1Å; V169-F196 HydrophobicContact CG1-CD2 3.76Å; V169-F196 HydrophobicContact CG1-CE1 4.24Å; V169-F196 HydrophobicContact CG1-CE2 3.9Å; V169-F196 HydrophobicContact CG1-CG 3.87Å; V169-F196 HydrophobicContact CG1-CZ 4.14Å; V169-F196 HydrophobicContact CG2-CD1 4.17Å; V169-F196 HydrophobicContact CG2-CG 4.41Å; L171-F196 HydrophobicContact CD1-CD2 4.03Å; L171-F196 HydrophobicContact CD1-CE2 4.14Å; L171-F196 HydrophobicContact CD2-CE2 4.45Å; L171-F196 HydrophobicContact CG-CE2 4.4Å; F196-L204 HydrophobicContact CB-CD1 4.04Å; F196-L204 HydrophobicContact CD2-CD1 4.11Å; F196-L204 HydrophobicContact CG-CD1 4.46Å; F196-K205 CarbonylContact C-O 3.48Å; F196-K205 VanDerWaalsContact CA-O 3.27Å; F196-K205 WeakPolarHBondContact CA-O 3.17Å; F196-K205 WeakPolarHBondContact CB-O 3.29Å; F196-V206 HydrophobicContact CB-CB 4.38Å; F196-V206 HydrophobicContact CB-CG1 4.49Å; F196-V206 HydrophobicContact CB-CG2 3.94Å |
| 197 | T | 91.3 | Very high | 81.2 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.5 | -177.5 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | V130 T131 L195 K205 F207 I265 | V130-T197 VanDerWaalsContact O-CA 3.29Å; V130-T197 WeakPolarHBondContact O-CA 3.36Å; T131-T197 HydrophobicContact CG2-CG2 3.77Å; L195-T197 HydrophobicContact CD2-CG2 4.15Å; T197-K205 PolarHBondContact N-O 3.15Å; T197-K205 PolarHBondContact O-N 3.44Å; T197-F207 HydrophobicContact CG2-CE2 4.23Å; T197-I265 HydrophobicContact CG2-CD1 3.92Å |
| 198 | W | 89.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.3 | 173.2 | 176.1 | 94.9 | 0 | 0 | 0 | 112.5 | L122 G129 V130 L171 T173 W180 K200 G203 | L122-W198 HydrophobicContact CB-CE3 4.33Å; L122-W198 HydrophobicContact CB-CH2 3.84Å; L122-W198 HydrophobicContact CB-CZ2 4.49Å; L122-W198 HydrophobicContact CB-CZ3 3.76Å; L122-W198 HydrophobicContact CD1-CD2 4.2Å; L122-W198 HydrophobicContact CD1-CE3 4.32Å; L122-W198 HydrophobicContact CD1-CH2 4.39Å; L122-W198 HydrophobicContact CD1-CZ2 4.27Å; L122-W198 HydrophobicContact CD1-CZ3 4.42Å; L122-W198 HydrophobicContact CD2-CE3 4.12Å; L122-W198 HydrophobicContact CD2-CZ3 4.35Å; L122-W198 HydrophobicContact CG-CE3 4.49Å; L122-W198 HydrophobicContact CG-CZ3 4.39Å; G129-W198 CarbonylContact C-O 3.58Å; G129-W198 WeakPolarHBondContact CA-O 3.44Å; V130-W198 HydrophobicContact CG1-CB 4.17Å; V130-W198 HydrophobicContact CG1-CE3 4.43Å; V130-W198 PolarHBondContact N-O 3.46Å; V130-W198 PolarHBondContact O-N 3.39Å; L171-W198 HydrophobicContact CD1-CB 3.87Å; L171-W198 HydrophobicContact CD1-CG 4.21Å; L171-W198 HydrophobicContact CD2-CB 4.32Å; L171-W198 HydrophobicContact CD2-CG 4.47Å; T173-W198 HydrophobicContact CG2-CH2 4.21Å; T173-W198 HydrophobicContact CG2-CZ2 4Å; W180-W198 AromaticContact CD2-NE1 3.35Å; W180-W198 VanDerWaalsContact CD2-NE1 3.35Å; W180-W198 AromaticContact CE2-NE1 3.49Å; W180-W198 AromaticContact CE3-NE1 3.45Å; W180-W198 AromaticContact CG-NE1 3.99Å; W180-W198 AromaticContact CH2-CZ2 3.79Å; W180-W198 HydrophobicContact CH2-CZ2 3.79Å; W180-W198 AromaticContact CH2-NE1 3.9Å; W180-W198 HydrophobicContact CZ2-CZ2 4.15Å; W180-W198 AromaticContact CZ2-NE1 3.77Å; W180-W198 HydrophobicContact CZ3-CZ2 4.04Å; W180-W198 AromaticContact CZ3-NE1 3.74Å; W198-K200 HydrophobicContact CH2-CB 4.24Å; W198-K200 HydrophobicContact CZ2-CB 4.44Å; W198-G203 WeakPolarHBondContact CA-O 3.11Å |
| 199 | T | 87.6 | Confident | 84.1 | Confident | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.129 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 159.3 | 164.3 | 85.8 | 0 | 0 | 0 | 0 | 110.3 | K201 D202 G203 A259 | T199-K201 PolarHBondContact O-N 2.82Å; T199-K201 VanDerWaalsContact O-N 3.11Å; T199-K201 PolarHBondContact OG1-N 2.88Å; T199-K201 VanDerWaalsContact OG1-N 3.16Å; T199-D202 WeakPolarHBondContact OG1-CB 3.41Å; T199-D202 PolarHBondContact OG1-N 3.13Å; T199-G203 PolarHBondContact N-O 3.5Å; T199-G203 WeakPolarHBondContact O-CA 3.38Å; T199-G203 PolarHBondContact O-N 2.87Å; T199-A259 HydrophobicContact CG2-CB 3.67Å |
| 200 | K | 81.3 | Confident | 85 | Confident | 107 Ų | 107 | 37.1 Ų | 37.1 | 47% | 0.465 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -1.4 | 175.6 | -162.1 | 157.9 | -170.2 | 158.6 | 0 | 114.1 | A126 D176 W198 | A126-K200 HydrophobicContact CB-CB 4.16Å; A126-K200 HydrophobicContact CB-CD 4.16Å; D176-K200 IonicContact OD2-NZ 3.61Å; D176-K200 PolarHBondContact OD2-NZ 3.44Å; W198-K200 HydrophobicContact CH2-CB 4.24Å; W198-K200 HydrophobicContact CZ2-CB 4.44Å |
| 201 | K | 82.6 | Confident | 85.7 | Confident | 193 Ų | 193 | 33.4 Ų | 33.4 | 84% | 0.839 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -38.6 | 175.2 | -72.8 | -176.2 | 177.8 | 176.6 | 0 | 114 | T199 | T199-K201 PolarHBondContact O-N 2.82Å; T199-K201 VanDerWaalsContact O-N 3.11Å; T199-K201 PolarHBondContact OG1-N 2.88Å; T199-K201 VanDerWaalsContact OG1-N 3.16Å |
| 202 | D | 82.9 | Confident | 86.4 | Confident | 77 Ų | 77 | 36 Ų | 36 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -10.5 | -172 | -82.6 | 36.6 | 0 | 0 | 0 | 112.8 | T199 K205 | T199-D202 WeakPolarHBondContact OG1-CB 3.41Å; T199-D202 PolarHBondContact OG1-N 3.13Å; D202-K205 IonicContact OD2-NZ 2.78Å; D202-K205 PolarHBondContact OD2-NZ 3.46Å |
| 203 | G | 85.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.5 | -154.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W198 T199 D216 | W198-G203 WeakPolarHBondContact CA-O 3.11Å; T199-G203 PolarHBondContact N-O 3.5Å; T199-G203 WeakPolarHBondContact O-CA 3.38Å; T199-G203 PolarHBondContact O-N 2.87Å; G203-D216 CarbonylContact C-O 3.51Å; G203-D216 WeakPolarHBondContact CA-O 3.22Å |
| 204 | L | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.4 | 177.1 | 167.5 | 54.9 | 0 | 0 | 0 | 111 | V169 L171 W180 A182 F196 V206 S215 D216 | V169-L204 HydrophobicContact CB-CD2 4.26Å; V169-L204 HydrophobicContact CG1-CD1 4.11Å; V169-L204 HydrophobicContact CG1-CD2 4.08Å; L171-L204 HydrophobicContact CD1-CB 4.13Å; L171-L204 HydrophobicContact CD1-CD1 3.42Å; L171-L204 VanDerWaalsContact CD1-CD1 3.42Å; L171-L204 HydrophobicContact CD1-CD2 4.03Å; L171-L204 HydrophobicContact CD1-CG 4.03Å; W180-L204 HydrophobicContact CB-CB 3.78Å; W180-L204 HydrophobicContact CB-CD2 4.17Å; W180-L204 HydrophobicContact CG-CB 4.37Å; A182-L204 HydrophobicContact CB-CD2 3.78Å; A182-L204 HydrophobicContact CB-CG 4.03Å; F196-L204 HydrophobicContact CB-CD1 4.04Å; F196-L204 HydrophobicContact CD2-CD1 4.11Å; F196-L204 HydrophobicContact CG-CD1 4.46Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.48Å; L204-V206 HydrophobicContact CG-CG2 4.11Å; L204-S215 CarbonylContact O-C 3.53Å; L204-S215 WeakPolarHBondContact O-CA 3.23Å; L204-S215 WeakPolarHBondContact O-CB 3.43Å; L204-D216 PolarHBondContact N-O 2.82Å; L204-D216 PolarHBondContact O-N 2.95Å |
| 205 | K | 90.4 | Very high | 86.6 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 129 | 170.1 | -63.4 | 170.5 | -179.3 | 176.8 | 0 | 109.9 | F196 T197 D202 F207 L212 | F196-K205 CarbonylContact C-O 3.48Å; F196-K205 VanDerWaalsContact CA-O 3.27Å; F196-K205 WeakPolarHBondContact CA-O 3.17Å; F196-K205 WeakPolarHBondContact CB-O 3.29Å; T197-K205 PolarHBondContact N-O 3.15Å; T197-K205 PolarHBondContact O-N 3.44Å; D202-K205 IonicContact OD2-NZ 2.78Å; D202-K205 PolarHBondContact OD2-NZ 3.46Å; K205-F207 HydrophobicContact CB-CE2 3.91Å; K205-F207 HydrophobicContact CB-CZ 4.43Å; K205-L212 HydrophobicContact CB-CD1 3.96Å |
| 206 | V | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.5 | -175.6 | -177 | 0 | 0 | 0 | 0 | 109.9 | V169 A182 I184 F196 L204 I208 C213 G214 | V169-V206 HydrophobicContact CB-CG2 3.95Å; V169-V206 HydrophobicContact CG2-CG1 4.08Å; V169-V206 HydrophobicContact CG2-CG2 3.73Å; A182-V206 HydrophobicContact CB-CB 4.48Å; A182-V206 HydrophobicContact CB-CG2 3.62Å; I184-V206 HydrophobicContact CG1-CG1 3.95Å; F196-V206 HydrophobicContact CB-CB 4.38Å; F196-V206 HydrophobicContact CB-CG1 4.49Å; F196-V206 HydrophobicContact CB-CG2 3.94Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.48Å; L204-V206 HydrophobicContact CG-CG2 4.11Å; V206-I208 HydrophobicContact CG1-CD1 4.42Å; V206-C213 PolarHBondContact O-N 3.28Å; V206-G214 PolarHBondContact N-O 2.79Å; V206-G214 PolarHBondContact O-N 3.3Å |
| 207 | F | 89.8 | Confident | 86 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.9 | -177.9 | -59.1 | -102.7 | 0 | 0 | 0 | 109.9 | L195 T197 K205 T211 L212 P262 I265 | L195-F207 HydrophobicContact CD2-CB 4.31Å; L195-F207 HydrophobicContact CD2-CD2 3.91Å; L195-F207 HydrophobicContact CD2-CG 4.34Å; L195-F207 PolarHBondContact N-O 3.35Å; L195-F207 WeakPolarHBondContact O-CA 3.47Å; L195-F207 WeakPolarHBondContact O-CB 3.33Å; L195-F207 PolarHBondContact O-N 3.08Å; L195-F207 VanDerWaalsContact O-O 3.06Å; T197-F207 HydrophobicContact CG2-CE2 4.23Å; K205-F207 HydrophobicContact CB-CE2 3.91Å; K205-F207 HydrophobicContact CB-CZ 4.43Å; F207-T211 CarbonylContact C-O 3.55Å; F207-T211 WeakPolarHBondContact CA-O 3.42Å; F207-L212 HydrophobicContact CD1-CB 3.95Å; F207-L212 HydrophobicContact CD1-CD1 4.2Å; F207-L212 HydrophobicContact CD2-CD1 4.38Å; F207-L212 HydrophobicContact CE1-CB 3.83Å; F207-L212 HydrophobicContact CE1-CD1 3.84Å; F207-L212 HydrophobicContact CE1-CG 4.42Å; F207-L212 HydrophobicContact CE2-CD1 4.03Å; F207-L212 HydrophobicContact CG-CD1 4.45Å; F207-L212 HydrophobicContact CZ-CD1 3.74Å; F207-P262 HydrophobicContact CE1-CB 4.25Å; F207-P262 HydrophobicContact CE1-CG 4.29Å; F207-P262 HydrophobicContact CZ-CG 4.25Å; F207-I265 HydrophobicContact CB-CG2 4.19Å; F207-I265 HydrophobicContact CD1-CD1 4.18Å; F207-I265 HydrophobicContact CD1-CG2 4.04Å; F207-I265 HydrophobicContact CD2-CD1 3.78Å; F207-I265 HydrophobicContact CE1-CD1 3.94Å; F207-I265 HydrophobicContact CE2-CD1 3.52Å; F207-I265 HydrophobicContact CG-CD1 4.12Å; F207-I265 HydrophobicContact CG-CG2 4.1Å; F207-I265 HydrophobicContact CZ-CD1 3.6Å |
| 208 | I | 86.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128 | 176.7 | -57.7 | -62.5 | 0 | 0 | 0 | 108 | I184 P185 T192 H193 V194 V206 G210 T211 C213 | I184-I208 HydrophobicContact CB-CD1 4.48Å; I184-I208 HydrophobicContact CG1-CD1 4.23Å; I184-I208 HydrophobicContact CG2-CD1 3.69Å; I184-I208 HydrophobicContact CG2-CG1 4.41Å; P185-I208 HydrophobicContact CG-CG1 4.48Å; T192-I208 HydrophobicContact CG2-CG2 3.64Å; H193-I208 WeakPolarHBondContact O-CA 3.42Å; V194-I208 HydrophobicContact CB-CD1 4.28Å; V194-I208 HydrophobicContact CG1-CD1 4.08Å; V194-I208 HydrophobicContact CG2-CD1 3.87Å; V206-I208 HydrophobicContact CG1-CD1 4.42Å; I208-G210 PolarHBondContact O-N 3.12Å; I208-T211 PolarHBondContact N-O 3.16Å; I208-T211 PolarHBondContact O-N 3.28Å; I208-T211 PolarHBondContact O-OG1 3.03Å; I208-C213 HydrophobicContact CB-CB 4.22Å; I208-C213 HydrophobicContact CG1-CB 3.75Å |
| 209 | N | 85.6 | Confident | 84.6 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.4 | -177 | -67.1 | -21.7 | 0 | 0 | 0 | 112.6 | H193 T211 Y269 | H193-N209 PolarHBondContact N-OD1 3.37Å; H193-N209 PolarHBondContact O-N 2.82Å; N209-T211 VanDerWaalsContact C-N 3.25Å; N209-T211 PolarHBondContact O-N 2.87Å; N209-Y269 VanDerWaalsContact C-CD1 3.5Å; N209-Y269 VanDerWaalsContact C-CE1 3.49Å; N209-Y269 HydrophobicContact CB-CE1 4.11Å; N209-Y269 HydrophobicContact CB-CE2 4.02Å; N209-Y269 WeakPolarHBondContact CB-OH 3.34Å; N209-Y269 WeakPolarHBondContact O-CD1 3.44Å; N209-Y269 WeakPolarHBondContact O-CE1 3.49Å |
| 210 | G | 81.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | I208 | I208-G210 PolarHBondContact O-N 3.12Š|
| 211 | T | 84.7 | Confident | 83.2 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.3 | -179.3 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | F207 I208 N209 C213 | F207-T211 CarbonylContact C-O 3.55Å; F207-T211 WeakPolarHBondContact CA-O 3.42Å; I208-T211 PolarHBondContact N-O 3.16Å; I208-T211 PolarHBondContact O-N 3.28Å; I208-T211 PolarHBondContact O-OG1 3.03Å; N209-T211 VanDerWaalsContact C-N 3.25Å; N209-T211 PolarHBondContact O-N 2.87Å; T211-C213 PolarHBondContact O-N 2.8Å |
| 212 | L | 86.3 | Confident | 81.8 | Confident | 102 Ų | 102 | 45 Ų | 45 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.8 | 179.3 | -178.2 | 71.8 | 0 | 0 | 0 | 109.9 | K205 F207 | K205-L212 HydrophobicContact CB-CD1 3.96Å; F207-L212 HydrophobicContact CD1-CB 3.95Å; F207-L212 HydrophobicContact CD1-CD1 4.2Å; F207-L212 HydrophobicContact CD2-CD1 4.38Å; F207-L212 HydrophobicContact CE1-CB 3.83Å; F207-L212 HydrophobicContact CE1-CD1 3.84Å; F207-L212 HydrophobicContact CE1-CG 4.42Å; F207-L212 HydrophobicContact CE2-CD1 4.03Å; F207-L212 HydrophobicContact CG-CD1 4.45Å; F207-L212 HydrophobicContact CZ-CD1 3.74Å |
| 213 | C | 83 | Confident | 80 | Confident | 59 Ų | 59 | 50 Ų | 50 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -29.1 | -172.7 | -165.6 | 0 | 0 | 0 | 0 | 113.8 | P185 V206 I208 T211 | P185-C213 WeakPolarHBondContact CD-SG 3.46Å; V206-C213 PolarHBondContact O-N 3.28Å; I208-C213 HydrophobicContact CB-CB 4.22Å; I208-C213 HydrophobicContact CG1-CB 3.75Å; T211-C213 PolarHBondContact O-N 2.8Å |
| 214 | G | 82.3 | Confident | 78 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 157.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V206 | V206-G214 PolarHBondContact N-O 2.79Å; V206-G214 PolarHBondContact O-N 3.3Å |
| 215 | S | 86.8 | Confident | 75.5 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 145.3 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | L204 | L204-S215 CarbonylContact O-C 3.53Å; L204-S215 WeakPolarHBondContact O-CA 3.23Å; L204-S215 WeakPolarHBondContact O-CB 3.43Å |
| 216 | D | 85.7 | Confident | 73.3 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 104.3 | 170.4 | 172.4 | 6.3 | 0 | 0 | 0 | 108.3 | W180 R181 G203 L204 S218 G219 | W180-D216 WeakPolarHBondContact CA-OD2 3.08Å; R181-D216 PolarHBondContact N-OD2 3.29Å; R181-D216 WeakPolarHBondContact O-CB 3.08Å; G203-D216 CarbonylContact C-O 3.51Å; G203-D216 WeakPolarHBondContact CA-O 3.22Å; L204-D216 PolarHBondContact N-O 2.82Å; L204-D216 PolarHBondContact O-N 2.95Å; D216-S218 PolarHBondContact OD1-N 3.33Å; D216-S218 VanDerWaalsContact OD1-N 3.15Å; D216-G219 PolarHBondContact OD1-N 2.93Å; D216-G219 WeakPolarHBondContact OD2-CA 3.27Å |
| 217 | P | 82.6 | Confident | 70.9 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -78.6 | -21.6 | -175.4 | 32 | -35.1 | 0 | 0 | 0 | 113.4 | ||
| 218 | S | 76.2 | Confident | 68.8 | Low | 89 Ų | 89 | 70.1 Ų | 70.1 | 62% | 0.622 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -114.4 | -32.7 | -165.1 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | D216 | D216-S218 PolarHBondContact OD1-N 3.33Å; D216-S218 VanDerWaalsContact OD1-N 3.15Å |
| 219 | G | 75.3 | Confident | 66.6 | Low | 20 Ų | 20 | 72 Ų | 72 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | trans | 70.3 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R179 W180 D216 | R179-G219 CarbonylContact O-C 3.55Å; R179-G219 WeakPolarHBondContact O-CA 3.2Å; W180-G219 VanDerWaalsContact CD1-CA 3.46Å; W180-G219 VanDerWaalsContact CD1-N 3.33Å; D216-G219 PolarHBondContact OD1-N 2.93Å; D216-G219 WeakPolarHBondContact OD2-CA 3.27Å | ||
| 220 | S | 74.7 | Confident | 64.3 | Low | 46 Ų | 46 | 70.3 Ų | 70.3 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137.3 | -176.1 | 59 | 0 | 0 | 0 | 0 | 110.6 | R179 | R179-S220 PolarHBondContact N-O 2.83Å; R179-S220 PolarHBondContact NH2-OG 3.35Å; R179-S220 PolarHBondContact O-N 2.7Å; R179-S220 PolarHBondContact O-OG 3.08Å |
| 221 | T | 64.7 | Low | 62.3 | Low | 106 Ų | 106 | 71 Ų | 71 | 65% | 0.65 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.1 | 175 | -23.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 222 | S | 55 | Low | 60.2 | Low | 14 Ų | 14 | 66.9 Ų | 66.9 | 10% | 0.098 | 42% | 0.421 | C | S | . | . | trans | -124.5 | 128.7 | -175.1 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | K177 S224 | K177-S222 WeakPolarHBondContact CB-O 3.49Å; K177-S222 VanDerWaalsContact CD-O 3.31Å; K177-S222 WeakPolarHBondContact CD-O 3.48Å; K177-S222 PolarHBondContact O-N 3.33Å; S222-S224 PolarHBondContact OG-OG 3.49Å | ||
| 223 | E | 44.7 | Very low | 58.1 | Low | 183 Ų | 183 | 64.3 Ų | 64.3 | 86% | 0.855 | 41% | 0.405 | S | S | * | . | trans | -73.7 | -36.1 | -176.2 | -65.9 | -168.4 | 133 | 0 | 0 | 113.4 | K177 S225 | K177-E223 PolarHBondContact NZ-O 2.88Å; E223-S225 PolarHBondContact O-N 2.85Å; E223-S225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | S | 43.3 | Very low | 56.2 | Low | 91 Ų | 91 | 61.8 Ų | 61.8 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -67.3 | 108.5 | -177 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | S222 A226 | S222-S224 PolarHBondContact OG-OG 3.49Å; S224-A226 PolarHBondContact O-N 2.94Å |
| 225 | S | 36.3 | Very low | 54.2 | Low | 96 Ų | 96 | 63.2 Ų | 63.2 | 67% | 0.671 | 39% | 0.389 | S | S | * | . | trans | -69.3 | 109.4 | 171.9 | 44.5 | 0 | 0 | 0 | 0 | 110.8 | E223 D227 | E223-S225 PolarHBondContact O-N 2.85Å; E223-S225 VanDerWaalsContact O-N 3.16Å; S225-D227 PolarHBondContact O-N 2.96Å; S225-D227 VanDerWaalsContact O-N 3.17Å | ||
| 226 | A | 44 | Very low | 52 | Low | 57 Ų | 57 | 60.4 Ų | 60.4 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | trans | -80.9 | 83.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | S224 F228 | S224-A226 PolarHBondContact O-N 2.94Å; A226-F228 HydrophobicContact CB-CD2 3.96Å; A226-F228 HydrophobicContact CB-CE2 3.72Å; A226-F228 PolarHBondContact O-N 2.81Å | ||
| 227 | D | 38.6 | Very low | 49.9 | Very low | 150 Ų | 150 | 62.5 Ų | 62.5 | 80% | 0.802 | 38% | 0.378 | S | S | * | . | trans | -77.9 | 103.1 | -178.7 | -168.3 | 19.8 | 0 | 0 | 0 | 110.7 | S225 | S225-D227 PolarHBondContact O-N 2.96Å; S225-D227 VanDerWaalsContact O-N 3.17Å | ||
| 228 | F | 46 | Very low | 47.8 | Very low | 99 Ų | 99 | 61.8 Ų | 61.8 | 43% | 0.434 | 37% | 0.37 | S | S | . | . | trans | -136.1 | 146.9 | -175.4 | -64.1 | -48.7 | 0 | 0 | 0 | 111.7 | N156 A226 | N156-F228 PolarHBondContact ND2-O 3.45Å; N156-F228 WeakPolarHBondContact OD1-CB 3.48Å; N156-F228 PolarHBondContact OD1-O 3.37Å; N156-F228 VanDerWaalsContact OD1-O 3.13Å; A226-F228 HydrophobicContact CB-CD2 3.96Å; A226-F228 HydrophobicContact CB-CE2 3.72Å; A226-F228 PolarHBondContact O-N 2.81Å | ||
| 229 | G | 42 | Very low | 45.8 | Very low | 48 Ų | 48 | 63.6 Ų | 63.6 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | -82.4 | 150.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N156 D231 | N156-G229 PolarHBondContact OD1-O 3.33Å; G229-D231 PolarHBondContact O-N 3.19Å | ||
| 230 | S | 37 | Very low | 44 | Very low | 20 Ų | 20 | 72.7 Ų | 72.7 | 14% | 0.14 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -45.2 | -1.1 | -161.3 | 50.8 | 0 | 0 | 0 | 0 | 122.1 | Q115 | Q115-S230 WeakPolarHBondContact CG-OG 3.15Å; Q115-S230 PolarHBondContact NE2-OG 3.17Å; Q115-S230 VanDerWaalsContact NE2-OG 3.08Å |
| 231 | D | 38.4 | Very low | 42.1 | Very low | 23 Ų | 23 | 75.1 Ų | 75.1 | 12% | 0.123 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 172.1 | -159 | -44.2 | -29.3 | 0 | 0 | 0 | 111.8 | Y110 N113 G229 F233 | Y110-D231 HydrophobicContact CD2-CB 4.29Å; Y110-D231 HydrophobicContact CE2-CB 3.56Å; Y110-D231 WeakPolarHBondContact CE2-OD2 3.47Å; Y110-D231 PolarHBondContact OH-OD2 3.29Å; N113-D231 WeakPolarHBondContact CA-OD1 3.27Å; G229-D231 PolarHBondContact O-N 3.19Å; D231-F233 HydrophobicContact CB-CE1 4.12Å; D231-F233 HydrophobicContact CB-CE2 3.95Å; D231-F233 HydrophobicContact CB-CZ 3.64Å; D231-F233 WeakPolarHBondContact O-CD2 3.28Å |
| 232 | V | 40.8 | Very low | 40.7 | Very low | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.012 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.5 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | F111 Y114 V119 I154 | F111-V232 HydrophobicContact CB-CB 4.35Å; F111-V232 HydrophobicContact CD2-CB 4.35Å; F111-V232 HydrophobicContact CD2-CG1 4.02Å; Y114-V232 HydrophobicContact CD2-CG2 3.98Å; Y114-V232 HydrophobicContact CE2-CG2 4.35Å; V119-V232 HydrophobicContact CG1-CG2 3.98Å; I154-V232 WeakPolarHBondContact O-CG1 3.33Å |
| 233 | F | 42.9 | Very low | 39.5 | Very low | 48 Ų | 48 | 85 Ų | 85 | 21% | 0.211 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.1 | -173.1 | -49.2 | -83 | 0 | 0 | 0 | 111.9 | F108 L109 Y110 I154 D231 | F108-F233 HydrophobicContact CD1-CB 4.15Å; L109-F233 WeakPolarHBondContact O-CA 3.3Å; Y110-F233 HydrophobicContact CD2-CD1 4.3Å; Y110-F233 HydrophobicContact CD2-CE1 4.01Å; Y110-F233 HydrophobicContact CE2-CE1 4.26Å; I154-F233 CarbonylContact C-O 3.4Å; I154-F233 VanDerWaalsContact CA-O 3.32Å; I154-F233 WeakPolarHBondContact CA-O 3.42Å; I154-F233 WeakPolarHBondContact CB-O 3.36Å; I154-F233 PolarHBondContact N-O 2.91Å; I154-F233 CarbonylContact O-C 3.5Å; I154-F233 PolarHBondContact O-N 3.31Å; D231-F233 HydrophobicContact CB-CE1 4.12Å; D231-F233 HydrophobicContact CB-CE2 3.95Å; D231-F233 HydrophobicContact CB-CZ 3.64Å; D231-F233 WeakPolarHBondContact O-CD2 3.28Å |
| 234 | L | 42.5 | Very low | 39.2 | Very low | 6 Ų | 6 | 82.3 Ų | 82.3 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 155.5 | 151.1 | -92.7 | 77.2 | 0 | 0 | 0 | 110.4 | L100 F108 L109 F111 K152 V153 F250 | L100-L234 HydrophobicContact CD1-CD2 3.45Å; L100-L234 VanDerWaalsContact CD1-CD2 3.45Å; F108-L234 WeakPolarHBondContact CA-O 3.24Å; F108-L234 WeakPolarHBondContact CB-O 3.46Å; F108-L234 WeakPolarHBondContact CD1-O 3.42Å; F108-L234 VanDerWaalsContact CG-O 3.26Å; F108-L234 WeakPolarHBondContact CG-O 3.17Å; L109-L234 HydrophobicContact CB-CB 4.38Å; L109-L234 HydrophobicContact CB-CD1 4.28Å; L109-L234 HydrophobicContact CD1-CD1 4.22Å; L109-L234 HydrophobicContact CD1-CD2 4.3Å; L109-L234 PolarHBondContact O-N 3.36Å; F111-L234 HydrophobicContact CE2-CD1 4.32Å; K152-L234 CarbonylContact O-C 3.54Å; V153-L234 HydrophobicContact CB-CD1 4.23Å; V153-L234 HydrophobicContact CB-CG 4.34Å; V153-L234 HydrophobicContact CG1-CD1 3.83Å; V153-L234 HydrophobicContact CG1-CG 4.46Å; V153-L234 HydrophobicContact CG2-CD1 4.01Å; V153-L234 HydrophobicContact CG2-CD2 4.23Å; V153-L234 HydrophobicContact CG2-CG 3.96Å; L234-F250 HydrophobicContact CD2-CD2 4.12Å; L234-F250 HydrophobicContact CD2-CE2 3.82Å; L234-F250 HydrophobicContact CD2-CZ 4.14Å |
| 235 | K | 40 | Very low | 39.2 | Very low | 47 Ų | 47 | 79.6 Ų | 79.6 | 20% | 0.204 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.8 | 174 | -176.7 | 178.2 | -169.8 | -173.2 | 0 | 109 | F108 K152 I154 E237 | F108-K235 HydrophobicContact CD1-CB 4.25Å; F108-K235 HydrophobicContact CE1-CB 3.87Å; F108-K235 HydrophobicContact CE1-CD 4.11Å; F108-K235 HydrophobicContact CE1-CG 3.69Å; F108-K235 HydrophobicContact CZ-CB 4.48Å; F108-K235 HydrophobicContact CZ-CD 4.45Å; F108-K235 HydrophobicContact CZ-CG 3.91Å; K152-K235 WeakPolarHBondContact CA-O 3.27Å; K152-K235 VanDerWaalsContact CB-O 3.31Å; K152-K235 WeakPolarHBondContact CB-O 3.47Å; K152-K235 PolarHBondContact N-O 2.82Å; K152-K235 PolarHBondContact O-N 2.95Å; I154-K235 HydrophobicContact CD1-CB 3.71Å; I154-K235 HydrophobicContact CD1-CD 3.75Å; I154-K235 HydrophobicContact CD1-CG 4.35Å; I154-K235 HydrophobicContact CG1-CB 4.44Å; K235-E237 VanDerWaalsContact CE-OE1 3.27Å; K235-E237 WeakPolarHBondContact CE-OE1 3.45Å; K235-E237 IonicContact NZ-OE1 3.26Å; K235-E237 PolarHBondContact NZ-OE1 2.79Å |
| 236 | T | 42.2 | Very low | 39.5 | Very low | 11 Ų | 11 | 77.4 Ų | 77.4 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | trans | -117.6 | 123 | 161.1 | -65.4 | 0 | 0 | 0 | 0 | 107.9 | C102 A151 N238 | C102-T236 HydrophobicContact CB-CG2 3.92Å; C102-T236 PolarHBondContact SG-OG1 2.99Å; A151-T236 PolarHBondContact N-OG1 2.88Å; T236-N238 PolarHBondContact O-N 2.81Å | ||
| 237 | E | 39.9 | Very low | 39.8 | Very low | 68 Ų | 68 | 75 Ų | 75 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | trans | -90.8 | 90.9 | -165.4 | -165.6 | 118.3 | -117.5 | 0 | 0 | 110.5 | K152 K235 N239 | K152-E237 IonicContact NZ-OE2 3.19Å; K152-E237 PolarHBondContact NZ-OE2 3.16Å; K235-E237 VanDerWaalsContact CE-OE1 3.27Å; K235-E237 WeakPolarHBondContact CE-OE1 3.45Å; K235-E237 IonicContact NZ-OE1 3.26Å; K235-E237 PolarHBondContact NZ-OE1 2.79Å; E237-N239 PolarHBondContact O-N 3.07Å; E237-N239 VanDerWaalsContact O-N 3.13Å | ||
| 238 | N | 40.3 | Very low | 40.7 | Very low | 73 Ų | 73 | 68.4 Ų | 68.4 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | trans | -81.3 | 90.8 | -172 | -170.4 | -0.1 | 0 | 0 | 0 | 112.5 | N104 T236 Y245 | N104-N238 PolarHBondContact O-ND2 3.06Å; T236-N238 PolarHBondContact O-N 2.81Å; N238-Y245 PolarHBondContact ND2-OH 3.18Å; N238-Y245 PolarHBondContact OD1-OH 3.35Å | ||
| 239 | N | 34.1 | Very low | 41.6 | Very low | 127 Ų | 127 | 64 Ų | 64 | 68% | 0.679 | 32% | 0.322 | S | S | * | . | trans | -114.9 | 83.8 | 179.4 | -156.6 | 2.3 | 0 | 0 | 0 | 113.3 | E237 | E237-N239 PolarHBondContact O-N 3.07Å; E237-N239 VanDerWaalsContact O-N 3.13Å | ||
| 240 | R | 37.1 | Very low | 42.9 | Very low | 211 Ų | 211 | 62.8 Ų | 62.8 | 80% | 0.796 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 60.8 | 109.2 | 162 | -58.3 | -173.4 | -174 | -155.3 | 1 | 118.5 | H242 | R240-H242 PolarHBondContact O-N 2.99Š|
| 241 | A | 34.5 | Very low | 44.3 | Very low | 97 Ų | 97 | 62 Ų | 62 | 80% | 0.802 | 30% | 0.297 | S | S | * | . | trans | 74.8 | 25 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 242 | H | 34.8 | Very low | 45.8 | Very low | 103 Ų | 103 | 61.4 Ų | 61.4 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | trans | -119.8 | 137.5 | 163 | -63.6 | 88.3 | 0 | 0 | 0 | 110.3 | V147 R240 | V147-H242 HydrophobicContact CB-CB 4.5Å; R240-H242 PolarHBondContact O-N 2.99Å | ||
| 243 | R | 30.1 | Very low | 47.6 | Very low | 225 Ų | 225 | 62 Ų | 62 | 85% | 0.849 | 30% | 0.296 | S | S | * | . | trans | -107.4 | 13.1 | -140.8 | -142.7 | -178.2 | -167.8 | 167.7 | 4.5 | 117.2 | ||||
| 244 | H | 39.3 | Very low | 49.5 | Very low | 126 Ų | 126 | 59.8 Ų | 59.8 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | trans | -136 | 136.5 | 175.8 | -62 | -54.7 | 0 | 0 | 0 | 110.4 | A146 | A146-H244 HydrophobicContact CB-CB 4.17Å; A146-H244 WeakPolarHBondContact CB-O 3.44Å | ||
| 245 | Y | 42.5 | Very low | 51.4 | Low | 35 Ų | 35 | 59.5 Ų | 59.5 | 14% | 0.137 | 29% | 0.285 | C | S | . | . | trans | -106.6 | 141 | -179.7 | -63 | -82.8 | 0 | 0 | 0 | 110.8 | C102 D103 N104 A148 N238 T247 | C102-Y245 WeakPolarHBondContact O-CD1 3.43Å; C102-Y245 WeakPolarHBondContact O-CD2 3.23Å; D103-Y245 WeakPolarHBondContact OD1-CD2 3.22Å; N104-Y245 PolarHBondContact OD1-OH 2.83Å; A148-Y245 HydrophobicContact CB-CD1 4.5Å; A148-Y245 HydrophobicContact CB-CE1 4.33Å; N238-Y245 PolarHBondContact ND2-OH 3.18Å; N238-Y245 PolarHBondContact OD1-OH 3.35Å; Y245-T247 PolarHBondContact O-N 3.37Å | ||
| 246 | V | 43.4 | Very low | 53.7 | Low | 49 Ų | 49 | 57.3 Ų | 57.3 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | trans | -86.6 | 106.7 | -179.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | T | 48.5 | Very low | 55.8 | Low | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | trans | -76.5 | 132.9 | -175.4 | -11 | 0 | 0 | 0 | 0 | 112.5 | F99 L100 D101 Q139 Y245 | F99-T247 HydrophobicContact CD1-CG2 4.35Å; F99-T247 HydrophobicContact CE1-CG2 3.55Å; F99-T247 HydrophobicContact CE2-CG2 3.72Å; F99-T247 HydrophobicContact CZ-CG2 3.2Å; L100-T247 WeakPolarHBondContact O-CG2 3.49Å; D101-T247 HydrophobicContact CB-CG2 4.1Å; D101-T247 VanDerWaalsContact OD1-CG2 3.28Å; D101-T247 WeakPolarHBondContact OD1-CG2 3.41Å; Q139-T247 PolarHBondContact N-O 2.86Å; Q139-T247 VanDerWaalsContact N-O 3.16Å; Y245-T247 PolarHBondContact O-N 3.37Å | ||
| 248 | R | 59.3 | Low | 58.1 | Low | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.8 | -172 | -71.8 | 178.6 | 168.5 | 152.5 | 6.6 | 111.1 | L100 K137 N138 G150 A162 F250 | L100-R248 PolarHBondContact N-O 2.9Å; L100-R248 VanDerWaalsContact N-O 3.12Å; K137-R248 WeakPolarHBondContact O-CA 3.46Å; N138-R248 WeakPolarHBondContact OD1-CG 3.28Å; N138-R248 PolarHBondContact OD1-NE 3.29Å; G150-R248 PolarHBondContact O-NH1 2.84Å; A162-R248 PolarHBondContact O-NH1 3.12Å; R248-F250 HydrophobicContact CB-CE2 4.26Å |
| 249 | A | 63 | Low | 60.4 | Low | 7 Ų | 7 | 58.2 Ų | 58.2 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V90 I98 W136 K137 W191 | V90-A249 HydrophobicContact CG2-CB 3.84Å; I98-A249 CarbonylContact O-C 3.48Å; I98-A249 WeakPolarHBondContact O-CA 3.13Å; W136-A249 WeakPolarHBondContact CA-O 3.41Å; K137-A249 PolarHBondContact N-O 3.3Å; K137-A249 PolarHBondContact O-N 3.49Å; W191-A249 HydrophobicContact CH2-CB 3.73Å; W191-A249 HydrophobicContact CZ2-CB 4.42Å; W191-A249 HydrophobicContact CZ3-CB 4.31Å; W191-A249 WeakPolarHBondContact CZ3-O 3.25Å |
| 250 | F | 69.2 | Low | 63.1 | Low | 21 Ų | 21 | 52.5 Ų | 52.5 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.9 | -177.5 | -67 | -90.2 | 0 | 0 | 0 | 112.1 | G97 I98 L100 F134 F135 W136 A151 V153 L234 R248 | G97-F250 WeakPolarHBondContact CA-O 3.34Å; I98-F250 PolarHBondContact N-O 3.09Å; I98-F250 PolarHBondContact O-N 3.08Å; L100-F250 HydrophobicContact CD1-CD2 3.85Å; L100-F250 HydrophobicContact CD1-CE2 3.89Å; F134-F250 AromaticContact CD2-CD1 3.9Å; F134-F250 HydrophobicContact CD2-CD1 3.9Å; F134-F250 HydrophobicContact CD2-CE1 4.13Å; F134-F250 HydrophobicContact CE2-CD1 4.2Å; F134-F250 AromaticContact CE2-CE1 3.93Å; F134-F250 HydrophobicContact CE2-CE1 3.93Å; F135-F250 VanDerWaalsContact O-CA 3.28Å; F135-F250 WeakPolarHBondContact O-CA 3.37Å; W136-F250 HydrophobicContact CB-CD1 3.89Å; W136-F250 HydrophobicContact CB-CE1 3.8Å; W136-F250 HydrophobicContact CD2-CE1 4.46Å; W136-F250 HydrophobicContact CG-CD1 4.42Å; W136-F250 AromaticContact CG-CE1 3.92Å; W136-F250 HydrophobicContact CG-CE1 3.92Å; W136-F250 HydrophobicContact CG-CZ 4.32Å; A151-F250 HydrophobicContact CB-CE2 3.85Å; A151-F250 HydrophobicContact CB-CZ 3.85Å; V153-F250 HydrophobicContact CG2-CE1 4.22Å; V153-F250 HydrophobicContact CG2-CZ 4.47Å; L234-F250 HydrophobicContact CD2-CD2 4.12Å; L234-F250 HydrophobicContact CD2-CE2 3.82Å; L234-F250 HydrophobicContact CD2-CZ 4.14Å; R248-F250 HydrophobicContact CB-CE2 4.26Å |
| 251 | D | 67 | Low | 65.6 | Low | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 163.2 | 179.1 | -150.5 | -12.7 | 0 | 0 | 0 | 113 | G92 V93 F135 W191 | G92-D251 WeakPolarHBondContact CA-OD2 3.49Å; V93-D251 PolarHBondContact N-OD2 2.77Å; F135-D251 HydrophobicContact CB-CB 4.05Å; F135-D251 PolarHBondContact N-O 3.05Å; F135-D251 PolarHBondContact O-N 3.29Å; W191-D251 HydrophobicContact CH2-CB 3.9Å; W191-D251 HydrophobicContact CZ2-CB 4.44Å; W191-D251 HydrophobicContact CZ3-CB 3.93Å |
| 252 | E | 71.3 | Confident | 68.1 | Low | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 31.5 | 87.1 | -178.2 | -62.6 | -169.2 | 170.9 | 0 | 0 | 116.9 | Y59 H94 F134 F135 | Y59-E252 HydrophobicContact CE2-CB 4.32Å; H94-E252 IonicContact CD2-OE1 2.69Å; H94-E252 PolarHBondContact CD2-OE1 2.73Å; H94-E252 VanDerWaalsContact CD2-OE1 3.3Å; H94-E252 IonicContact NE2-OE1 2.62Å; F134-E252 WeakPolarHBondContact CA-O 3.22Å; F135-E252 HydrophobicContact CD2-CB 4.03Å; F135-E252 HydrophobicContact CD2-CG 4.48Å; F135-E252 HydrophobicContact CE2-CB 4.31Å; F135-E252 WeakPolarHBondContact CE2-OE2 3.44Å |
| 253 | F | 77.3 | Confident | 70.5 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.6 | 177.8 | -158.8 | -91.5 | 0 | 0 | 0 | 112.3 | Y59 W60 F111 S133 F134 V153 F158 I255 | Y59-F253 WeakPolarHBondContact CD2-O 3.32Å; W60-F253 HydrophobicContact CE3-CB 4.37Å; W60-F253 AromaticContact CE3-CD1 3.87Å; W60-F253 HydrophobicContact CE3-CD1 3.87Å; W60-F253 AromaticContact CZ3-CD1 3.86Å; W60-F253 HydrophobicContact CZ3-CD1 3.86Å; W60-F253 HydrophobicContact CZ3-CE1 4.43Å; W60-F253 PolarHBondContact N-O 3.26Å; W60-F253 PolarHBondContact O-N 2.99Å; F111-F253 HydrophobicContact CE1-CB 4.4Å; F111-F253 HydrophobicContact CE1-CG 4.46Å; S133-F253 WeakPolarHBondContact O-CA 3.31Å; F134-F253 HydrophobicContact CB-CD2 3.81Å; F134-F253 HydrophobicContact CB-CE2 4.3Å; F134-F253 HydrophobicContact CD1-CD2 4.19Å; F134-F253 AromaticContact CD1-CE2 3.8Å; F134-F253 HydrophobicContact CD1-CE2 3.8Å; F134-F253 HydrophobicContact CG-CD2 4.35Å; F134-F253 HydrophobicContact CG-CE2 4.39Å; V153-F253 HydrophobicContact CG1-CE2 4.49Å; F158-F253 HydrophobicContact CZ-CZ 4.45Å; F253-I255 HydrophobicContact CD1-CG1 4.21Å; F253-I255 HydrophobicContact CE1-CD1 3.95Å; F253-I255 HydrophobicContact CE1-CG1 3.68Å |
| 254 | A | 82.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 142.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L53 Y59 S133 W256 | L53-A254 HydrophobicContact CD1-CB 4.34Å; Y59-A254 HydrophobicContact CD2-CB 3.81Å; Y59-A254 HydrophobicContact CE2-CB 4.48Å; S133-A254 PolarHBondContact N-O 2.97Å; S133-A254 PolarHBondContact O-N 3.48Å; A254-W256 HydrophobicContact CB-CE3 4.47Å; A254-W256 HydrophobicContact CB-CH2 3.56Å; A254-W256 HydrophobicContact CB-CZ2 4.45Å; A254-W256 HydrophobicContact CB-CZ3 3.57Å |
| 255 | I | 82.7 | Confident | 75.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.4 | 179.2 | -48.3 | 171.3 | 0 | 0 | 0 | 110.5 | A56 S57 H58 W60 V119 T131 F132 F253 | A56-I255 CarbonylContact C-O 3.6Å; S57-I255 PolarHBondContact N-O 2.99Å; H58-I255 HydrophobicContact CB-CB 4.43Å; H58-I255 HydrophobicContact CB-CD1 4.39Å; H58-I255 PolarHBondContact N-O 3.19Å; H58-I255 PolarHBondContact O-N 2.79Å; W60-I255 HydrophobicContact CH2-CD1 4.02Å; W60-I255 HydrophobicContact CZ3-CD1 3.8Å; W60-I255 HydrophobicContact CZ3-CG1 4.11Å; V119-I255 HydrophobicContact CG1-CD1 4.28Å; V119-I255 HydrophobicContact CG2-CG2 3.98Å; T131-I255 WeakPolarHBondContact O-CA 3.49Å; F132-I255 HydrophobicContact CD1-CB 4.42Å; F132-I255 HydrophobicContact CD1-CD1 4.48Å; F132-I255 HydrophobicContact CD1-CG1 3.9Å; F132-I255 HydrophobicContact CD1-CG2 3.98Å; F132-I255 HydrophobicContact CE1-CB 4.45Å; F132-I255 HydrophobicContact CE1-CD1 4.19Å; F132-I255 HydrophobicContact CE1-CG1 4.03Å; F132-I255 HydrophobicContact CE1-CG2 3.67Å; F132-I255 HydrophobicContact CZ-CG2 4.35Å; F253-I255 HydrophobicContact CD1-CG1 4.21Å; F253-I255 HydrophobicContact CE1-CD1 3.95Å; F253-I255 HydrophobicContact CE1-CG1 3.68Å |
| 256 | W | 88.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.5 | 166.4 | -61.1 | -108.1 | 0 | 0 | 0 | 109.8 | V52 L53 T55 A56 V130 T131 A254 R258 L260 Y268 | V52-W256 HydrophobicContact CG1-CZ2 4.33Å; V52-W256 PolarHBondContact O-NE1 2.95Å; L53-W256 HydrophobicContact CD1-CH2 4.5Å; L53-W256 HydrophobicContact CD1-CZ2 4.31Å; T55-W256 VanDerWaalsContact C-CD1 3.47Å; A56-W256 VanDerWaalsContact CA-CD1 3.49Å; A56-W256 HydrophobicContact CB-CD2 4.26Å; A56-W256 HydrophobicContact CB-CZ2 4.09Å; V130-W256 WeakPolarHBondContact CA-O 3.18Å; V130-W256 WeakPolarHBondContact CG2-O 3.46Å; T131-W256 HydrophobicContact CG2-CE3 3.95Å; T131-W256 HydrophobicContact CG2-CZ3 4.4Å; T131-W256 PolarHBondContact N-O 2.93Å; T131-W256 PolarHBondContact O-N 3.26Å; A254-W256 HydrophobicContact CB-CE3 4.47Å; A254-W256 HydrophobicContact CB-CH2 3.56Å; A254-W256 HydrophobicContact CB-CZ2 4.45Å; A254-W256 HydrophobicContact CB-CZ3 3.57Å; W256-R258 HydrophobicContact CB-CG 4.15Å; W256-R258 PolarHBondContact O-N 2.7Å; W256-L260 HydrophobicContact CD2-CD1 3.93Å; W256-L260 HydrophobicContact CD2-CD2 4.34Å; W256-L260 HydrophobicContact CD2-CG 4.21Å; W256-L260 HydrophobicContact CE3-CD1 4.15Å; W256-L260 HydrophobicContact CG-CD1 4.47Å; W256-L260 HydrophobicContact CG-CD2 4.04Å; W256-L260 HydrophobicContact CG-CG 4.26Å; W256-L260 HydrophobicContact CH2-CD1 4.31Å; W256-L260 HydrophobicContact CZ2-CD1 4.07Å; W256-L260 HydrophobicContact CZ3-CD1 4.34Å; W256-Y268 AromaticContact CH2-CD1 3.97Å; W256-Y268 HydrophobicContact CH2-CD1 3.97Å; W256-Y268 AromaticContact CH2-CE1 3.7Å; W256-Y268 HydrophobicContact CH2-CE1 3.7Å; W256-Y268 HydrophobicContact CH2-CG 4.48Å; W256-Y268 HydrophobicContact CZ2-CD1 4.47Å; W256-Y268 HydrophobicContact CZ3-CE1 4.47Å |
| 257 | K | 85.6 | Confident | 79.4 | Confident | 74 Ų | 74 | 38.6 Ų | 38.6 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -77.7 | 43 | 169.6 | -63.2 | 172.4 | -179 | 173.5 | 0 | 111.8 | S57 H58 G129 | S57-K257 PolarHBondContact OG-N 2.89Å; H58-K257 WeakPolarHBondContact NE2-CE 3.31Å; H58-K257 PolarHBondContact NE2-NZ 2.94Å; H58-K257 VanDerWaalsContact NE2-NZ 3.12Å; G129-K257 CarbonylContact O-C 3.42Å |
| 258 | R | 88.8 | Confident | 81.1 | Confident | 68 Ų | 68 | 38.3 Ų | 38.3 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -162.3 | 155.7 | 173.6 | 63.7 | -179.1 | -173.1 | 87.5 | 0.3 | 109.3 | T55 D128 G129 V130 T131 W256 L260 | T55-R258 PolarHBondContact OG1-NH2 3.35Å; D128-R258 HydrophobicContact CB-CB 4.41Å; D128-R258 CarbonylContact O-C 3.54Å; D128-R258 WeakPolarHBondContact O-CA 3.19Å; G129-R258 CarbonylContact O-C 3.43Å; G129-R258 WeakPolarHBondContact O-CA 3.39Å; G129-R258 PolarHBondContact O-N 3.48Å; G129-R258 VanDerWaalsContact O-N 3.15Å; V130-R258 CarbonylContact C-O 3.47Å; T131-R258 PolarHBondContact N-O 3.05Å; T131-R258 PolarHBondContact OG1-O 2.91Å; W256-R258 HydrophobicContact CB-CG 4.15Å; W256-R258 PolarHBondContact O-N 2.7Å; R258-L260 VanDerWaalsContact CZ-CD2 3.49Å |
| 259 | A | 88.4 | Confident | 82.2 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 24% | 0.24 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 131.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | D128 T131 T199 | D128-A259 PolarHBondContact O-N 3.31Å; T131-A259 WeakPolarHBondContact OG1-CA 2.99Å; T199-A259 HydrophobicContact CG2-CB 3.67Å |
| 260 | L | 90.9 | Very high | 83 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 141 | 170.2 | -67.5 | -171.3 | 0 | 0 | 0 | 111 | V52 T131 L195 W256 R258 Q264 I265 | V52-L260 HydrophobicContact CG1-CD1 3.83Å; V52-L260 HydrophobicContact CG1-CD2 4.07Å; T131-L260 HydrophobicContact CG2-CB 4.27Å; T131-L260 HydrophobicContact CG2-CD1 4Å; T131-L260 HydrophobicContact CG2-CG 3.92Å; T131-L260 PolarHBondContact OG1-N 3.26Å; L195-L260 HydrophobicContact CD1-CD1 4.48Å; W256-L260 HydrophobicContact CD2-CD1 3.93Å; W256-L260 HydrophobicContact CD2-CD2 4.34Å; W256-L260 HydrophobicContact CD2-CG 4.21Å; W256-L260 HydrophobicContact CE3-CD1 4.15Å; W256-L260 HydrophobicContact CG-CD1 4.47Å; W256-L260 HydrophobicContact CG-CD2 4.04Å; W256-L260 HydrophobicContact CG-CG 4.26Å; W256-L260 HydrophobicContact CH2-CD1 4.31Å; W256-L260 HydrophobicContact CZ2-CD1 4.07Å; W256-L260 HydrophobicContact CZ3-CD1 4.34Å; R258-L260 VanDerWaalsContact CZ-CD2 3.49Å; L260-Q264 HydrophobicContact CB-CB 4.44Å; L260-Q264 HydrophobicContact CD2-CB 4.47Å; L260-I265 HydrophobicContact CB-CD1 4.09Å; L260-I265 HydrophobicContact CB-CG1 3.66Å; L260-I265 HydrophobicContact CD1-CG1 4.23Å |
| 261 | S | 88.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -72.2 | 151.6 | 170.7 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | R263 Q264 I265 | S261-R263 PolarHBondContact O-N 3.31Å; S261-Q264 WeakPolarHBondContact O-CA 3.3Å; S261-Q264 WeakPolarHBondContact O-CB 2.84Å; S261-Q264 PolarHBondContact O-N 3.18Å; S261-Q264 VanDerWaalsContact OG-CG 3.31Å; S261-Q264 WeakPolarHBondContact OG-CG 3.39Å; S261-Q264 PolarHBondContact OG-N 2.98Å; S261-Q264 PolarHBondContact OG-OE1 2.89Å; S261-Q264 VanDerWaalsContact OG-OE1 3.06Å; S261-I265 WeakPolarHBondContact O-CG1 3.42Å; S261-I265 PolarHBondContact O-N 2.92Å |
| 262 | P | 86.8 | Confident | 83.5 | Confident | 89 Ų | 89 | 42.7 Ų | 42.7 | 58% | 0.578 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -54 | -30.2 | 176.9 | -28.9 | 35.9 | 0 | 0 | 0 | 114.3 | F207 K266 | F207-P262 HydrophobicContact CE1-CB 4.25Å; F207-P262 HydrophobicContact CE1-CG 4.29Å; F207-P262 HydrophobicContact CZ-CG 4.25Å; P262-K266 WeakPolarHBondContact O-CB 3.44Å; P262-K266 PolarHBondContact O-N 3.08Å; P262-K266 VanDerWaalsContact O-N 3.08Å |
| 263 | R | 84.9 | Confident | 83.4 | Confident | 205 Ų | 205 | 44.6 Ų | 44.6 | 77% | 0.774 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -68.7 | -44.7 | 173.4 | -173.2 | 176.7 | 179.7 | -179.2 | -0.1 | 112 | S261 K266 L267 | S261-R263 PolarHBondContact O-N 3.31Å; R263-K266 PolarHBondContact O-N 3Å; R263-L267 HydrophobicContact CG-CD1 4.26Å; R263-L267 VanDerWaalsContact O-CG 3.27Å; R263-L267 WeakPolarHBondContact O-CG 3.42Å; R263-L267 PolarHBondContact O-N 2.88Å; R263-L267 VanDerWaalsContact O-N 3.08Å |
| 264 | Q | 87.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 25% | 0.252 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.6 | -74.5 | 171.4 | -43.9 | 0 | 0 | 111.5 | V52 L260 S261 L267 Y268 | V52-Q264 HydrophobicContact CG1-CB 4.1Å; V52-Q264 HydrophobicContact CG2-CB 3.84Å; V52-Q264 HydrophobicContact CG2-CG 3.88Å; L260-Q264 HydrophobicContact CB-CB 4.44Å; L260-Q264 HydrophobicContact CD2-CB 4.47Å; S261-Q264 WeakPolarHBondContact O-CA 3.3Å; S261-Q264 WeakPolarHBondContact O-CB 2.84Å; S261-Q264 PolarHBondContact O-N 3.18Å; S261-Q264 VanDerWaalsContact OG-CG 3.31Å; S261-Q264 WeakPolarHBondContact OG-CG 3.39Å; S261-Q264 PolarHBondContact OG-N 2.98Å; S261-Q264 PolarHBondContact OG-OE1 2.89Å; S261-Q264 VanDerWaalsContact OG-OE1 3.06Å; Q264-L267 PolarHBondContact O-N 2.9Å; Q264-Y268 WeakPolarHBondContact O-CB 3.13Å; Q264-Y268 PolarHBondContact O-N 3.26Å |
| 265 | I | 88.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -49.6 | 176.2 | -68.6 | 167 | 0 | 0 | 0 | 111 | L195 T197 F207 L260 S261 L267 Y268 Y269 | L195-I265 HydrophobicContact CD1-CG1 4.21Å; L195-I265 HydrophobicContact CD1-CG2 4.21Å; L195-I265 HydrophobicContact CD2-CB 4.48Å; L195-I265 HydrophobicContact CD2-CD1 3.57Å; L195-I265 HydrophobicContact CD2-CG1 3.68Å; L195-I265 HydrophobicContact CD2-CG2 4.01Å; T197-I265 HydrophobicContact CG2-CD1 3.92Å; F207-I265 HydrophobicContact CB-CG2 4.19Å; F207-I265 HydrophobicContact CD1-CD1 4.18Å; F207-I265 HydrophobicContact CD1-CG2 4.04Å; F207-I265 HydrophobicContact CD2-CD1 3.78Å; F207-I265 HydrophobicContact CE1-CD1 3.94Å; F207-I265 HydrophobicContact CE2-CD1 3.52Å; F207-I265 HydrophobicContact CG-CD1 4.12Å; F207-I265 HydrophobicContact CG-CG2 4.1Å; F207-I265 HydrophobicContact CZ-CD1 3.6Å; L260-I265 HydrophobicContact CB-CD1 4.09Å; L260-I265 HydrophobicContact CB-CG1 3.66Å; L260-I265 HydrophobicContact CD1-CG1 4.23Å; S261-I265 WeakPolarHBondContact O-CG1 3.42Å; S261-I265 PolarHBondContact O-N 2.92Å; I265-L267 PolarHBondContact O-N 3.02Å; I265-Y268 PolarHBondContact O-N 3.24Å; I265-Y269 WeakPolarHBondContact O-CB 3.5Å; I265-Y269 PolarHBondContact O-N 2.8Å |
| 266 | K | 84.5 | Confident | 79 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 179.6 | -173.1 | 170.9 | -177.6 | 173.8 | 0 | 113.3 | P262 R263 R270 | P262-K266 WeakPolarHBondContact O-CB 3.44Å; P262-K266 PolarHBondContact O-N 3.08Å; P262-K266 VanDerWaalsContact O-N 3.08Å; R263-K266 PolarHBondContact O-N 3Å; K266-R270 WeakPolarHBondContact O-CG 3.19Å; K266-R270 PolarHBondContact O-N 3.15Å |
| 267 | L | 82.4 | Confident | 76.6 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.4 | -46.6 | 174.5 | -71 | 171.2 | 0 | 0 | 0 | 111.3 | A48 G49 R263 Q264 I265 R270 A271 | A48-L267 HydrophobicContact CB-CD1 4.15Å; A48-L267 HydrophobicContact CB-CD2 4.08Å; G49-L267 VanDerWaalsContact CA-C 3.42Å; G49-L267 VanDerWaalsContact CA-O 3.24Å; G49-L267 WeakPolarHBondContact CA-O 3.27Å; R263-L267 HydrophobicContact CG-CD1 4.26Å; R263-L267 VanDerWaalsContact O-CG 3.27Å; R263-L267 WeakPolarHBondContact O-CG 3.42Å; R263-L267 PolarHBondContact O-N 2.88Å; R263-L267 VanDerWaalsContact O-N 3.08Å; Q264-L267 PolarHBondContact O-N 2.9Å; I265-L267 PolarHBondContact O-N 3.02Å; L267-R270 PolarHBondContact O-N 3.14Å; L267-A271 PolarHBondContact O-N 1.9Å |
| 268 | Y | 84.7 | Confident | 74 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -49 | 176.4 | 165 | -122.2 | 0 | 0 | 0 | 112 | L53 S133 H193 L195 W256 Q264 I265 R270 A271 A272 | L53-Y268 HydrophobicContact CB-CD2 4.19Å; L53-Y268 HydrophobicContact CB-CE2 4.38Å; L53-Y268 HydrophobicContact CD1-CD2 4.43Å; L53-Y268 HydrophobicContact CD1-CE2 3.85Å; L53-Y268 HydrophobicContact CD2-CE2 4.33Å; L53-Y268 HydrophobicContact CG-CE2 4.42Å; S133-Y268 VanDerWaalsContact OG-CE1 3.3Å; S133-Y268 WeakPolarHBondContact OG-CE1 3.32Å; S133-Y268 PolarHBondContact OG-OH 3.12Å; H193-Y268 AromaticContact CE1-CE1 3.85Å; H193-Y268 AromaticContact NE2-CE1 3.61Å; L195-Y268 HydrophobicContact CD1-CD1 3.92Å; L195-Y268 HydrophobicContact CD1-CE1 4.03Å; W256-Y268 AromaticContact CH2-CD1 3.97Å; W256-Y268 HydrophobicContact CH2-CD1 3.97Å; W256-Y268 AromaticContact CH2-CE1 3.7Å; W256-Y268 HydrophobicContact CH2-CE1 3.7Å; W256-Y268 HydrophobicContact CH2-CG 4.48Å; W256-Y268 HydrophobicContact CZ2-CD1 4.47Å; W256-Y268 HydrophobicContact CZ3-CE1 4.47Å; Q264-Y268 WeakPolarHBondContact O-CB 3.13Å; Q264-Y268 PolarHBondContact O-N 3.26Å; I265-Y268 PolarHBondContact O-N 3.24Å; Y268-R270 VanDerWaalsContact C-N 3.32Å; Y268-R270 PolarHBondContact O-N 2.89Å; Y268-A271 WeakPolarHBondContact O-CB 3.43Å; Y268-A271 PolarHBondContact O-N 2.89Å; Y268-A271 VanDerWaalsContact O-N 3.07Å; Y268-A272 HydrophobicContact CD2-CB 4.44Å; Y268-A272 HydrophobicContact CE2-CB 3.91Å; Y268-A272 WeakPolarHBondContact O-CB 3.45Å; Y268-A272 PolarHBondContact O-N 2.78Å |
| 269 | Y | 82.8 | Confident | 71 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 16% | 0.157 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56 | -43.6 | 178.2 | 171.8 | -111 | 0 | 0 | 0 | 112.8 | H193 N209 I265 A271 A272 V273 | H193-Y269 HydrophobicContact CB-CD2 3.59Å; H193-Y269 HydrophobicContact CB-CE2 3.52Å; H193-Y269 AromaticContact CG-CD2 3.6Å; H193-Y269 AromaticContact ND1-CD2 3.42Å; H193-Y269 WeakPolarHBondContact ND1-CD2 3.46Å; N209-Y269 VanDerWaalsContact C-CD1 3.5Å; N209-Y269 VanDerWaalsContact C-CE1 3.49Å; N209-Y269 HydrophobicContact CB-CE1 4.11Å; N209-Y269 HydrophobicContact CB-CE2 4.02Å; N209-Y269 WeakPolarHBondContact CB-OH 3.34Å; N209-Y269 WeakPolarHBondContact O-CD1 3.44Å; N209-Y269 WeakPolarHBondContact O-CE1 3.49Å; I265-Y269 WeakPolarHBondContact O-CB 3.5Å; I265-Y269 PolarHBondContact O-N 2.8Å; Y269-A271 PolarHBondContact O-N 2.87Å; Y269-A272 PolarHBondContact O-N 3.03Å; Y269-V273 HydrophobicContact CD2-CG2 3.91Å; Y269-V273 HydrophobicContact CE2-CG2 3.38Å; Y269-V273 WeakPolarHBondContact O-CG2 3.33Å; Y269-V273 PolarHBondContact O-N 2.87Å |
| 270 | R | 79.9 | Confident | 68 | Low | 76 Ų | 76 | 70.9 Ų | 70.9 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.5 | -80.8 | 171 | 157.7 | -171.6 | -16.6 | 112.5 | K266 L267 Y268 V273 G274 Q275 E277 | K266-R270 WeakPolarHBondContact O-CG 3.19Å; K266-R270 PolarHBondContact O-N 3.15Å; L267-R270 PolarHBondContact O-N 3.14Å; Y268-R270 VanDerWaalsContact C-N 3.32Å; Y268-R270 PolarHBondContact O-N 2.89Å; R270-V273 PolarHBondContact O-N 2.88Å; R270-G274 PolarHBondContact O-N 3.48Å; R270-Q275 HydrophobicContact CB-CB 4.4Å; R270-Q275 HydrophobicContact CG-CB 4.5Å; R270-Q275 PolarHBondContact O-N 2.82Å; R270-E277 IonicContact CZ-OE1 2.88Å; R270-E277 IonicContact NH1-OE1 3.76Å; R270-E277 PolarHBondContact NH1-OE1 2.95Å; R270-E277 IonicContact NH2-OE1 2.61Å |
| 271 | A | 74 | Confident | 64.9 | Low | 14 Ų | 14 | 76.3 Ų | 76.3 | 12% | 0.116 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H47 L50 L267 Y268 Y269 V273 G274 | H47-A271 VanDerWaalsContact ND1-CB 3.26Å; H47-A271 WeakPolarHBondContact ND1-CB 3.1Å; L50-A271 HydrophobicContact CG-CB 4.32Å; L267-A271 PolarHBondContact O-N 1.9Å; Y268-A271 WeakPolarHBondContact O-CB 3.43Å; Y268-A271 PolarHBondContact O-N 2.89Å; Y268-A271 VanDerWaalsContact O-N 3.07Å; Y269-A271 PolarHBondContact O-N 2.87Å; A271-V273 VanDerWaalsContact C-N 3.25Å; A271-V273 PolarHBondContact O-N 2.88Å; A271-G274 PolarHBondContact O-N 2.86Å |
| 272 | A | 71.3 | Confident | 61.8 | Low | 6 Ų | 6 | 80 Ų | 80 | 5% | 0.05 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.6 | -24.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H94 F135 Y268 Y269 | H94-A272 PolarHBondContact NE2-O 2.79Å; F135-A272 HydrophobicContact CE2-CB 3.92Å; F135-A272 HydrophobicContact CZ-CB 3.81Å; Y268-A272 HydrophobicContact CD2-CB 4.44Å; Y268-A272 HydrophobicContact CE2-CB 3.91Å; Y268-A272 WeakPolarHBondContact O-CB 3.45Å; Y268-A272 PolarHBondContact O-N 2.78Å; Y269-A272 PolarHBondContact O-N 3.03Å |
| 273 | V | 70.4 | Confident | 58.9 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 30% | 0.303 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 7.9 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | F135 Y269 R270 A271 Q275 | F135-V273 HydrophobicContact CE1-CG2 3.83Å; F135-V273 HydrophobicContact CZ-CG2 3.88Å; Y269-V273 HydrophobicContact CD2-CG2 3.91Å; Y269-V273 HydrophobicContact CE2-CG2 3.38Å; Y269-V273 WeakPolarHBondContact O-CG2 3.33Å; Y269-V273 PolarHBondContact O-N 2.87Å; R270-V273 PolarHBondContact O-N 2.88Å; A271-V273 VanDerWaalsContact C-N 3.25Å; A271-V273 PolarHBondContact O-N 2.88Å; V273-Q275 HydrophobicContact CG1-CG 4.35Å; V273-Q275 PolarHBondContact O-N 2.83Å |
| 274 | G | 57.8 | Low | 56 | Low | 51 Ų | 51 | 78.2 Ų | 78.2 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 24.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R270 A271 D276 | R270-G274 PolarHBondContact O-N 3.48Å; A271-G274 PolarHBondContact O-N 2.86Å; G274-D276 PolarHBondContact O-N 2.82Å |
| 275 | Q | 53.7 | Low | 53 | Low | 101 Ų | 101 | 84 Ų | 84 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | trans | -87.7 | 96.8 | 175.8 | -70.3 | -169.2 | -11.1 | 0 | 0 | 110.8 | R270 V273 | R270-Q275 HydrophobicContact CB-CB 4.4Å; R270-Q275 HydrophobicContact CG-CB 4.5Å; R270-Q275 PolarHBondContact O-N 2.82Å; V273-Q275 HydrophobicContact CG1-CG 4.35Å; V273-Q275 PolarHBondContact O-N 2.83Å | ||
| 276 | D | 39 | Very low | 49.8 | Very low | 123 Ų | 123 | 88.3 Ų | 88.3 | 66% | 0.658 | 53% | 0.525 | S | S | * | . | trans | -51.4 | 152.5 | 161 | -69.1 | -39.7 | 0 | 0 | 0 | 111.1 | G274 V278 | G274-D276 PolarHBondContact O-N 2.82Å; D276-V278 HydrophobicContact CB-CG2 4.46Å; D276-V278 PolarHBondContact O-N 3.03Å | ||
| 277 | E | 37 | Very low | 47 | Very low | 134 Ų | 134 | 90.8 Ų | 90.8 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | trans | -75.3 | 63.8 | 169.7 | -70.4 | -145.1 | 111 | 0 | 0 | 112.3 | R270 S279 | R270-E277 IonicContact CZ-OE1 2.88Å; R270-E277 IonicContact NH1-OE1 3.76Å; R270-E277 PolarHBondContact NH1-OE1 2.95Å; R270-E277 IonicContact NH2-OE1 2.61Å; E277-S279 PolarHBondContact O-N 3Å; E277-S279 VanDerWaalsContact O-N 3.12Å | ||
| 278 | V | 31.2 | Very low | 44.2 | Very low | 124 Ų | 124 | 95.8 Ų | 95.8 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | trans | -58.2 | 115.9 | 159.9 | -179 | 0 | 0 | 0 | 0 | 107.7 | D276 A280 | D276-V278 HydrophobicContact CB-CG2 4.46Å; D276-V278 PolarHBondContact O-N 3.03Å; V278-A280 PolarHBondContact O-N 2.9Å | ||
| 279 | S | 26.6 | Very low | 41.3 | Very low | 103 Ų | 103 | 103 Ų | 103 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | trans | -58.5 | 129.7 | 178.1 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | E277 T281 | E277-S279 PolarHBondContact O-N 3Å; E277-S279 VanDerWaalsContact O-N 3.12Å; S279-T281 PolarHBondContact O-N 2.85Å; S279-T281 VanDerWaalsContact O-N 3.08Å | ||
| 280 | A | 24.9 | Very low | 38.3 | Very low | 104 Ų | 104 | 105.7 Ų | 105.7 | 86% | 0.86 | 64% | 0.638 | S | S | * | * | trans | -71 | 105.9 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V278 | V278-A280 PolarHBondContact O-N 2.9Š| ||
| 281 | T | 25.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 108 Ų | 108 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | trans | -139 | 117 | 166.5 | 50.7 | 0 | 0 | 0 | 0 | 113 | S279 | S279-T281 PolarHBondContact O-N 2.85Å; S279-T281 VanDerWaalsContact O-N 3.08Å | ||
| 282 | T | 24.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | trans | 80.8 | 111.7 | 145.6 | -46 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 283 | H | 25.1 | Very low | 30.8 | Very low | 191 Ų | 191 | 117.4 Ų | 117.4 | 88% | 0.884 | 73% | 0.726 | S | S | * | * | trans | 9.9 | 142.9 | 147.8 | -66.6 | -92.9 | 0 | 0 | 0 | 122 | ||||
| 284 | G | 23.7 | Very low | 28.5 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | 150.3 | 86.4 | 120.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 285 | N | 24.6 | Very low | 26.8 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | trans | 62.8 | 167.9 | 149 | -59.8 | -3.7 | 0 | 0 | 0 | 119.8 | ||||
| 286 | A | 22.8 | Very low | 25.3 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -133.7 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 287 | L | 25.8 | Very low | 24.5 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -162.1 | 160.1 | 141.2 | -135.7 | 74.9 | 0 | 0 | 0 | 112.2 | ||||
| 288 | D | 22 | Very low | 23.7 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -80.4 | 170.9 | -179.1 | -46.9 | -94.5 | 0 | 0 | 0 | 114.6 | ||||
| 289 | V | 24 | Very low | 23.2 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | trans | -166.1 | 159.5 | 130.3 | 137.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 290 | S | 20.6 | Very low | 23 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -143 | 166.4 | -160 | -170 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 291 | T | 22 | Very low | 22.7 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 63.2 | 161.2 | 164.6 | 42.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 292 | T | 22.1 | Very low | 22.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | cis | -159.7 | 143.8 | -2.7 | 16.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 293 | A | 22.7 | Very low | 22.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 80.9 | 106.2 | 52.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 294 | A | 22.5 | Very low | 23.3 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -168.8 | 133.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 295 | T | 21.9 | Very low | 23.2 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | 69.1 | 136.9 | 57.6 | 50.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 296 | S | 22.3 | Very low | 23.1 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | cis | -174.2 | 164.1 | -2 | 55.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 297 | R | 22.3 | Very low | 23 | Very low | 233 Ų | 233 | 129.2 Ų | 129.2 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | 69.8 | 166 | 149.1 | -75.3 | 164.6 | 177.7 | 157.2 | -1.9 | 119.9 | ||||
| 298 | A | 20.4 | Very low | 22.8 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 52% | 0.521 | 76% | 0.758 | S | S | . | * | cis | -178.7 | -179.3 | -31.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 299 | F | 21.3 | Very low | 22.9 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 82 | 135.6 | 175.8 | -50.4 | -72.5 | 0 | 0 | 0 | 117.9 | ||||
| 300 | E | 21.1 | Very low | 22.8 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | cis | 103.7 | 139 | 13.8 | -63.4 | 146.7 | -115.6 | 0 | 0 | 113.9 | ||||
| 301 | T | 19.6 | Very low | 23 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | cis | -163.1 | 142.7 | 7 | 2.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 302 | S | 20.1 | Very low | 23 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 83.9 | 161.2 | 135.1 | 80.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 303 | P | 32 | Very low | 23.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -110.3 | -149.1 | -165.8 | 46.6 | -35.9 | 0 | 0 | 0 | 112.9 | ||||
| 304 | P | 35 | Very low | 23.1 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -140.3 | -169.4 | -4.2 | 44.2 | -24.5 | 0 | 0 | 0 | 117 | ||||
| 305 | V | 22.1 | Very low | 23.1 | Very low | 148 Ų | 148 | 138 Ų | 138 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -162.8 | 164.8 | 151.5 | 133.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 306 | I | 22.1 | Very low | 23.1 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -135.6 | 144.2 | -159.5 | -62.5 | 165 | 0 | 0 | 0 | 114.4 | ||||
| 307 | S | 22 | Very low | 23.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 158.9 | 160.6 | 147.7 | 45.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 308 | G | 21.4 | Very low | 23.3 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 160.3 | 115.3 | -15.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 309 | H | 23.3 | Very low | 23.7 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 63.6 | 166 | 172.5 | -62.8 | -42.8 | 0 | 0 | 0 | 117.5 | ||||
| 310 | Q | 22 | Very low | 24.3 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | -150.5 | -177.2 | 5.1 | -145.6 | 162.1 | -27.7 | 0 | 0 | 113.3 | ||||
| 311 | E | 24.2 | Very low | 24.9 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -91.3 | 159.8 | -171.6 | -53.1 | 157.3 | 110.1 | 0 | 0 | 116.1 | ||||
| 312 | V | 22.1 | Very low | 25.8 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -144.8 | 144.6 | 151.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 313 | V | 25.1 | Very low | 27 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -125.9 | 141.7 | -179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 314 | Q | 22.3 | Very low | 27.7 | Very low | 195 Ų | 195 | 125 Ų | 125 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | -154 | 164.1 | 157.4 | -116.1 | 171.7 | 14.5 | 0 | 0 | 111.9 | ||||
| 315 | S | 23 | Very low | 28.2 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -137.1 | 161.7 | -155.8 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 316 | S | 21.8 | Very low | 29.5 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | -151.8 | 161.1 | 159.4 | 62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 317 | Q | 27 | Very low | 31 | Very low | 202 Ų | 202 | 116.6 Ų | 116.6 | 94% | 0.944 | 67% | 0.673 | S | S | * | * | trans | -113.3 | 136.2 | -174.5 | -76.7 | -173.5 | -20.1 | 0 | 0 | 113.1 | ||||
| 318 | G | 22.4 | Very low | 32.5 | Very low | 56 Ų | 56 | 113.7 Ų | 113.7 | 58% | 0.577 | 65% | 0.647 | S | S | * | * | trans | -125.2 | 179.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S320 | G318-S320 PolarHBondContact O-N 3.35Š| ||
| 319 | P | 28.8 | Very low | 33.8 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 81% | 0.805 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -68.2 | 106.6 | -168.2 | 25.7 | -34.2 | 0 | 0 | 0 | 114.1 | T321 | P319-T321 PolarHBondContact O-N 2.92Š|
| 320 | S | 32.3 | Very low | 35.2 | Very low | 96 Ų | 96 | 109.7 Ų | 109.7 | 67% | 0.671 | 63% | 0.634 | S | S | * | * | trans | 51.2 | 43.4 | 155.3 | 58.5 | 0 | 0 | 0 | 0 | 118.5 | G318 K322 | G318-S320 PolarHBondContact O-N 3.35Å; S320-K322 PolarHBondContact O-N 3.2Å | ||
| 321 | T | 34.6 | Very low | 37 | Very low | 90 Ų | 90 | 102.6 Ų | 102.6 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -66.1 | 11.4 | 157.3 | 36.5 | 0 | 0 | 0 | 0 | 114 | P319 V324 L325 | P319-T321 PolarHBondContact O-N 2.92Å; T321-V324 PolarHBondContact O-N 3.49Å; T321-V324 VanDerWaalsContact O-N 3.09Å; T321-L325 PolarHBondContact O-N 3.08Å | ||
| 322 | K | 37.8 | Very low | 38.6 | Very low | 144 Ų | 144 | 97 Ų | 97 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -44.7 | -57.2 | -174.7 | -72.8 | -167.8 | 175.4 | -171.5 | 0 | 114.7 | S320 V324 L325 D326 | S320-K322 PolarHBondContact O-N 3.2Å; K322-V324 PolarHBondContact O-N 2.84Å; K322-V324 VanDerWaalsContact O-N 3.1Å; K322-L325 PolarHBondContact O-N 2.98Å; K322-L325 VanDerWaalsContact O-N 3.1Å; K322-D326 VanDerWaalsContact O-CB 3.23Å; K322-D326 WeakPolarHBondContact O-CB 3.36Å; K322-D326 PolarHBondContact O-N 3.38Å; K322-D326 VanDerWaalsContact O-OD2 3.12Å |
| 323 | P | 44.8 | Very low | 40.5 | Very low | 66 Ų | 66 | 96.3 Ų | 96.3 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.1 | -31.7 | -176.1 | 23.3 | -34.3 | 0 | 0 | 0 | 113.6 | F327 V355 | P323-F327 WeakPolarHBondContact O-CB 3.37Å; P323-F327 PolarHBondContact O-N 3.09Å; P323-V355 HydrophobicContact CG-CG2 4.44Å |
| 324 | V | 48.4 | Very low | 42.3 | Very low | 9 Ų | 9 | 100.5 Ų | 100.5 | 6% | 0.055 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -81 | -38.3 | 178.6 | 178 | 0 | 0 | 0 | 0 | 111.4 | T321 K322 F327 L328 F348 V355 T375 | T321-V324 PolarHBondContact O-N 3.49Å; T321-V324 VanDerWaalsContact O-N 3.09Å; K322-V324 PolarHBondContact O-N 2.84Å; K322-V324 VanDerWaalsContact O-N 3.1Å; V324-F327 PolarHBondContact O-N 2.99Å; V324-L328 PolarHBondContact O-N 3.01Å; V324-F348 HydrophobicContact CG1-CE2 4.23Å; V324-V355 HydrophobicContact CG2-CG2 4.47Å; V324-T375 HydrophobicContact CG1-CG2 3.41Å; V324-T375 VanDerWaalsContact CG1-CG2 3.41Å |
| 325 | L | 45 | Very low | 44.6 | Very low | 106 Ų | 106 | 95.7 Ų | 95.7 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.4 | -37.2 | 177.8 | -166.8 | 68.4 | 0 | 0 | 0 | 112.3 | T321 K322 F327 L328 S329 | T321-L325 PolarHBondContact O-N 3.08Å; K322-L325 PolarHBondContact O-N 2.98Å; K322-L325 VanDerWaalsContact O-N 3.1Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-L328 HydrophobicContact CD1-CD1 4.26Å; L325-L328 WeakPolarHBondContact O-CB 3.41Å; L325-L328 PolarHBondContact O-N 3Å; L325-S329 PolarHBondContact O-N 3.48Å |
| 326 | D | 48.2 | Very low | 47 | Very low | 93 Ų | 93 | 90.2 Ų | 90.2 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 172.2 | -64.2 | -26.8 | 0 | 0 | 0 | 109.4 | K322 S329 A330 | K322-D326 VanDerWaalsContact O-CB 3.23Å; K322-D326 WeakPolarHBondContact O-CB 3.36Å; K322-D326 PolarHBondContact O-N 3.38Å; K322-D326 VanDerWaalsContact O-OD2 3.12Å; D326-S329 PolarHBondContact O-N 3.43Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.89Å; D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.5Å |
| 327 | F | 54.1 | Low | 49.4 | Very low | 37 Ų | 37 | 86.6 Ų | 86.6 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 172.7 | -167.8 | -87.3 | 0 | 0 | 0 | 112.5 | P323 V324 L325 S329 A330 L331 L344 F348 V379 M383 | P323-F327 WeakPolarHBondContact O-CB 3.37Å; P323-F327 PolarHBondContact O-N 3.09Å; V324-F327 PolarHBondContact O-N 2.99Å; L325-F327 VanDerWaalsContact C-N 3.33Å; F327-S329 VanDerWaalsContact C-N 3.25Å; F327-S329 PolarHBondContact O-N 2.96Å; F327-A330 PolarHBondContact O-N 2.92Å; F327-L331 HydrophobicContact CD1-CD2 4.46Å; F327-L331 HydrophobicContact CD1-CG 4.41Å; F327-L331 HydrophobicContact CE1-CD2 3.87Å; F327-L331 HydrophobicContact CE1-CG 4.31Å; F327-L331 PolarHBondContact O-N 2.72Å; F327-L344 HydrophobicContact CE2-CD2 4.24Å; F327-L344 HydrophobicContact CZ-CB 4.39Å; F327-L344 HydrophobicContact CZ-CD2 4.27Å; F327-F348 HydrophobicContact CD1-CB 4.5Å; F327-F348 AromaticContact CD1-CD2 3.54Å; F327-F348 HydrophobicContact CD1-CD2 3.54Å; F327-F348 HydrophobicContact CD1-CE2 4.15Å; F327-F348 HydrophobicContact CD1-CG 4.3Å; F327-F348 HydrophobicContact CE1-CB 3.89Å; F327-F348 AromaticContact CE1-CD2 3.7Å; F327-F348 HydrophobicContact CE1-CD2 3.7Å; F327-F348 AromaticContact CE1-CG 3.99Å; F327-F348 HydrophobicContact CE1-CG 3.99Å; F327-F348 HydrophobicContact CE2-CB 4.12Å; F327-F348 AromaticContact CG-CD2 3.98Å; F327-F348 HydrophobicContact CG-CD2 3.98Å; F327-F348 HydrophobicContact CZ-CB 3.69Å; F327-F348 HydrophobicContact CZ-CD2 4.27Å; F327-F348 HydrophobicContact CZ-CG 4.3Å; F327-V379 HydrophobicContact CD1-CG1 4.32Å; F327-V379 HydrophobicContact CE1-CG1 3.87Å; F327-M383 HydrophobicContact CE1-CE 3.86Å; F327-M383 HydrophobicContact CZ-CE 3.83Å |
| 328 | L | 52.9 | Low | 51.4 | Low | 61 Ų | 61 | 82 Ų | 82 | 32% | 0.319 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.7 | -38.8 | 172.8 | -80.8 | 165 | 0 | 0 | 0 | 112.1 | V324 L325 A330 L331 T375 I378 V379 | V324-L328 PolarHBondContact O-N 3.01Å; L325-L328 HydrophobicContact CD1-CD1 4.26Å; L325-L328 WeakPolarHBondContact O-CB 3.41Å; L325-L328 PolarHBondContact O-N 3Å; L328-A330 VanDerWaalsContact C-N 3.34Å; L328-L331 HydrophobicContact CD2-CD1 4.08Å; L328-T375 HydrophobicContact CD1-CG2 4.09Å; L328-I378 HydrophobicContact CD2-CG2 4.46Å; L328-V379 HydrophobicContact CD2-CG2 3.57Å; L328-V379 HydrophobicContact CG-CG2 4.13Å |
| 329 | S | 50.3 | Low | 53.7 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 70% | 0.699 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -73.5 | -22.5 | 175.8 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | L325 D326 F327 | L325-S329 PolarHBondContact O-N 3.48Å; D326-S329 PolarHBondContact O-N 3.43Å; D326-S329 VanDerWaalsContact O-N 3.15Å; D326-S329 PolarHBondContact O-OG 2.89Å; F327-S329 VanDerWaalsContact C-N 3.25Å; F327-S329 PolarHBondContact O-N 2.96Å |
| 330 | A | 52.1 | Low | 55.9 | Low | 72 Ų | 72 | 82.5 Ų | 82.5 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -92.2 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D326 F327 L328 P332 | D326-A330 WeakPolarHBondContact O-CB 3.47Å; D326-A330 PolarHBondContact O-N 3.5Å; F327-A330 PolarHBondContact O-N 2.92Å; L328-A330 VanDerWaalsContact C-N 3.34Å; A330-P332 WeakPolarHBondContact O-CD 3.35Å |
| 331 | L | 60.1 | Low | 58 | Low | 24 Ų | 24 | 78 Ų | 78 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -60.5 | 125.9 | -179.5 | -83 | 167.9 | 0 | 0 | 0 | 111.8 | F327 L328 N333 H382 M383 | F327-L331 HydrophobicContact CD1-CD2 4.46Å; F327-L331 HydrophobicContact CD1-CG 4.41Å; F327-L331 HydrophobicContact CE1-CD2 3.87Å; F327-L331 HydrophobicContact CE1-CG 4.31Å; F327-L331 PolarHBondContact O-N 2.72Å; L328-L331 HydrophobicContact CD2-CD1 4.08Å; L331-N333 PolarHBondContact O-N 2.78Å; L331-H382 HydrophobicContact CD1-CB 4.41Å; L331-M383 HydrophobicContact CD2-CE 3.52Å; L331-M383 HydrophobicContact CD2-SD 3.98Å |
| 332 | P | 58.6 | Low | 60 | Low | 50 Ų | 50 | 75.6 Ų | 75.6 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | trans | -62 | 123.8 | 178.1 | -23.8 | 33.8 | 0 | 0 | 0 | 112.3 | A330 R334 I336 | A330-P332 WeakPolarHBondContact O-CD 3.35Å; P332-R334 PolarHBondContact O-N 3.05Å; P332-I336 HydrophobicContact CB-CD1 4.29Å; P332-I336 HydrophobicContact CB-CG1 4.09Å; P332-I336 HydrophobicContact CG-CD1 4.24Å; P332-I336 HydrophobicContact CG-CG1 4.32Å | ||
| 333 | N | 60.7 | Low | 62 | Low | 133 Ų | 133 | 73.2 Ų | 73.2 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -77.5 | -13.8 | 172.6 | -158.8 | -1.8 | 0 | 0 | 0 | 112.2 | L331 K386 | L331-N333 PolarHBondContact O-N 2.78Å; N333-K386 PolarHBondContact O-NZ 3.09Å; N333-K386 PolarHBondContact OD1-NZ 3.11Å |
| 334 | R | 63.8 | Low | 63.6 | Low | 213 Ų | 213 | 72.5 Ų | 72.5 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -82.2 | 171.8 | 172.6 | -64.2 | -175 | 179.3 | -174.1 | -0 | 111.2 | P332 | P332-R334 PolarHBondContact O-N 3.05Š|
| 335 | T | 69.6 | Low | 65.2 | Low | 93 Ų | 93 | 72.1 Ų | 72.1 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | trans | -62.6 | 142.2 | 173.3 | 54 | 0 | 0 | 0 | 0 | 111.2 | K386 E388 | T335-K386 WeakPolarHBondContact CA-O 3.47Å; T335-E388 HydrophobicContact CG2-CG 4.49Å; T335-E388 PolarHBondContact OG1-OE1 3.17Å | ||
| 336 | I | 73.8 | Confident | 66.9 | Low | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 117.8 | -176.3 | -55.2 | 177.9 | 0 | 0 | 0 | 109.5 | P332 A340 A341 L344 M383 K386 E388 | P332-I336 HydrophobicContact CB-CD1 4.29Å; P332-I336 HydrophobicContact CB-CG1 4.09Å; P332-I336 HydrophobicContact CG-CD1 4.24Å; P332-I336 HydrophobicContact CG-CG1 4.32Å; I336-A340 HydrophobicContact CG2-CB 3.98Å; I336-A341 HydrophobicContact CG2-CB 3.83Å; I336-L344 HydrophobicContact CG2-CD1 4.41Å; I336-M383 HydrophobicContact CD1-SD 3.93Å; I336-K386 HydrophobicContact CD1-CB 3.88Å; I336-K386 HydrophobicContact CG1-CB 4.05Å; I336-K386 PolarHBondContact N-O 3.03Å; I336-E388 PolarHBondContact O-N 3.03Å; I336-E388 VanDerWaalsContact O-N 3.08Å |
| 337 | P | 73.1 | Confident | 68.4 | Low | 47 Ų | 47 | 69.4 Ų | 69.4 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | trans | -63.5 | 149.8 | 174 | -23.7 | 34.1 | 0 | 0 | 0 | 113 | Y339 A340 A341 E388 | P337-Y339 HydrophobicContact CB-CD1 4.2Å; P337-Y339 HydrophobicContact CB-CE1 4.11Å; P337-Y339 PolarHBondContact O-N 3.45Å; P337-A340 WeakPolarHBondContact O-CB 3.41Å; P337-A340 PolarHBondContact O-N 3.28Å; P337-A341 PolarHBondContact O-N 2.99Å; P337-E388 WeakPolarHBondContact CA-OE2 3.39Å | ||
| 338 | H | 67.1 | Low | 69.9 | Low | 104 Ų | 104 | 67.8 Ų | 67.8 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -45.8 | -53 | -174 | -173.5 | -63.1 | 0 | 0 | 0 | 114.5 | A340 A341 D342 F395 | H338-A340 VanDerWaalsContact C-N 3.27Å; H338-A340 PolarHBondContact O-N 2.92Å; H338-A341 PolarHBondContact O-N 3.35Å; H338-D342 PolarHBondContact O-N 3.42Å; H338-F395 AromaticContact CD2-CE2 3.33Å; H338-F395 WeakPolarHBondContact CD2-CE2 3.2Å; H338-F395 AromaticContact CD2-CZ 3.42Å; H338-F395 VanDerWaalsContact CD2-CZ 3.42Å; H338-F395 WeakPolarHBondContact CD2-CZ 3.34Å; H338-F395 AromaticContact NE2-CE2 3.47Å; H338-F395 WeakPolarHBondContact NE2-CE2 3.47Å; H338-F395 AromaticContact NE2-CZ 3.5Å |
| 339 | Y | 71.1 | Confident | 71.3 | Confident | 169 Ų | 169 | 64.9 Ų | 64.9 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.2 | -28.4 | -176.7 | 83.9 | -85.9 | 0 | 0 | 0 | 112.7 | P337 N343 | P337-Y339 HydrophobicContact CB-CD1 4.2Å; P337-Y339 HydrophobicContact CB-CE1 4.11Å; P337-Y339 PolarHBondContact O-N 3.45Å; Y339-N343 WeakPolarHBondContact O-CB 3.44Å; Y339-N343 VanDerWaalsContact O-CG 3.28Å; Y339-N343 PolarHBondContact O-N 3.07Å; Y339-N343 PolarHBondContact O-ND2 3.01Å; Y339-N343 VanDerWaalsContact O-ND2 3.17Å |
| 340 | A | 75.4 | Confident | 72.8 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -76 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I336 P337 H338 L344 | I336-A340 HydrophobicContact CG2-CB 3.98Å; P337-A340 WeakPolarHBondContact O-CB 3.41Å; P337-A340 PolarHBondContact O-N 3.28Å; H338-A340 VanDerWaalsContact C-N 3.27Å; H338-A340 PolarHBondContact O-N 2.92Å; A340-L344 VanDerWaalsContact O-CB 3.24Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 WeakPolarHBondContact O-CD1 3.44Å; A340-L344 WeakPolarHBondContact O-CG 3.12Å; A340-L344 PolarHBondContact O-N 3.33Å |
| 341 | A | 76 | Confident | 74.1 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I336 P337 H338 T345 L387 L397 | I336-A341 HydrophobicContact CG2-CB 3.83Å; P337-A341 PolarHBondContact O-N 2.99Å; H338-A341 PolarHBondContact O-N 3.35Å; A341-T345 VanDerWaalsContact O-CB 3.3Å; A341-T345 WeakPolarHBondContact O-CB 3.5Å; A341-T345 PolarHBondContact O-N 2.72Å; A341-T345 PolarHBondContact O-OG1 3.2Å; A341-L387 HydrophobicContact CB-CD2 3.56Å; A341-L387 HydrophobicContact CB-CG 4.03Å; A341-L397 HydrophobicContact CB-CD2 4.22Å |
| 342 | D | 76.9 | Confident | 75.2 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -49.9 | 177.7 | -171.9 | 36.9 | 0 | 0 | 0 | 111.7 | H338 L344 T345 Q346 L397 Y406 | H338-D342 PolarHBondContact O-N 3.42Å; D342-L344 VanDerWaalsContact C-N 3.31Å; D342-L344 PolarHBondContact O-N 3.48Å; D342-T345 PolarHBondContact O-N 3.23Å; D342-T345 VanDerWaalsContact O-N 3.08Å; D342-Q346 WeakPolarHBondContact O-CG 3.25Å; D342-Q346 PolarHBondContact O-N 3.41Å; D342-Q346 PolarHBondContact OD1-NE2 2.87Å; D342-Q346 PolarHBondContact OD2-NE2 2.71Å; D342-L397 HydrophobicContact CB-CD1 3.82Å; D342-L397 HydrophobicContact CB-CD2 4.16Å; D342-Y406 PolarHBondContact OD1-OH 2.87Å |
| 343 | N | 79.4 | Confident | 76.3 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.5 | -42.4 | 175.7 | -76.3 | -21 | 0 | 0 | 0 | 112.6 | Y339 A347 | Y339-N343 WeakPolarHBondContact O-CB 3.44Å; Y339-N343 VanDerWaalsContact O-CG 3.28Å; Y339-N343 PolarHBondContact O-N 3.07Å; Y339-N343 PolarHBondContact O-ND2 3.01Å; Y339-N343 VanDerWaalsContact O-ND2 3.17Å; N343-A347 VanDerWaalsContact O-CB 3.23Å; N343-A347 WeakPolarHBondContact O-CB 3.44Å; N343-A347 PolarHBondContact O-N 2.75Å |
| 344 | L | 79.9 | Confident | 77.2 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 176.4 | -74.7 | 169 | 0 | 0 | 0 | 112.2 | F327 I336 A340 D342 F348 M383 | F327-L344 HydrophobicContact CE2-CD2 4.24Å; F327-L344 HydrophobicContact CZ-CB 4.39Å; F327-L344 HydrophobicContact CZ-CD2 4.27Å; I336-L344 HydrophobicContact CG2-CD1 4.41Å; A340-L344 VanDerWaalsContact O-CB 3.24Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 WeakPolarHBondContact O-CD1 3.44Å; A340-L344 WeakPolarHBondContact O-CG 3.12Å; A340-L344 PolarHBondContact O-N 3.33Å; D342-L344 VanDerWaalsContact C-N 3.31Å; D342-L344 PolarHBondContact O-N 3.48Å; L344-F348 VanDerWaalsContact O-CB 3.25Å; L344-F348 WeakPolarHBondContact O-CB 3.43Å; L344-F348 PolarHBondContact O-N 2.85Å; L344-M383 HydrophobicContact CB-CE 3.65Å; L344-M383 HydrophobicContact CD1-CE 4.39Å |
| 345 | T | 81.3 | Confident | 78 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | A341 D342 F348 L349 M380 Y406 L408 | A341-T345 VanDerWaalsContact O-CB 3.3Å; A341-T345 WeakPolarHBondContact O-CB 3.5Å; A341-T345 PolarHBondContact O-N 2.72Å; A341-T345 PolarHBondContact O-OG1 3.2Å; D342-T345 PolarHBondContact O-N 3.23Å; D342-T345 VanDerWaalsContact O-N 3.08Å; T345-F348 PolarHBondContact O-N 2.79Å; T345-L349 HydrophobicContact CG2-CD1 4.17Å; T345-L349 WeakPolarHBondContact O-CG 3.46Å; T345-L349 PolarHBondContact O-N 3.22Å; T345-M380 HydrophobicContact CG2-CE 3.56Å; T345-M380 HydrophobicContact CG2-SD 3.74Å; T345-Y406 HydrophobicContact CG2-CD1 4.34Å; T345-Y406 HydrophobicContact CG2-CD2 3.89Å; T345-Y406 HydrophobicContact CG2-CE1 4.07Å; T345-Y406 HydrophobicContact CG2-CE2 3.58Å; T345-Y406 HydrophobicContact CG2-CG 4.26Å; T345-L408 HydrophobicContact CG2-CD1 4.31Å |
| 346 | Q | 81.4 | Confident | 78.2 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 176.5 | -66.4 | 179.2 | 28 | 0 | 0 | 111.6 | D342 F348 L349 K350 Y406 | D342-Q346 WeakPolarHBondContact O-CG 3.25Å; D342-Q346 PolarHBondContact O-N 3.41Å; D342-Q346 PolarHBondContact OD1-NE2 2.87Å; D342-Q346 PolarHBondContact OD2-NE2 2.71Å; Q346-F348 PolarHBondContact O-N 3.13Å; Q346-L349 PolarHBondContact O-N 2.72Å; Q346-K350 WeakPolarHBondContact O-CB 3.41Å; Q346-K350 PolarHBondContact O-N 3.48Å; Q346-Y406 WeakPolarHBondContact CG-OH 3.4Å |
| 347 | A | 79.6 | Confident | 78.2 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N343 K350 S351 | N343-A347 VanDerWaalsContact O-CB 3.23Å; N343-A347 WeakPolarHBondContact O-CB 3.44Å; N343-A347 PolarHBondContact O-N 2.75Å; A347-K350 PolarHBondContact O-N 3.16Å; A347-S351 PolarHBondContact O-N 3.04Å; A347-S351 PolarHBondContact O-OG 3.03Å |
| 348 | F | 83.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -51.5 | 176.8 | 175 | -109.8 | 0 | 0 | 0 | 112.4 | V324 F327 L344 T345 Q346 K350 S351 V352 V376 V379 | V324-F348 HydrophobicContact CG1-CE2 4.23Å; F327-F348 HydrophobicContact CD1-CB 4.5Å; F327-F348 AromaticContact CD1-CD2 3.54Å; F327-F348 HydrophobicContact CD1-CD2 3.54Å; F327-F348 HydrophobicContact CD1-CE2 4.15Å; F327-F348 HydrophobicContact CD1-CG 4.3Å; F327-F348 HydrophobicContact CE1-CB 3.89Å; F327-F348 AromaticContact CE1-CD2 3.7Å; F327-F348 HydrophobicContact CE1-CD2 3.7Å; F327-F348 AromaticContact CE1-CG 3.99Å; F327-F348 HydrophobicContact CE1-CG 3.99Å; F327-F348 HydrophobicContact CE2-CB 4.12Å; F327-F348 AromaticContact CG-CD2 3.98Å; F327-F348 HydrophobicContact CG-CD2 3.98Å; F327-F348 HydrophobicContact CZ-CB 3.69Å; F327-F348 HydrophobicContact CZ-CD2 4.27Å; F327-F348 HydrophobicContact CZ-CG 4.3Å; L344-F348 VanDerWaalsContact O-CB 3.25Å; L344-F348 WeakPolarHBondContact O-CB 3.43Å; L344-F348 PolarHBondContact O-N 2.85Å; T345-F348 PolarHBondContact O-N 2.79Å; Q346-F348 PolarHBondContact O-N 3.13Å; F348-K350 PolarHBondContact O-N 3.38Å; F348-S351 PolarHBondContact O-N 2.88Å; F348-V352 HydrophobicContact CE1-CG2 4.14Å; F348-V352 HydrophobicContact CE2-CG2 4.24Å; F348-V352 HydrophobicContact CZ-CG2 3.97Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 3.31Å; F348-V376 HydrophobicContact CE1-CB 4.27Å; F348-V376 HydrophobicContact CE1-CG1 4.31Å; F348-V376 HydrophobicContact CE1-CG2 3.88Å; F348-V376 HydrophobicContact CZ-CG2 4.1Å; F348-V379 HydrophobicContact CD1-CB 4.39Å; F348-V379 HydrophobicContact CD1-CG1 3.82Å; F348-V379 HydrophobicContact CD2-CG1 4.06Å; F348-V379 HydrophobicContact CE1-CB 3.79Å; F348-V379 HydrophobicContact CE1-CG1 3.74Å; F348-V379 HydrophobicContact CE1-CG2 4.31Å; F348-V379 HydrophobicContact CE2-CB 4.13Å; F348-V379 HydrophobicContact CE2-CG1 3.99Å; F348-V379 HydrophobicContact CE2-CG2 3.79Å; F348-V379 HydrophobicContact CG-CG1 3.98Å; F348-V379 HydrophobicContact CZ-CB 3.65Å; F348-V379 HydrophobicContact CZ-CG1 3.84Å; F348-V379 HydrophobicContact CZ-CG2 3.64Å |
| 349 | L | 83.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -29.9 | 179.3 | -69.1 | 173.7 | 0 | 0 | 0 | 112.1 | T345 Q346 V352 E353 V376 M380 V403 Y406 | T345-L349 HydrophobicContact CG2-CD1 4.17Å; T345-L349 WeakPolarHBondContact O-CG 3.46Å; T345-L349 PolarHBondContact O-N 3.22Å; Q346-L349 PolarHBondContact O-N 2.72Å; L349-V352 WeakPolarHBondContact O-CB 3.26Å; L349-V352 PolarHBondContact O-N 3.15Å; L349-E353 PolarHBondContact O-N 2.89Å; L349-V376 HydrophobicContact CD2-CG1 4.21Å; L349-M380 HydrophobicContact CD1-CE 4.27Å; L349-V403 WeakPolarHBondContact O-CG2 3.39Å; L349-Y406 HydrophobicContact CD1-CD1 3.44Å; L349-Y406 VanDerWaalsContact CD1-CD1 3.44Å; L349-Y406 HydrophobicContact CD1-CE1 3.75Å; L349-Y406 HydrophobicContact CD1-CG 4.26Å |
| 350 | K | 81.3 | Confident | 76.4 | Confident | 116 Ų | 116 | 51.6 Ų | 51.6 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 171.1 | -168.7 | -170.7 | 175.8 | -136.3 | 0 | 112.4 | Q346 A347 F348 V352 E353 E354 | Q346-K350 WeakPolarHBondContact O-CB 3.41Å; Q346-K350 PolarHBondContact O-N 3.48Å; A347-K350 PolarHBondContact O-N 3.16Å; F348-K350 PolarHBondContact O-N 3.38Å; K350-V352 PolarHBondContact O-N 2.79Å; K350-E353 WeakPolarHBondContact O-CA 3.43Å; K350-E353 VanDerWaalsContact O-CB 3.26Å; K350-E353 WeakPolarHBondContact O-CB 3.43Å; K350-E353 PolarHBondContact O-N 3.1Å; K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 IonicContact NZ-OE1 2.65Å; K350-E354 PolarHBondContact NZ-OE1 2.79Å; K350-E354 WeakPolarHBondContact O-CG 3.44Å; K350-E354 PolarHBondContact O-N 3.49Å |
| 351 | S | 80.5 | Confident | 75.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -30 | 173.6 | -65 | 0 | 0 | 0 | 0 | 112.7 | A347 F348 V355 | A347-S351 PolarHBondContact O-N 3.04Å; A347-S351 PolarHBondContact O-OG 3.03Å; F348-S351 PolarHBondContact O-N 2.88Å; S351-V355 WeakPolarHBondContact O-CG2 3.45Å; S351-V355 PolarHBondContact O-N 3.33Å; S351-V355 VanDerWaalsContact O-N 3.17Å |
| 352 | V | 82.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 169.8 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | F348 L349 K350 V355 L356 L372 V376 V403 M453 | F348-V352 HydrophobicContact CE1-CG2 4.14Å; F348-V352 HydrophobicContact CE2-CG2 4.24Å; F348-V352 HydrophobicContact CZ-CG2 3.97Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 3.31Å; L349-V352 WeakPolarHBondContact O-CB 3.26Å; L349-V352 PolarHBondContact O-N 3.15Å; K350-V352 PolarHBondContact O-N 2.79Å; V352-V355 PolarHBondContact O-N 2.75Å; V352-L356 HydrophobicContact CG1-CD1 4.21Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.1Å; V352-L372 HydrophobicContact CG1-CD1 4.15Å; V352-L372 HydrophobicContact CG1-CD2 4.02Å; V352-L372 HydrophobicContact CG1-CG 4.06Å; V352-L372 HydrophobicContact CG2-CD1 4.28Å; V352-V376 HydrophobicContact CG1-CG2 4.23Å; V352-V376 HydrophobicContact CG2-CG2 3.95Å; V352-V403 HydrophobicContact CG1-CG1 3.98Å; V352-V403 HydrophobicContact CG1-CG2 4.25Å; V352-M453 HydrophobicContact CG1-CE 4.29Å |
| 353 | E | 81.9 | Confident | 73.2 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 24% | 0.243 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 173.2 | -162.1 | -172.7 | 169.5 | 0 | 0 | 112.4 | L349 K350 V355 L356 T357 L402 V403 | L349-E353 PolarHBondContact O-N 2.89Å; K350-E353 WeakPolarHBondContact O-CA 3.43Å; K350-E353 VanDerWaalsContact O-CB 3.26Å; K350-E353 WeakPolarHBondContact O-CB 3.43Å; K350-E353 PolarHBondContact O-N 3.1Å; E353-V355 PolarHBondContact O-N 2.88Å; E353-L356 PolarHBondContact O-N 2.84Å; E353-L356 VanDerWaalsContact O-N 3.16Å; E353-T357 HydrophobicContact CG-CG2 4.4Å; E353-T357 WeakPolarHBondContact O-CB 2.97Å; E353-T357 WeakPolarHBondContact O-CG2 3.24Å; E353-T357 PolarHBondContact O-N 2.98Å; E353-T357 PolarHBondContact O-OG1 3.04Å; E353-L402 WeakPolarHBondContact OE1-CB 3.47Å; E353-L402 VanDerWaalsContact OE1-CD1 3.22Å; E353-L402 WeakPolarHBondContact OE1-CD1 3.35Å; E353-V403 HydrophobicContact CB-CG2 3.66Å; E353-V403 HydrophobicContact CG-CG2 4.16Å |
| 354 | E | 80.6 | Confident | 71.9 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 46% | 0.458 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -29.6 | 177.9 | -70.5 | 169 | -176.5 | 0 | 0 | 111.9 | K350 S358 | K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 IonicContact NZ-OE1 2.65Å; K350-E354 PolarHBondContact NZ-OE1 2.79Å; K350-E354 WeakPolarHBondContact O-CG 3.44Å; K350-E354 PolarHBondContact O-N 3.49Å; E354-S358 PolarHBondContact O-N 2.82Å |
| 355 | V | 79.1 | Confident | 70.9 | Confident | 45 Ų | 45 | 63 Ų | 63 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74 | -45 | 170.6 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | P323 V324 S351 V352 E353 T357 S358 L372 | P323-V355 HydrophobicContact CG-CG2 4.44Å; V324-V355 HydrophobicContact CG2-CG2 4.47Å; S351-V355 WeakPolarHBondContact O-CG2 3.45Å; S351-V355 PolarHBondContact O-N 3.33Å; S351-V355 VanDerWaalsContact O-N 3.17Å; V352-V355 PolarHBondContact O-N 2.75Å; E353-V355 PolarHBondContact O-N 2.88Å; V355-T357 VanDerWaalsContact C-N 3.29Å; V355-T357 PolarHBondContact O-N 3.15Å; V355-S358 VanDerWaalsContact O-CB 3.32Å; V355-S358 WeakPolarHBondContact O-CB 3.42Å; V355-S358 PolarHBondContact O-N 2.9Å; V355-L372 HydrophobicContact CG1-CD2 4.3Å |
| 356 | L | 74.6 | Confident | 70.1 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.8 | -28 | -179.7 | -74.1 | 171.3 | 0 | 0 | 0 | 113.8 | V352 E353 L372 V403 M453 Y456 | V352-L356 HydrophobicContact CG1-CD1 4.21Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.1Å; E353-L356 PolarHBondContact O-N 2.84Å; E353-L356 VanDerWaalsContact O-N 3.16Å; L356-L372 HydrophobicContact CD2-CD2 3.75Å; L356-L372 HydrophobicContact CG-CD2 3.9Å; L356-V403 HydrophobicContact CD1-CG1 4.11Å; L356-V403 HydrophobicContact CD1-CG2 4.26Å; L356-M453 HydrophobicContact CD1-CE 3.88Å; L356-M453 HydrophobicContact CD1-SD 3.86Å; L356-M453 HydrophobicContact CD2-CE 4.45Å; L356-M453 HydrophobicContact CD2-SD 3.91Å; L356-Y456 HydrophobicContact CD2-CE2 3.87Å; L356-Y456 PolarHBondContact O-OH 3.35Å |
| 357 | T | 72.9 | Confident | 69.5 | Low | 98 Ų | 98 | 64.2 Ų | 64.2 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.5 | 179.6 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | E353 V355 | E353-T357 HydrophobicContact CG-CG2 4.4Å; E353-T357 WeakPolarHBondContact O-CB 2.97Å; E353-T357 WeakPolarHBondContact O-CG2 3.24Å; E353-T357 PolarHBondContact O-N 2.98Å; E353-T357 PolarHBondContact O-OG1 3.04Å; V355-T357 VanDerWaalsContact C-N 3.29Å; V355-T357 PolarHBondContact O-N 3.15Å |
| 358 | S | 73.3 | Confident | 69.2 | Low | 61 Ų | 61 | 65.5 Ų | 65.5 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | trans | -63.8 | 130.6 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | E354 V355 G360 L361 | E354-S358 PolarHBondContact O-N 2.82Å; V355-S358 VanDerWaalsContact O-CB 3.32Å; V355-S358 WeakPolarHBondContact O-CB 3.42Å; V355-S358 PolarHBondContact O-N 2.9Å; S358-G360 PolarHBondContact O-N 2.96Å; S358-L361 PolarHBondContact O-N 3Å | ||
| 359 | P | 51.1 | Low | 68.8 | Low | 143 Ų | 143 | 65.4 Ų | 65.4 | 93% | 0.929 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 29 | -171.4 | 32.6 | -38.1 | 0 | 0 | 0 | 114.8 | ||
| 360 | G | 50.9 | Low | 68.6 | Low | 69 Ų | 69 | 65.5 Ų | 65.5 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 2.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S358 | S358-G360 PolarHBondContact O-N 2.96Š|
| 361 | L | 56.8 | Low | 68.5 | Low | 51 Ų | 51 | 62.6 Ų | 62.6 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | trans | -81.6 | 118.7 | 179.7 | -166 | 68.4 | 0 | 0 | 0 | 110.3 | S358 A365 V368 Y456 | S358-L361 PolarHBondContact O-N 3Å; L361-A365 HydrophobicContact CD1-CB 3.97Å; L361-A365 HydrophobicContact CD2-CB 4.03Å; L361-A365 HydrophobicContact CG-CB 3.78Å; L361-V368 HydrophobicContact CD1-CB 4.32Å; L361-V368 HydrophobicContact CD1-CG1 3.98Å; L361-Y456 HydrophobicContact CD2-CD1 4.16Å; L361-Y456 HydrophobicContact CD2-CE1 3.74Å | ||
| 362 | P | 52.4 | Low | 68.5 | Low | 84 Ų | 84 | 61.7 Ų | 61.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | trans | -74.3 | 160.5 | -174.9 | 30.8 | -36.1 | 0 | 0 | 0 | 112.6 | Q364 A365 | P362-Q364 PolarHBondContact O-N 2.95Å; P362-A365 WeakPolarHBondContact O-CB 3.25Å; P362-A365 PolarHBondContact O-N 3.46Å | ||
| 363 | E | 51.6 | Low | 68.6 | Low | 151 Ų | 151 | 61.7 Ų | 61.7 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -64.4 | -7.7 | -178.5 | -66.7 | -153.9 | 91.2 | 0 | 0 | 115.6 | K458 | E363-K458 IonicContact OE1-NZ 3.94Å; E363-K458 PolarHBondContact OE1-NZ 2.92Å |
| 364 | Q | 52.3 | Low | 68.6 | Low | 159 Ų | 159 | 62 Ų | 62 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | trans | -116.2 | 65.7 | 171.2 | -73.1 | 180 | -18.6 | 0 | 0 | 109.7 | P362 | P362-Q364 PolarHBondContact O-N 2.95Š| ||
| 365 | A | 58.1 | Low | 68.7 | Low | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | trans | -88.2 | 1.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L361 P362 P367 V368 V369 Y456 | L361-A365 HydrophobicContact CD1-CB 3.97Å; L361-A365 HydrophobicContact CD2-CB 4.03Å; L361-A365 HydrophobicContact CG-CB 3.78Å; P362-A365 WeakPolarHBondContact O-CB 3.25Å; P362-A365 PolarHBondContact O-N 3.46Å; A365-P367 VanDerWaalsContact C-CD 3.5Å; A365-P367 VanDerWaalsContact O-N 3.09Å; A365-V368 WeakPolarHBondContact O-CA 3.07Å; A365-V368 WeakPolarHBondContact O-CB 3.39Å; A365-V368 PolarHBondContact O-N 3.02Å; A365-V369 HydrophobicContact CB-CG2 3.99Å; A365-V369 PolarHBondContact O-N 2.78Å; A365-Y456 HydrophobicContact CB-CD1 4.34Å | ||
| 366 | D | 64.6 | Low | 69 | Low | 46 Ų | 46 | 56.8 Ų | 56.8 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -32.8 | -57.1 | -175.8 | -65.6 | -6.1 | 0 | 0 | 0 | 115.1 | V369 S370 Y457 | D366-V369 PolarHBondContact O-N 3Å; D366-S370 WeakPolarHBondContact O-CB 3.22Å; D366-S370 PolarHBondContact O-N 2.78Å; D366-S370 PolarHBondContact O-OG 2.8Å; D366-S370 VanDerWaalsContact O-OG 3.07Å; D366-Y457 HydrophobicContact CB-CD1 4.14Å; D366-Y457 HydrophobicContact CB-CE1 4.03Å; D366-Y457 WeakPolarHBondContact OD1-CD1 3.46Å |
| 367 | P | 69.4 | Low | 69.4 | Low | 75 Ų | 75 | 57.1 Ų | 57.1 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -35.5 | -178.1 | 28.1 | -36.1 | 0 | 0 | 0 | 113.4 | A365 V369 S370 S371 | A365-P367 VanDerWaalsContact C-CD 3.5Å; A365-P367 VanDerWaalsContact O-N 3.09Å; P367-V369 VanDerWaalsContact C-N 3.34Å; P367-S370 PolarHBondContact O-N 2.8Å; P367-S371 PolarHBondContact O-N 3.08Å; P367-S371 PolarHBondContact O-OG 3.33Å |
| 368 | V | 72.6 | Confident | 69.8 | Low | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L361 A365 L372 | L361-V368 HydrophobicContact CD1-CB 4.32Å; L361-V368 HydrophobicContact CD1-CG1 3.98Å; A365-V368 WeakPolarHBondContact O-CA 3.07Å; A365-V368 WeakPolarHBondContact O-CB 3.39Å; A365-V368 PolarHBondContact O-N 3.02Å; V368-L372 VanDerWaalsContact O-CB 3.3Å; V368-L372 WeakPolarHBondContact O-CB 3.45Å; V368-L372 PolarHBondContact O-N 3.41Å |
| 369 | V | 76.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 175.8 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | A365 D366 P367 L372 I373 M453 Y456 Y457 | A365-V369 HydrophobicContact CB-CG2 3.99Å; A365-V369 PolarHBondContact O-N 2.78Å; D366-V369 PolarHBondContact O-N 3Å; P367-V369 VanDerWaalsContact C-N 3.34Å; V369-L372 PolarHBondContact O-N 3.3Å; V369-I373 HydrophobicContact CG1-CD1 4.01Å; V369-I373 WeakPolarHBondContact O-CG1 3.37Å; V369-I373 PolarHBondContact O-N 2.87Å; V369-M453 HydrophobicContact CG1-CB 4.42Å; V369-M453 HydrophobicContact CG1-SD 3.89Å; V369-Y456 HydrophobicContact CG2-CD1 4.3Å; V369-Y456 HydrophobicContact CG2-CD2 4.2Å; V369-Y456 HydrophobicContact CG2-CG 3.85Å; V369-Y457 HydrophobicContact CB-CE2 4.45Å; V369-Y457 HydrophobicContact CG1-CE2 3.71Å |
| 370 | S | 78.5 | Confident | 71.9 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.9 | -67.8 | 0 | 0 | 0 | 0 | 112 | D366 P367 L372 I373 E374 Y457 Y537 | D366-S370 WeakPolarHBondContact O-CB 3.22Å; D366-S370 PolarHBondContact O-N 2.78Å; D366-S370 PolarHBondContact O-OG 2.8Å; D366-S370 VanDerWaalsContact O-OG 3.07Å; P367-S370 PolarHBondContact O-N 2.8Å; S370-L372 VanDerWaalsContact C-N 3.3Å; S370-L372 PolarHBondContact O-N 3.02Å; S370-I373 PolarHBondContact O-N 3.48Å; S370-E374 PolarHBondContact O-N 3Å; S370-E374 VanDerWaalsContact O-N 3.11Å; S370-Y457 WeakPolarHBondContact CA-OH 3.44Å; S370-Y457 PolarHBondContact N-OH 3.3Å; S370-Y457 PolarHBondContact OG-OH 2.78Å; S370-Y537 WeakPolarHBondContact O-CE1 3.18Å; S370-Y537 PolarHBondContact O-OH 3.04Å |
| 371 | S | 78.3 | Confident | 73.4 | Confident | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67 | -28.9 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 113.3 | P367 T375 | P367-S371 PolarHBondContact O-N 3.08Å; P367-S371 PolarHBondContact O-OG 3.33Å; S371-T375 WeakPolarHBondContact O-CB 3.19Å; S371-T375 PolarHBondContact O-N 3.3Å; S371-T375 PolarHBondContact O-OG1 2.7Å |
| 372 | L | 82 | Confident | 74.6 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | 176.2 | -171.4 | 58.8 | 0 | 0 | 0 | 111.6 | V352 V355 L356 V368 V369 S370 T375 V376 M453 | V352-L372 HydrophobicContact CG1-CD1 4.15Å; V352-L372 HydrophobicContact CG1-CD2 4.02Å; V352-L372 HydrophobicContact CG1-CG 4.06Å; V352-L372 HydrophobicContact CG2-CD1 4.28Å; V355-L372 HydrophobicContact CG1-CD2 4.3Å; L356-L372 HydrophobicContact CD2-CD2 3.75Å; L356-L372 HydrophobicContact CG-CD2 3.9Å; V368-L372 VanDerWaalsContact O-CB 3.3Å; V368-L372 WeakPolarHBondContact O-CB 3.45Å; V368-L372 PolarHBondContact O-N 3.41Å; V369-L372 PolarHBondContact O-N 3.3Å; S370-L372 VanDerWaalsContact C-N 3.3Å; S370-L372 PolarHBondContact O-N 3.02Å; L372-T375 PolarHBondContact O-N 3.07Å; L372-V376 WeakPolarHBondContact O-CG2 3.47Å; L372-V376 PolarHBondContact O-N 3.07Å; L372-M453 HydrophobicContact CD2-CE 4.22Å; L372-M453 HydrophobicContact CG-CE 4.27Å |
| 373 | I | 83.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 172.2 | -69.3 | 162.2 | 0 | 0 | 0 | 110.6 | V369 S370 T375 V376 D377 Y450 M453 Y457 L484 Y537 N568 | V369-I373 HydrophobicContact CG1-CD1 4.01Å; V369-I373 WeakPolarHBondContact O-CG1 3.37Å; V369-I373 PolarHBondContact O-N 2.87Å; S370-I373 PolarHBondContact O-N 3.48Å; I373-T375 VanDerWaalsContact C-N 3.32Å; I373-T375 PolarHBondContact O-N 2.95Å; I373-V376 PolarHBondContact O-N 3.2Å; I373-D377 PolarHBondContact O-N 3.46Å; I373-Y450 HydrophobicContact CG2-CE2 4.12Å; I373-M453 HydrophobicContact CD1-CB 4.3Å; I373-M453 HydrophobicContact CD1-CG 4.32Å; I373-M453 HydrophobicContact CG1-CE 4.12Å; I373-M453 HydrophobicContact CG1-CG 4.19Å; I373-M453 HydrophobicContact CG1-SD 4.39Å; I373-Y457 HydrophobicContact CD1-CE2 4.39Å; I373-L484 HydrophobicContact CD1-CD2 3.67Å; I373-Y537 WeakPolarHBondContact CG2-OH 3.09Å; I373-N568 VanDerWaalsContact CG2-OD1 3.3Å; I373-N568 WeakPolarHBondContact CG2-OD1 3.47Å |
| 374 | E | 82.4 | Confident | 77.4 | Confident | 60 Ų | 60 | 33 Ų | 33 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.2 | -173.9 | 176.8 | -164.4 | 0 | 0 | 112 | S370 V376 D377 I378 Y537 | S370-E374 PolarHBondContact O-N 3Å; S370-E374 VanDerWaalsContact O-N 3.11Å; E374-V376 VanDerWaalsContact C-N 3.33Å; E374-V376 PolarHBondContact O-N 2.89Å; E374-D377 PolarHBondContact O-N 3.12Å; E374-I378 HydrophobicContact CG-CD1 4.02Å; E374-I378 VanDerWaalsContact O-CG1 3.28Å; E374-I378 WeakPolarHBondContact O-CG1 3.26Å; E374-I378 PolarHBondContact O-N 3.05Å; E374-Y537 HydrophobicContact CB-CD1 4.13Å; E374-Y537 HydrophobicContact CB-CE1 3.59Å; E374-Y537 HydrophobicContact CG-CD1 4.14Å; E374-Y537 HydrophobicContact CG-CE1 4.13Å; E374-Y537 PolarHBondContact N-OH 2.68Å; E374-Y537 WeakPolarHBondContact OE2-CD1 3.45Å |
| 375 | T | 82.9 | Confident | 78.8 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 112 | V324 L328 S371 L372 I373 V379 | V324-T375 HydrophobicContact CG1-CG2 3.41Å; V324-T375 VanDerWaalsContact CG1-CG2 3.41Å; L328-T375 HydrophobicContact CD1-CG2 4.09Å; S371-T375 WeakPolarHBondContact O-CB 3.19Å; S371-T375 PolarHBondContact O-N 3.3Å; S371-T375 PolarHBondContact O-OG1 2.7Å; L372-T375 PolarHBondContact O-N 3.07Å; I373-T375 VanDerWaalsContact C-N 3.32Å; I373-T375 PolarHBondContact O-N 2.95Å; T375-V379 HydrophobicContact CG2-CG2 4.49Å; T375-V379 WeakPolarHBondContact O-CG2 3.44Å; T375-V379 PolarHBondContact O-N 2.82Å |
| 376 | V | 85.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -47.4 | 173.4 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | F348 L349 V352 L372 I373 E374 I378 V379 M380 L448 Y450 | F348-V376 HydrophobicContact CE1-CB 4.27Å; F348-V376 HydrophobicContact CE1-CG1 4.31Å; F348-V376 HydrophobicContact CE1-CG2 3.88Å; F348-V376 HydrophobicContact CZ-CG2 4.1Å; L349-V376 HydrophobicContact CD2-CG1 4.21Å; V352-V376 HydrophobicContact CG1-CG2 4.23Å; V352-V376 HydrophobicContact CG2-CG2 3.95Å; L372-V376 WeakPolarHBondContact O-CG2 3.47Å; L372-V376 PolarHBondContact O-N 3.07Å; I373-V376 PolarHBondContact O-N 3.2Å; E374-V376 VanDerWaalsContact C-N 3.33Å; E374-V376 PolarHBondContact O-N 2.89Å; V376-I378 VanDerWaalsContact C-N 3.28Å; V376-I378 PolarHBondContact O-N 2.99Å; V376-V379 PolarHBondContact O-N 2.91Å; V376-M380 HydrophobicContact CG1-CG 4.05Å; V376-M380 VanDerWaalsContact O-CB 3.3Å; V376-M380 WeakPolarHBondContact O-CB 3.36Å; V376-M380 WeakPolarHBondContact O-CG 3.24Å; V376-M380 PolarHBondContact O-N 3.28Å; V376-L448 HydrophobicContact CG1-CD1 3.85Å; V376-L448 HydrophobicContact CG1-CD2 4.13Å; V376-Y450 HydrophobicContact CG1-CE1 4.24Å; V376-Y450 WeakPolarHBondContact CG1-OH 3.43Å |
| 377 | D | 81.9 | Confident | 80.5 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.2 | -39.3 | 176.8 | -79.6 | -1.5 | 0 | 0 | 0 | 112.1 | I373 E374 G381 L448 Y450 S486 N568 | I373-D377 PolarHBondContact O-N 3.46Å; E374-D377 PolarHBondContact O-N 3.12Å; D377-G381 PolarHBondContact O-N 2.96Å; D377-G381 VanDerWaalsContact O-N 3.08Å; D377-L448 WeakPolarHBondContact OD1-CD1 3.2Å; D377-Y450 PolarHBondContact OD1-OH 2.65Å; D377-S486 PolarHBondContact OD2-OG 3.44Å; D377-N568 PolarHBondContact OD2-ND2 2.85Å |
| 378 | I | 82.4 | Confident | 80.6 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 45% | 0.451 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.9 | -52 | 176.3 | -70.7 | 166.2 | 0 | 0 | 0 | 111.5 | L328 E374 V376 M380 G381 H382 | L328-I378 HydrophobicContact CD2-CG2 4.46Å; E374-I378 HydrophobicContact CG-CD1 4.02Å; E374-I378 VanDerWaalsContact O-CG1 3.28Å; E374-I378 WeakPolarHBondContact O-CG1 3.26Å; E374-I378 PolarHBondContact O-N 3.05Å; V376-I378 VanDerWaalsContact C-N 3.28Å; V376-I378 PolarHBondContact O-N 2.99Å; I378-M380 VanDerWaalsContact C-N 3.33Å; I378-M380 PolarHBondContact O-N 2.8Å; I378-G381 PolarHBondContact O-N 2.91Å; I378-H382 PolarHBondContact O-N 3.39Å |
| 379 | V | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | -178.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | F327 L328 F348 T375 V376 H382 M383 | F327-V379 HydrophobicContact CD1-CG1 4.32Å; F327-V379 HydrophobicContact CE1-CG1 3.87Å; L328-V379 HydrophobicContact CD2-CG2 3.57Å; L328-V379 HydrophobicContact CG-CG2 4.13Å; F348-V379 HydrophobicContact CD1-CB 4.39Å; F348-V379 HydrophobicContact CD1-CG1 3.82Å; F348-V379 HydrophobicContact CD2-CG1 4.06Å; F348-V379 HydrophobicContact CE1-CB 3.79Å; F348-V379 HydrophobicContact CE1-CG1 3.74Å; F348-V379 HydrophobicContact CE1-CG2 4.31Å; F348-V379 HydrophobicContact CE2-CB 4.13Å; F348-V379 HydrophobicContact CE2-CG1 3.99Å; F348-V379 HydrophobicContact CE2-CG2 3.79Å; F348-V379 HydrophobicContact CG-CG1 3.98Å; F348-V379 HydrophobicContact CZ-CB 3.65Å; F348-V379 HydrophobicContact CZ-CG1 3.84Å; F348-V379 HydrophobicContact CZ-CG2 3.64Å; T375-V379 HydrophobicContact CG2-CG2 4.49Å; T375-V379 WeakPolarHBondContact O-CG2 3.44Å; T375-V379 PolarHBondContact O-N 2.82Å; V376-V379 PolarHBondContact O-N 2.91Å; V379-H382 PolarHBondContact O-N 2.93Å; V379-M383 HydrophobicContact CG1-CE 4.47Å; V379-M383 WeakPolarHBondContact O-CG 3.46Å; V379-M383 PolarHBondContact O-N 3.44Å |
| 380 | M | 84.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.9 | -36.6 | 179.9 | -66.2 | -65.2 | -104.2 | 0 | 0 | 112.1 | T345 L349 V376 I378 M383 V384 Y406 L408 V446 L448 | T345-M380 HydrophobicContact CG2-CE 3.56Å; T345-M380 HydrophobicContact CG2-SD 3.74Å; L349-M380 HydrophobicContact CD1-CE 4.27Å; V376-M380 HydrophobicContact CG1-CG 4.05Å; V376-M380 VanDerWaalsContact O-CB 3.3Å; V376-M380 WeakPolarHBondContact O-CB 3.36Å; V376-M380 WeakPolarHBondContact O-CG 3.24Å; V376-M380 PolarHBondContact O-N 3.28Å; I378-M380 VanDerWaalsContact C-N 3.33Å; I378-M380 PolarHBondContact O-N 2.8Å; M380-M383 PolarHBondContact O-N 2.81Å; M380-V384 PolarHBondContact O-N 3.24Å; M380-Y406 VanDerWaalsContact CE-CB 3.45Å; M380-Y406 HydrophobicContact CE-CD1 4.45Å; M380-Y406 HydrophobicContact CE-CD2 4.04Å; M380-Y406 HydrophobicContact CE-CG 3.76Å; M380-L408 HydrophobicContact CB-CD2 4.04Å; M380-L408 HydrophobicContact CE-CD1 4.07Å; M380-L408 HydrophobicContact CE-CD2 3.93Å; M380-L408 HydrophobicContact CE-CG 4.22Å; M380-L408 HydrophobicContact SD-CD1 4.07Å; M380-L408 HydrophobicContact SD-CD2 4.23Å; M380-V446 HydrophobicContact CB-CG1 3.68Å; M380-L448 HydrophobicContact CB-CD1 4.35Å; M380-L448 HydrophobicContact CE-CD2 3.77Å; M380-L448 HydrophobicContact CG-CD1 4.2Å; M380-L448 HydrophobicContact CG-CD2 4.35Å |
| 381 | G | 82.3 | Confident | 78.5 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D377 I378 M383 V384 T385 | D377-G381 PolarHBondContact O-N 2.96Å; D377-G381 VanDerWaalsContact O-N 3.08Å; I378-G381 PolarHBondContact O-N 2.91Å; G381-M383 PolarHBondContact O-N 3.32Å; G381-V384 PolarHBondContact O-N 3.32Å; G381-T385 WeakPolarHBondContact O-CG2 3.39Å; G381-T385 PolarHBondContact O-N 3.17Å; G381-T385 VanDerWaalsContact O-N 3.07Å; G381-T385 PolarHBondContact O-OG1 3.48Å; G381-T385 VanDerWaalsContact O-OG1 3.07Å |
| 382 | H | 81.8 | Confident | 77.6 | Confident | 54 Ų | 54 | 40 Ų | 40 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.3 | -170.3 | -96.3 | 0 | 0 | 0 | 112.3 | L331 I378 V379 T385 K386 | L331-H382 HydrophobicContact CD1-CB 4.41Å; I378-H382 PolarHBondContact O-N 3.39Å; V379-H382 PolarHBondContact O-N 2.93Å; H382-T385 WeakPolarHBondContact CA-OG1 3.4Å; H382-T385 PolarHBondContact O-OG1 2.92Å; H382-K386 VanDerWaalsContact CE1-CG 3.47Å; H382-K386 WeakPolarHBondContact CE1-CG 3.49Å; H382-K386 VanDerWaalsContact NE2-CE 3.26Å; H382-K386 WeakPolarHBondContact NE2-CE 3.32Å; H382-K386 WeakPolarHBondContact O-CB 3.39Å; H382-K386 WeakPolarHBondContact O-CG 3.38Å; H382-K386 PolarHBondContact O-N 3.49Å; H382-K386 VanDerWaalsContact O-N 3.09Å |
| 383 | M | 81.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 174 | -69 | -59.3 | -171.5 | 0 | 0 | 112.2 | F327 L331 I336 L344 V379 M380 G381 K386 L387 L408 | F327-M383 HydrophobicContact CE1-CE 3.86Å; F327-M383 HydrophobicContact CZ-CE 3.83Å; L331-M383 HydrophobicContact CD2-CE 3.52Å; L331-M383 HydrophobicContact CD2-SD 3.98Å; I336-M383 HydrophobicContact CD1-SD 3.93Å; L344-M383 HydrophobicContact CB-CE 3.65Å; L344-M383 HydrophobicContact CD1-CE 4.39Å; V379-M383 HydrophobicContact CG1-CE 4.47Å; V379-M383 WeakPolarHBondContact O-CG 3.46Å; V379-M383 PolarHBondContact O-N 3.44Å; M380-M383 PolarHBondContact O-N 2.81Å; G381-M383 PolarHBondContact O-N 3.32Å; M383-K386 PolarHBondContact O-N 3.01Å; M383-L387 WeakPolarHBondContact O-CB 3.3Å; M383-L387 WeakPolarHBondContact O-CG 3.48Å; M383-L387 PolarHBondContact O-N 3.33Å; M383-L408 HydrophobicContact CB-CD1 4.38Å |
| 384 | V | 82.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | -178.3 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | M380 G381 K386 L408 M409 K410 T444 V446 | M380-V384 PolarHBondContact O-N 3.24Å; G381-V384 PolarHBondContact O-N 3.32Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 2.61Å; V384-L408 HydrophobicContact CG2-CB 3.61Å; V384-L408 HydrophobicContact CG2-CD1 4.36Å; V384-L408 HydrophobicContact CG2-CD2 3.71Å; V384-L408 HydrophobicContact CG2-CG 4.06Å; V384-M409 WeakPolarHBondContact CG1-O 3.1Å; V384-K410 HydrophobicContact CG1-CB 4.37Å; V384-K410 WeakPolarHBondContact O-CD 3.49Å; V384-K410 WeakPolarHBondContact O-CE 3.48Å; V384-K410 PolarHBondContact O-NZ 2.99Å; V384-T444 HydrophobicContact CG1-CG2 3.61Å; V384-V446 HydrophobicContact CB-CG2 4.45Å; V384-V446 HydrophobicContact CG2-CG2 3.86Å |
| 385 | T | 81 | Confident | 75.6 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | G381 H382 K410 T444 | G381-T385 WeakPolarHBondContact O-CG2 3.39Å; G381-T385 PolarHBondContact O-N 3.17Å; G381-T385 VanDerWaalsContact O-N 3.07Å; G381-T385 PolarHBondContact O-OG1 3.48Å; G381-T385 VanDerWaalsContact O-OG1 3.07Å; H382-T385 WeakPolarHBondContact CA-OG1 3.4Å; H382-T385 PolarHBondContact O-OG1 2.92Å; T385-K410 PolarHBondContact O-NZ 2.7Å; T385-T444 HydrophobicContact CG2-CG2 4.48Å |
| 386 | K | 80.1 | Confident | 75.4 | Confident | 50 Ų | 50 | 46 Ų | 46 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -84.7 | -14.5 | 179.3 | -62.8 | -61.2 | -172.2 | 172.3 | 0 | 116.4 | N333 T335 I336 H382 M383 V384 E388 | N333-K386 PolarHBondContact O-NZ 3.09Å; N333-K386 PolarHBondContact OD1-NZ 3.11Å; T335-K386 WeakPolarHBondContact CA-O 3.47Å; I336-K386 HydrophobicContact CD1-CB 3.88Å; I336-K386 HydrophobicContact CG1-CB 4.05Å; I336-K386 PolarHBondContact N-O 3.03Å; H382-K386 VanDerWaalsContact CE1-CG 3.47Å; H382-K386 WeakPolarHBondContact CE1-CG 3.49Å; H382-K386 VanDerWaalsContact NE2-CE 3.26Å; H382-K386 WeakPolarHBondContact NE2-CE 3.32Å; H382-K386 WeakPolarHBondContact O-CB 3.39Å; H382-K386 WeakPolarHBondContact O-CG 3.38Å; H382-K386 PolarHBondContact O-N 3.49Å; H382-K386 VanDerWaalsContact O-N 3.09Å; M383-K386 PolarHBondContact O-N 3.01Å; V384-K386 VanDerWaalsContact C-N 3.35Å; V384-K386 PolarHBondContact O-N 2.61Å; K386-E388 PolarHBondContact O-N 3.31Å |
| 387 | L | 77.4 | Confident | 75.2 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -54.7 | 135.3 | 177.2 | -104.2 | 166.2 | 0 | 0 | 0 | 112.8 | A341 M383 F395 K410 | A341-L387 HydrophobicContact CB-CD2 3.56Å; A341-L387 HydrophobicContact CB-CG 4.03Å; M383-L387 WeakPolarHBondContact O-CB 3.3Å; M383-L387 WeakPolarHBondContact O-CG 3.48Å; M383-L387 PolarHBondContact O-N 3.33Å; L387-F395 HydrophobicContact CD1-CD1 4.3Å; L387-F395 HydrophobicContact CD1-CE1 3.79Å; L387-F395 HydrophobicContact CD2-CE1 4.11Å; L387-K410 PolarHBondContact O-NZ 2.89Å |
| 388 | E | 72.6 | Confident | 75.2 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | trans | -58.5 | 139.1 | 171.7 | -76.8 | -179.8 | 171.3 | 0 | 0 | 111.6 | T335 I336 P337 K386 | T335-E388 HydrophobicContact CG2-CG 4.49Å; T335-E388 PolarHBondContact OG1-OE1 3.17Å; I336-E388 PolarHBondContact O-N 3.03Å; I336-E388 VanDerWaalsContact O-N 3.08Å; P337-E388 WeakPolarHBondContact CA-OE2 3.39Å; K386-E388 PolarHBondContact O-N 3.31Å | ||
| 389 | F | 66.4 | Low | 75.3 | Confident | 63 Ų | 63 | 44.8 Ų | 44.8 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | trans | -136.6 | 117.7 | -170.8 | -174.9 | -102.7 | 0 | 0 | 0 | 111.4 | K410 P412 | F389-K410 HydrophobicContact CB-CD 4.2Å; F389-K410 HydrophobicContact CD2-CB 4.16Å; F389-K410 HydrophobicContact CD2-CD 3.88Å; F389-K410 HydrophobicContact CD2-CG 3.82Å; F389-K410 HydrophobicContact CE2-CB 4.35Å; F389-K410 HydrophobicContact CE2-CG 4.16Å; F389-K410 HydrophobicContact CG-CD 4.25Å; F389-K410 HydrophobicContact CG-CG 4.5Å; F389-P412 HydrophobicContact CE1-CB 4.47Å; F389-P412 HydrophobicContact CZ-CB 3.87Å; F389-P412 HydrophobicContact CZ-CG 4.27Å | ||
| 390 | S | 60.6 | Low | 75.3 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | trans | -88 | 128.3 | 173.1 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | G392 | S390-G392 PolarHBondContact O-N 3.04Š| ||
| 391 | S | 56.2 | Low | 75.3 | Confident | 120 Ų | 120 | 51.5 Ų | 51.5 | 84% | 0.839 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 17.8 | -165.2 | 51.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 392 | G | 58.8 | Low | 75.2 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 76% | 0.763 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -7.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S390 | S390-G392 PolarHBondContact O-N 3.04Š|
| 393 | S | 62.3 | Low | 75.3 | Confident | 63 Ų | 63 | 54 Ų | 54 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -149.2 | 148.6 | -174.3 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 394 | P | 67.6 | Low | 75.6 | Confident | 53 Ų | 53 | 54 Ų | 54 | 34% | 0.344 | 35% | 0.352 | S | S | . | . | trans | -61 | 138.1 | 166 | 30.5 | -36.5 | 0 | 0 | 0 | 109.8 | M409 L411 F415 | P394-M409 HydrophobicContact CB-CE 4.2Å; P394-L411 HydrophobicContact CB-CD2 4Å; P394-F415 HydrophobicContact CB-CE1 4.3Å; P394-F415 HydrophobicContact CB-CE2 4.22Å; P394-F415 HydrophobicContact CB-CZ 4.08Å; P394-F415 HydrophobicContact CG-CD2 4.45Å; P394-F415 HydrophobicContact CG-CE1 4.34Å; P394-F415 HydrophobicContact CG-CE2 3.71Å; P394-F415 HydrophobicContact CG-CZ 3.65Å | ||
| 395 | F | 75.6 | Confident | 75.9 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.7 | 175.6 | 179.2 | -102.6 | 0 | 0 | 0 | 110.8 | H338 L387 L397 M409 K410 | H338-F395 AromaticContact CD2-CE2 3.33Å; H338-F395 WeakPolarHBondContact CD2-CE2 3.2Å; H338-F395 AromaticContact CD2-CZ 3.42Å; H338-F395 VanDerWaalsContact CD2-CZ 3.42Å; H338-F395 WeakPolarHBondContact CD2-CZ 3.34Å; H338-F395 AromaticContact NE2-CE2 3.47Å; H338-F395 WeakPolarHBondContact NE2-CE2 3.47Å; H338-F395 AromaticContact NE2-CZ 3.5Å; L387-F395 HydrophobicContact CD1-CD1 4.3Å; L387-F395 HydrophobicContact CD1-CE1 3.79Å; L387-F395 HydrophobicContact CD2-CE1 4.11Å; F395-L397 HydrophobicContact CE1-CB 3.74Å; F395-L397 HydrophobicContact CZ-CB 3.79Å; F395-M409 CarbonylContact O-C 3.56Å; F395-M409 VanDerWaalsContact O-CA 3.27Å; F395-M409 WeakPolarHBondContact O-CA 3.25Å; F395-M409 WeakPolarHBondContact O-CG 3.25Å; F395-K410 HydrophobicContact CB-CB 4.48Å; F395-K410 PolarHBondContact N-O 3.44Å; F395-K410 PolarHBondContact O-N 2.98Å |
| 396 | S | 78.9 | Confident | 76.4 | Confident | 75 Ų | 75 | 53 Ų | 53 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 115.1 | 174.9 | 58 | 0 | 0 | 0 | 0 | 110.7 | ||
| 397 | L | 80.8 | Confident | 76.8 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.4 | 162.9 | 173.7 | 61.8 | 0 | 0 | 0 | 108.3 | A341 D342 F395 Y406 L408 | A341-L397 HydrophobicContact CB-CD2 4.22Å; D342-L397 HydrophobicContact CB-CD1 3.82Å; D342-L397 HydrophobicContact CB-CD2 4.16Å; F395-L397 HydrophobicContact CE1-CB 3.74Å; F395-L397 HydrophobicContact CZ-CB 3.79Å; L397-Y406 HydrophobicContact CG-CE2 4.4Å; L397-L408 HydrophobicContact CB-CB 4.22Å; L397-L408 HydrophobicContact CD2-CD1 4.34Å; L397-L408 PolarHBondContact N-O 3.22Å; L397-L408 PolarHBondContact O-N 3.33Å |
| 398 | G | 82.3 | Confident | 77.3 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 151 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y406 | G398-Y406 WeakPolarHBondContact CA-O 3.31Å |
| 399 | G | 83.9 | Confident | 77.8 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 24% | 0.237 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y406 | G399-Y406 VanDerWaalsContact C-CE1 3.5Å; G399-Y406 PolarHBondContact N-O 3.17Å; G399-Y406 VanDerWaalsContact N-O 3.09Å; G399-Y406 VanDerWaalsContact O-CD1 3.27Å; G399-Y406 WeakPolarHBondContact O-CD1 3.39Å; G399-Y406 PolarHBondContact O-N 3.36Å |
| 400 | T | 84.8 | Confident | 78.6 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 72% | 0.718 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 122 | -174.6 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | D405 | T400-D405 VanDerWaalsContact CB-OD1 3.28Å; T400-D405 WeakPolarHBondContact CB-OD1 3.49Å; T400-D405 WeakPolarHBondContact CG2-OD1 3.31Å |
| 401 | S | 84.7 | Confident | 79.5 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | -117 | 162.4 | 175 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | V403 A404 H451 | S401-V403 PolarHBondContact O-N 2.84Å; S401-A404 WeakPolarHBondContact CB-O 3.26Å; S401-A404 PolarHBondContact N-O 3.24Å; S401-A404 PolarHBondContact O-N 3.44Å; S401-H451 PolarHBondContact O-CE1 3.03Å; S401-H451 PolarHBondContact O-ND1 3.37Å | ||
| 402 | L | 79.7 | Confident | 80.5 | Confident | 112 Ų | 112 | 36.6 Ų | 36.6 | 59% | 0.586 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.7 | -14.3 | 176.5 | -65.5 | 168.4 | 0 | 0 | 0 | 113 | E353 N452 | E353-L402 WeakPolarHBondContact OE1-CB 3.47Å; E353-L402 VanDerWaalsContact OE1-CD1 3.22Å; E353-L402 WeakPolarHBondContact OE1-CD1 3.35Å; L402-N452 PolarHBondContact O-ND2 3.45Å |
| 403 | V | 83.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -87.5 | -47.3 | 171.3 | -178 | 0 | 0 | 0 | 0 | 111.8 | L349 V352 E353 L356 S401 Y450 H451 M453 | L349-V403 WeakPolarHBondContact O-CG2 3.39Å; V352-V403 HydrophobicContact CG1-CG1 3.98Å; V352-V403 HydrophobicContact CG1-CG2 4.25Å; E353-V403 HydrophobicContact CB-CG2 3.66Å; E353-V403 HydrophobicContact CG-CG2 4.16Å; L356-V403 HydrophobicContact CD1-CG1 4.11Å; L356-V403 HydrophobicContact CD1-CG2 4.26Å; S401-V403 PolarHBondContact O-N 2.84Å; V403-Y450 HydrophobicContact CG1-CD1 4.35Å; V403-H451 PolarHBondContact O-N 3.23Å; V403-M453 HydrophobicContact CG1-CE 4.03Å |
| 404 | A | 87.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 154.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S401 F449 Y450 | S401-A404 WeakPolarHBondContact CB-O 3.26Å; S401-A404 PolarHBondContact N-O 3.24Å; S401-A404 PolarHBondContact O-N 3.44Å; A404-F449 CarbonylContact C-O 3.54Å; A404-F449 WeakPolarHBondContact CA-O 3.42Å; A404-F449 VanDerWaalsContact CB-O 3.31Å; A404-F449 WeakPolarHBondContact CB-O 3.29Å; A404-Y450 HydrophobicContact CB-CD1 3.86Å; A404-Y450 HydrophobicContact CB-CE1 4.39Å; A404-Y450 HydrophobicContact CB-CG 4.32Å |
| 405 | D | 89.9 | Confident | 81.4 | Confident | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.1 | 159.9 | -53.7 | -44.3 | 0 | 0 | 0 | 109.8 | T400 L448 F449 H451 | T400-D405 VanDerWaalsContact CB-OD1 3.28Å; T400-D405 WeakPolarHBondContact CB-OD1 3.49Å; T400-D405 WeakPolarHBondContact CG2-OD1 3.31Å; D405-L448 WeakPolarHBondContact O-CA 3.28Å; D405-F449 HydrophobicContact CB-CB 4.38Å; D405-F449 PolarHBondContact N-O 2.05Å; D405-F449 PolarHBondContact O-N 2.02Å; D405-H451 IonicContact OD1-CE1 3.58Å; D405-H451 PolarHBondContact OD1-CE1 3.24Å; D405-H451 IonicContact OD1-NE2 3.11Å; D405-H451 PolarHBondContact OD1-NE2 3.12Å; D405-H451 IonicContact OD2-CD2 2.65Å; D405-H451 IonicContact OD2-CE1 3.71Å; D405-H451 IonicContact OD2-NE2 2.63Å; D405-H451 PolarHBondContact OD2-NE2 3.04Å |
| 406 | Y | 90.5 | Very high | 81 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.4 | -177.6 | 62.9 | -90.6 | 0 | 0 | 0 | 113.4 | D342 T345 Q346 L349 M380 L397 G398 G399 L408 G447 | D342-Y406 PolarHBondContact OD1-OH 2.87Å; T345-Y406 HydrophobicContact CG2-CD1 4.34Å; T345-Y406 HydrophobicContact CG2-CD2 3.89Å; T345-Y406 HydrophobicContact CG2-CE1 4.07Å; T345-Y406 HydrophobicContact CG2-CE2 3.58Å; T345-Y406 HydrophobicContact CG2-CG 4.26Å; Q346-Y406 WeakPolarHBondContact CG-OH 3.4Å; L349-Y406 HydrophobicContact CD1-CD1 3.44Å; L349-Y406 VanDerWaalsContact CD1-CD1 3.44Å; L349-Y406 HydrophobicContact CD1-CE1 3.75Å; L349-Y406 HydrophobicContact CD1-CG 4.26Å; M380-Y406 VanDerWaalsContact CE-CB 3.45Å; M380-Y406 HydrophobicContact CE-CD1 4.45Å; M380-Y406 HydrophobicContact CE-CD2 4.04Å; M380-Y406 HydrophobicContact CE-CG 3.76Å; L397-Y406 HydrophobicContact CG-CE2 4.4Å; G398-Y406 WeakPolarHBondContact CA-O 3.31Å; G399-Y406 VanDerWaalsContact C-CE1 3.5Å; G399-Y406 PolarHBondContact N-O 3.17Å; G399-Y406 VanDerWaalsContact N-O 3.09Å; G399-Y406 VanDerWaalsContact O-CD1 3.27Å; G399-Y406 WeakPolarHBondContact O-CD1 3.39Å; G399-Y406 PolarHBondContact O-N 3.36Å; Y406-L408 HydrophobicContact CD2-CD1 4.43Å; Y406-L408 HydrophobicContact CD2-CG 4.23Å; Y406-G447 WeakPolarHBondContact CA-O 3.46Å |
| 407 | S | 89.7 | Confident | 80.7 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.7 | 169.2 | -176.4 | 0 | 0 | 0 | 0 | 110 | F422 V446 G447 | S407-F422 VanDerWaalsContact CB-CD2 3.48Å; S407-V446 WeakPolarHBondContact O-CA 3.47Å; S407-G447 PolarHBondContact N-O 2.99Å; S407-G447 PolarHBondContact O-N 3.3Å |
| 408 | L | 87.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 98.2 | -171.9 | -66.3 | -168.6 | 0 | 0 | 0 | 108.2 | T345 M380 M383 V384 L397 Y406 V446 | T345-L408 HydrophobicContact CG2-CD1 4.31Å; M380-L408 HydrophobicContact CB-CD2 4.04Å; M380-L408 HydrophobicContact CE-CD1 4.07Å; M380-L408 HydrophobicContact CE-CD2 3.93Å; M380-L408 HydrophobicContact CE-CG 4.22Å; M380-L408 HydrophobicContact SD-CD1 4.07Å; M380-L408 HydrophobicContact SD-CD2 4.23Å; M383-L408 HydrophobicContact CB-CD1 4.38Å; V384-L408 HydrophobicContact CG2-CB 3.61Å; V384-L408 HydrophobicContact CG2-CD1 4.36Å; V384-L408 HydrophobicContact CG2-CD2 3.71Å; V384-L408 HydrophobicContact CG2-CG 4.06Å; L397-L408 HydrophobicContact CB-CB 4.22Å; L397-L408 HydrophobicContact CD2-CD1 4.34Å; L397-L408 PolarHBondContact N-O 3.22Å; L397-L408 PolarHBondContact O-N 3.33Å; Y406-L408 HydrophobicContact CD2-CD1 4.43Å; Y406-L408 HydrophobicContact CD2-CG 4.23Å; L408-V446 HydrophobicContact CD2-CB 4.39Å; L408-V446 HydrophobicContact CD2-CG1 3.95Å; L408-V446 HydrophobicContact CD2-CG2 4.08Å |
| 409 | M | 83.6 | Confident | 80.2 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143.4 | -168.9 | -159.1 | -178.4 | -166.6 | 0 | 0 | 112.8 | V384 P394 F395 L411 Y420 T444 I445 | V384-M409 WeakPolarHBondContact CG1-O 3.1Å; P394-M409 HydrophobicContact CB-CE 4.2Å; F395-M409 CarbonylContact O-C 3.56Å; F395-M409 VanDerWaalsContact O-CA 3.27Å; F395-M409 WeakPolarHBondContact O-CA 3.25Å; F395-M409 WeakPolarHBondContact O-CG 3.25Å; M409-L411 HydrophobicContact CE-CD2 3.67Å; M409-L411 HydrophobicContact CG-CD2 4.3Å; M409-L411 HydrophobicContact SD-CD2 3.95Å; M409-Y420 HydrophobicContact SD-CD2 4.4Å; M409-Y420 HydrophobicContact SD-CE2 3.87Å; M409-T444 WeakPolarHBondContact O-CA 3.12Å; M409-I445 HydrophobicContact CB-CB 4.17Å; M409-I445 PolarHBondContact N-O 3.08Å; M409-I445 PolarHBondContact O-N 2.83Å |
| 410 | K | 83.8 | Confident | 80.3 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 112.8 | -179.8 | -161.2 | 166 | -168.1 | 162.2 | 0 | 109.1 | V384 T385 L387 F389 F395 Q442 T444 | V384-K410 HydrophobicContact CG1-CB 4.37Å; V384-K410 WeakPolarHBondContact O-CD 3.49Å; V384-K410 WeakPolarHBondContact O-CE 3.48Å; V384-K410 PolarHBondContact O-NZ 2.99Å; T385-K410 PolarHBondContact O-NZ 2.7Å; L387-K410 PolarHBondContact O-NZ 2.89Å; F389-K410 HydrophobicContact CB-CD 4.2Å; F389-K410 HydrophobicContact CD2-CB 4.16Å; F389-K410 HydrophobicContact CD2-CD 3.88Å; F389-K410 HydrophobicContact CD2-CG 3.82Å; F389-K410 HydrophobicContact CE2-CB 4.35Å; F389-K410 HydrophobicContact CE2-CG 4.16Å; F389-K410 HydrophobicContact CG-CD 4.25Å; F389-K410 HydrophobicContact CG-CG 4.5Å; F395-K410 HydrophobicContact CB-CB 4.48Å; F395-K410 PolarHBondContact N-O 3.44Å; F395-K410 PolarHBondContact O-N 2.98Å; K410-Q442 HydrophobicContact CG-CG 4.44Å; K410-T444 HydrophobicContact CG-CG2 4.38Å |
| 411 | L | 79.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 135.5 | -175 | -62.1 | 178.3 | 0 | 0 | 0 | 111 | P394 M409 F415 L417 Q442 T443 I445 | P394-L411 HydrophobicContact CB-CD2 4Å; M409-L411 HydrophobicContact CE-CD2 3.67Å; M409-L411 HydrophobicContact CG-CD2 4.3Å; M409-L411 HydrophobicContact SD-CD2 3.95Å; L411-F415 HydrophobicContact CD2-CD1 3.9Å; L411-F415 HydrophobicContact CD2-CE1 4.28Å; L411-L417 HydrophobicContact CD1-CD2 4.31Å; L411-Q442 WeakPolarHBondContact O-CG 3.28Å; L411-T443 PolarHBondContact N-O 2.91Å; L411-I445 HydrophobicContact CD1-CD1 3.96Å |
| 412 | P | 75.8 | Confident | 80.7 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 157.8 | 169.4 | 15.7 | -19.6 | 0 | 0 | 0 | 111.8 | F389 F415 | F389-P412 HydrophobicContact CE1-CB 4.47Å; F389-P412 HydrophobicContact CZ-CB 3.87Å; F389-P412 HydrophobicContact CZ-CG 4.27Å; P412-F415 HydrophobicContact CG-CB 3.96Å; P412-F415 HydrophobicContact CG-CD2 3.95Å; P412-F415 HydrophobicContact CG-CG 4.19Å; P412-F415 VanDerWaalsContact O-CB 3.22Å; P412-F415 WeakPolarHBondContact O-CB 3.2Å; P412-F415 PolarHBondContact O-N 2.92Å |
| 413 | Q | 72.6 | Confident | 81 | Confident | 134 Ų | 134 | 44.8 Ų | 44.8 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 142.1 | 171.1 | -67.7 | 171.5 | -4.4 | 0 | 0 | 110.3 | F415 Q442 | Q413-F415 PolarHBondContact O-N 3.16Å; Q413-Q442 HydrophobicContact CG-CB 4.47Å |
| 414 | N | 65.8 | Low | 80.8 | Confident | 116 Ų | 116 | 49.8 Ų | 49.8 | 62% | 0.62 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 18.1 | -177.8 | -54.6 | -29.2 | 0 | 0 | 0 | 115.2 | N416 H440 | N414-N416 PolarHBondContact O-N 3.31Å; N414-N416 VanDerWaalsContact O-N 3.16Å; N414-H440 PolarHBondContact OD1-ND1 3.4Å |
| 415 | F | 68.9 | Low | 80.4 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | trans | -76.7 | 99.9 | 174.3 | -167.8 | -92.6 | 0 | 0 | 0 | 111.2 | P394 L411 P412 Q413 L417 | P394-F415 HydrophobicContact CB-CE1 4.3Å; P394-F415 HydrophobicContact CB-CE2 4.22Å; P394-F415 HydrophobicContact CB-CZ 4.08Å; P394-F415 HydrophobicContact CG-CD2 4.45Å; P394-F415 HydrophobicContact CG-CE1 4.34Å; P394-F415 HydrophobicContact CG-CE2 3.71Å; P394-F415 HydrophobicContact CG-CZ 3.65Å; L411-F415 HydrophobicContact CD2-CD1 3.9Å; L411-F415 HydrophobicContact CD2-CE1 4.28Å; P412-F415 HydrophobicContact CG-CB 3.96Å; P412-F415 HydrophobicContact CG-CD2 3.95Å; P412-F415 HydrophobicContact CG-CG 4.19Å; P412-F415 VanDerWaalsContact O-CB 3.22Å; P412-F415 WeakPolarHBondContact O-CB 3.2Å; P412-F415 PolarHBondContact O-N 2.92Å; Q413-F415 PolarHBondContact O-N 3.16Å; F415-L417 HydrophobicContact CD1-CB 4.27Å; F415-L417 HydrophobicContact CE1-CB 4.37Å; F415-L417 HydrophobicContact CE1-CD1 4.01Å; F415-L417 PolarHBondContact O-N 3.33Å; F415-L417 VanDerWaalsContact O-N 3.07Å | ||
| 416 | N | 68.4 | Low | 79.9 | Confident | 139 Ų | 139 | 58.2 Ų | 58.2 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | trans | -71.9 | 101.3 | 178.4 | -173.4 | 8.1 | 0 | 0 | 0 | 111.1 | N414 | N414-N416 PolarHBondContact O-N 3.31Å; N414-N416 VanDerWaalsContact O-N 3.16Å | ||
| 417 | L | 72.5 | Confident | 79.6 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | trans | -98.1 | 108.9 | 176 | -173.8 | 77.5 | 0 | 0 | 0 | 109.3 | L411 F415 H419 Y420 G434 F437 | L411-L417 HydrophobicContact CD1-CD2 4.31Å; F415-L417 HydrophobicContact CD1-CB 4.27Å; F415-L417 HydrophobicContact CE1-CB 4.37Å; F415-L417 HydrophobicContact CE1-CD1 4.01Å; F415-L417 PolarHBondContact O-N 3.33Å; F415-L417 VanDerWaalsContact O-N 3.07Å; L417-H419 VanDerWaalsContact C-N 3.31Å; L417-H419 PolarHBondContact O-N 3.4Å; L417-Y420 HydrophobicContact CD2-CD2 3.97Å; L417-Y420 HydrophobicContact CD2-CG 4.35Å; L417-G434 WeakPolarHBondContact O-CA 3.42Å; L417-F437 HydrophobicContact CD2-CD2 4.18Å; L417-F437 HydrophobicContact CD2-CE2 4.24Å | ||
| 418 | P | 71.4 | Confident | 79.7 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -72.8 | -21.9 | -171.9 | 28.8 | -36 | 0 | 0 | 0 | 114.1 | G434 | P418-G434 VanDerWaalsContact O-CA 3.31Å; P418-G434 WeakPolarHBondContact O-CA 3.36Å; P418-G434 PolarHBondContact O-N 2.75Å |
| 419 | H | 80.8 | Confident | 79.9 | Confident | 93 Ų | 93 | 68.2 Ų | 68.2 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 142.7 | 177.6 | -175.2 | -91.8 | 0 | 0 | 0 | 109.5 | L417 R421 S431 | L417-H419 VanDerWaalsContact C-N 3.31Å; L417-H419 PolarHBondContact O-N 3.4Å; H419-R421 WeakPolarHBondContact CE1-CB 3.15Å; H419-S431 WeakPolarHBondContact CE1-CB 3.33Å; H419-S431 WeakPolarHBondContact NE2-CB 3.41Å; H419-S431 PolarHBondContact NE2-OG 2.77Å |
| 420 | Y | 85.1 | Confident | 80.2 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 6% | 0.059 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.3 | 168.4 | -173.8 | -97.7 | 0 | 0 | 0 | 110.8 | M409 L417 F422 S431 V432 F437 I445 L487 | M409-Y420 HydrophobicContact SD-CD2 4.4Å; M409-Y420 HydrophobicContact SD-CE2 3.87Å; L417-Y420 HydrophobicContact CD2-CD2 3.97Å; L417-Y420 HydrophobicContact CD2-CG 4.35Å; Y420-F422 HydrophobicContact CD1-CB 4.45Å; Y420-F422 HydrophobicContact CE1-CB 3.53Å; Y420-S431 WeakPolarHBondContact O-CA 3.44Å; Y420-V432 PolarHBondContact N-O 2.75Å; Y420-V432 PolarHBondContact O-N 2.61Å; Y420-F437 HydrophobicContact CG-CZ 4.27Å; Y420-I445 HydrophobicContact CD2-CD1 4.01Å; Y420-I445 HydrophobicContact CE1-CG2 3.84Å; Y420-I445 HydrophobicContact CE2-CD1 4.08Å; Y420-I445 HydrophobicContact CE2-CG2 4.27Å; Y420-I445 HydrophobicContact CG-CD1 4.39Å; Y420-L487 HydrophobicContact CD1-CD1 4.33Å; Y420-L487 HydrophobicContact CD1-CD2 3.9Å; Y420-L487 HydrophobicContact CE1-CD1 3.59Å; Y420-L487 HydrophobicContact CE1-CD2 3.92Å; Y420-L487 HydrophobicContact CE1-CG 4.43Å |
| 421 | R | 88.8 | Confident | 80.4 | Confident | 90 Ų | 90 | 67 Ų | 67 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.5 | 176 | -172.2 | -173.1 | 171.3 | 155.3 | -2.7 | 110.3 | H419 G426 Y429 I430 | H419-R421 WeakPolarHBondContact CE1-CB 3.15Å; R421-G426 PolarHBondContact NH2-O 2.73Å; R421-Y429 HydrophobicContact CG-CD2 3.97Å; R421-Y429 HydrophobicContact CG-CG 4.2Å; R421-I430 WeakPolarHBondContact CA-O 3.49Å |
| 422 | F | 89.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 134.4 | 172.7 | 172.5 | -92.4 | 0 | 0 | 0 | 112 | S407 Y420 Y429 I430 G447 L448 F449 I485 | S407-F422 VanDerWaalsContact CB-CD2 3.48Å; Y420-F422 HydrophobicContact CD1-CB 4.45Å; Y420-F422 HydrophobicContact CE1-CB 3.53Å; F422-Y429 CarbonylContact O-C 3.59Å; F422-Y429 VanDerWaalsContact O-CA 3.27Å; F422-Y429 WeakPolarHBondContact O-CA 3.32Å; F422-I430 PolarHBondContact N-O 3.46Å; F422-I430 PolarHBondContact O-N 2.68Å; F422-G447 WeakPolarHBondContact CZ-O 3.3Å; F422-L448 VanDerWaalsContact CE1-C 3.44Å; F422-L448 VanDerWaalsContact CZ-N 3.33Å; F422-F449 HydrophobicContact CE1-CB 3.94Å; F422-F449 HydrophobicContact CZ-CB 4.01Å; F422-I485 HydrophobicContact CD1-CG1 4.44Å; F422-I485 HydrophobicContact CE1-CG1 4.33Å |
| 423 | P | 87.3 | Confident | 80.9 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | S | Bend | cis | -55.5 | 156.7 | -17 | -27.3 | 36.3 | 0 | 0 | 0 | 113.2 | Q425 F449 | P423-Q425 VanDerWaalsContact C-N 3.26Å; P423-Q425 PolarHBondContact O-N 2.68Å; P423-F449 HydrophobicContact CG-CB 3.81Å; P423-F449 HydrophobicContact CG-CD1 4.29Å; P423-F449 HydrophobicContact CG-CG 4.04Å |
| 424 | T | 79.1 | Confident | 80.9 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -67.6 | -26.6 | -176.3 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 425 | Q | 77.8 | Confident | 81.2 | Confident | 162 Ų | 162 | 62.2 Ų | 62.2 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -130.1 | 163.3 | 176.7 | -63 | -173.9 | -4.5 | 0 | 0 | 110.8 | P423 | P423-Q425 VanDerWaalsContact C-N 3.26Å; P423-Q425 PolarHBondContact O-N 2.68Å |
| 426 | G | 80.1 | Confident | 81.2 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 97.7 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | R421 | R421-G426 PolarHBondContact NH2-O 2.73Š|
| 427 | K | 84.3 | Confident | 81.3 | Confident | 167 Ų | 167 | 52.8 Ų | 52.8 | 73% | 0.726 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -85.3 | -24.7 | -171.9 | -61.4 | -175.1 | -179.8 | -177.9 | 0 | 114.1 | T510 | K427-T510 HydrophobicContact CB-CG2 3.61Å; K427-T510 HydrophobicContact CD-CG2 4.31Å |
| 428 | N | 90.9 | Very high | 80.8 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | trans | -89.6 | 128.6 | 172.3 | -62.8 | -70.4 | 0 | 0 | 0 | 108.5 | F449 V508 L509 T510 | N428-F449 HydrophobicContact CB-CD2 4.45Å; N428-F449 HydrophobicContact CB-CE2 3.62Å; N428-F449 HydrophobicContact CB-CZ 3.71Å; N428-V508 CarbonylContact C-O 3.37Å; N428-V508 WeakPolarHBondContact CA-O 3.34Å; N428-L509 HydrophobicContact CB-CD2 4.16Å; N428-L509 WeakPolarHBondContact OD1-CA 2.93Å; N428-T510 PolarHBondContact ND2-OG1 2.93Å; N428-T510 VanDerWaalsContact ND2-OG1 3.08Å; N428-T510 PolarHBondContact OD1-N 2.8Å; N428-T510 PolarHBondContact OD1-OG1 3.44Å | ||
| 429 | Y | 91.9 | Very high | 80.2 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 149.2 | 173.1 | 62.8 | -83.5 | 0 | 0 | 0 | 113.4 | R421 F422 V508 | R421-Y429 HydrophobicContact CG-CD2 3.97Å; R421-Y429 HydrophobicContact CG-CG 4.2Å; F422-Y429 CarbonylContact O-C 3.59Å; F422-Y429 VanDerWaalsContact O-CA 3.27Å; F422-Y429 WeakPolarHBondContact O-CA 3.32Å; Y429-V508 HydrophobicContact CD1-CB 4.13Å; Y429-V508 HydrophobicContact CE1-CB 3.78Å; Y429-V508 HydrophobicContact CE1-CG1 4.26Å; Y429-V508 HydrophobicContact CE1-CG2 3.9Å; Y429-V508 HydrophobicContact CE2-CG2 4.1Å; Y429-V508 PolarHBondContact N-O 3.08Å; Y429-V508 PolarHBondContact O-N 3.4Å |
| 430 | I | 90.8 | Very high | 79.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 140.9 | 156.9 | -62.7 | 167.3 | 0 | 0 | 0 | 108.2 | R421 F422 V432 I485 L487 I505 I507 F569 | R421-I430 WeakPolarHBondContact CA-O 3.49Å; F422-I430 PolarHBondContact N-O 3.46Å; F422-I430 PolarHBondContact O-N 2.68Å; I430-V432 HydrophobicContact CG2-CG2 4.02Å; I430-I485 HydrophobicContact CD1-CB 4.42Å; I430-I485 HydrophobicContact CD1-CD1 4.32Å; I430-I485 HydrophobicContact CD1-CG1 3.82Å; I430-I485 HydrophobicContact CD1-CG2 4.03Å; I430-I485 HydrophobicContact CG1-CD1 3.93Å; I430-I485 HydrophobicContact CG1-CG1 3.99Å; I430-I485 HydrophobicContact CG1-CG2 4.04Å; I430-L487 HydrophobicContact CB-CD2 4.24Å; I430-L487 HydrophobicContact CD1-CB 3.55Å; I430-L487 HydrophobicContact CG2-CB 4.4Å; I430-L487 HydrophobicContact CG2-CD2 3.65Å; I430-I505 HydrophobicContact CG2-CG2 3.84Å; I430-I507 HydrophobicContact CG1-CB 4.48Å; I430-I507 HydrophobicContact CG1-CD1 4.28Å; I430-I507 HydrophobicContact CG1-CG1 4.09Å; I430-I507 HydrophobicContact CG1-CG2 3.88Å; I430-I507 HydrophobicContact CG2-CG1 4.42Å; I430-F569 HydrophobicContact CD1-CD2 3.95Å; I430-F569 HydrophobicContact CD1-CE2 4.3Å |
| 431 | S | 88.4 | Confident | 78.4 | Confident | 11 Ų | 11 | 57 Ų | 57 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.1 | 179 | 147.7 | 0 | 0 | 0 | 0 | 109 | H419 Y420 K506 | H419-S431 WeakPolarHBondContact CE1-CB 3.33Å; H419-S431 WeakPolarHBondContact NE2-CB 3.41Å; H419-S431 PolarHBondContact NE2-OG 2.77Å; Y420-S431 WeakPolarHBondContact O-CA 3.44Å; S431-K506 WeakPolarHBondContact CB-O 3.48Å; S431-K506 PolarHBondContact N-O 3.31Å; S431-K506 PolarHBondContact O-N 3.24Å |
| 432 | V | 84.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.2 | 178 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | Y420 I430 A436 F437 L487 I505 L566 | Y420-V432 PolarHBondContact N-O 2.75Å; Y420-V432 PolarHBondContact O-N 2.61Å; I430-V432 HydrophobicContact CG2-CG2 4.02Å; V432-A436 HydrophobicContact CG1-CB 3.77Å; V432-F437 HydrophobicContact CB-CE2 3.85Å; V432-F437 HydrophobicContact CB-CZ 4.03Å; V432-F437 HydrophobicContact CG1-CD2 4.48Å; V432-F437 HydrophobicContact CG1-CE2 3.56Å; V432-F437 HydrophobicContact CG1-CZ 3.78Å; V432-L487 HydrophobicContact CG2-CD2 3.54Å; V432-I505 HydrophobicContact CG1-CG1 4.49Å; V432-I505 HydrophobicContact CG2-CG1 4.44Å; V432-I505 HydrophobicContact CG2-CG2 4.35Å; V432-L566 HydrophobicContact CG2-CD2 4.02Å |
| 433 | P | 80.6 | Confident | 77.3 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 16% | 0.156 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 151.9 | -178.9 | 34.1 | -37.4 | 0 | 0 | 0 | 111.4 | E435 A436 L504 | P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 WeakPolarHBondContact CB-OE2 3.38Å; P433-E435 PolarHBondContact O-N 3.32Å; P433-A436 WeakPolarHBondContact O-CB 3.23Å; P433-A436 PolarHBondContact O-N 2.79Å; P433-A436 VanDerWaalsContact O-N 3.16Å; P433-L504 WeakPolarHBondContact CD-O 3.4Å; P433-L504 HydrophobicContact CG-CB 4.18Å; P433-L504 HydrophobicContact CG-CD2 4.33Å; P433-L504 WeakPolarHBondContact CG-O 3.21Å |
| 434 | G | 72.8 | Confident | 77.2 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.8 | -28.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L417 P418 A436 F437 | L417-G434 WeakPolarHBondContact O-CA 3.42Å; P418-G434 VanDerWaalsContact O-CA 3.31Å; P418-G434 WeakPolarHBondContact O-CA 3.36Å; P418-G434 PolarHBondContact O-N 2.75Å; G434-A436 PolarHBondContact O-N 2.72Å; G434-A436 VanDerWaalsContact O-N 3.15Å; G434-F437 PolarHBondContact O-N 2.76Å |
| 435 | E | 71.7 | Confident | 77.6 | Confident | 145 Ų | 145 | 51.2 Ų | 51.2 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.9 | 176.5 | -63.5 | 84.6 | 167.8 | 0 | 0 | 112.5 | P433 F437 A438 | P433-E435 VanDerWaalsContact C-N 3.25Å; P433-E435 WeakPolarHBondContact CB-OE2 3.38Å; P433-E435 PolarHBondContact O-N 3.32Å; E435-F437 VanDerWaalsContact C-N 3.31Å; E435-F437 PolarHBondContact O-N 2.84Å; E435-A438 WeakPolarHBondContact O-CB 3.41Å |
| 436 | A | 68.2 | Low | 78.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -66.5 | -32 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V432 P433 G434 A438 P493 L495 | V432-A436 HydrophobicContact CG1-CB 3.77Å; P433-A436 WeakPolarHBondContact O-CB 3.23Å; P433-A436 PolarHBondContact O-N 2.79Å; P433-A436 VanDerWaalsContact O-N 3.16Å; G434-A436 PolarHBondContact O-N 2.72Å; G434-A436 VanDerWaalsContact O-N 3.15Å; A436-A438 VanDerWaalsContact C-N 3.35Å; A436-P493 HydrophobicContact CB-CB 3.94Å; A436-P493 HydrophobicContact CB-CG 4.43Å; A436-P493 WeakPolarHBondContact O-CB 3.32Å; A436-L495 HydrophobicContact CB-CD2 4.12Å |
| 437 | F | 71.6 | Confident | 78.7 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -90.8 | 8.5 | -175.8 | -59.2 | -76.3 | 0 | 0 | 0 | 113.6 | L417 Y420 V432 G434 E435 I439 T443 I445 V489 | L417-F437 HydrophobicContact CD2-CD2 4.18Å; L417-F437 HydrophobicContact CD2-CE2 4.24Å; Y420-F437 HydrophobicContact CG-CZ 4.27Å; V432-F437 HydrophobicContact CB-CE2 3.85Å; V432-F437 HydrophobicContact CB-CZ 4.03Å; V432-F437 HydrophobicContact CG1-CD2 4.48Å; V432-F437 HydrophobicContact CG1-CE2 3.56Å; V432-F437 HydrophobicContact CG1-CZ 3.78Å; G434-F437 PolarHBondContact O-N 2.76Å; E435-F437 VanDerWaalsContact C-N 3.31Å; E435-F437 PolarHBondContact O-N 2.84Å; F437-I439 PolarHBondContact O-N 2.87Å; F437-T443 HydrophobicContact CD1-CG2 4.31Å; F437-I445 HydrophobicContact CD1-CD1 4.31Å; F437-I445 HydrophobicContact CE1-CD1 3.57Å; F437-I445 HydrophobicContact CE1-CG1 4.28Å; F437-I445 HydrophobicContact CZ-CD1 4.04Å; F437-V489 HydrophobicContact CD1-CG1 4.45Å; F437-V489 HydrophobicContact CE1-CG1 3.96Å; F437-V489 HydrophobicContact CE1-CG2 4.05Å; F437-V489 HydrophobicContact CZ-CG2 4.48Å |
| 438 | A | 60.2 | Low | 79.1 | Confident | 76 Ų | 76 | 33.3 Ų | 33.3 | 63% | 0.628 | 18% | 0.18 | S | C | * | . | trans | -71.2 | 22.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | E435 A436 | E435-A438 WeakPolarHBondContact O-CB 3.41Å; A436-A438 VanDerWaalsContact C-N 3.35Å | ||
| 439 | I | 60.3 | Low | 79.1 | Confident | 48 Ų | 48 | 33 Ų | 33 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | trans | -88.5 | 135.1 | -179.7 | -49.5 | 166 | 0 | 0 | 0 | 109.9 | F437 T441 P491 | F437-I439 PolarHBondContact O-N 2.87Å; I439-T441 HydrophobicContact CG2-CG2 3.96Å; I439-T441 WeakPolarHBondContact CG2-OG1 3.08Å; I439-T441 PolarHBondContact O-N 3.36Å; I439-P491 HydrophobicContact CD1-CG 4.19Å | ||
| 440 | H | 59 | Low | 79 | Confident | 148 Ų | 148 | 30.9 Ų | 30.9 | 69% | 0.685 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -72.9 | 34.3 | 175.9 | -61.3 | -64.7 | 0 | 0 | 0 | 114.7 | N414 | N414-H440 PolarHBondContact OD1-ND1 3.4Š|
| 441 | T | 68.9 | Low | 78.8 | Confident | 55 Ų | 55 | 33.4 Ų | 33.4 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -122.4 | 163.5 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | I439 T443 P491 | I439-T441 HydrophobicContact CG2-CG2 3.96Å; I439-T441 WeakPolarHBondContact CG2-OG1 3.08Å; I439-T441 PolarHBondContact O-N 3.36Å; T441-T443 PolarHBondContact O-N 2.93Å; T441-P491 WeakPolarHBondContact OG1-CG 3.42Å |
| 442 | Q | 74.1 | Confident | 78.6 | Confident | 76 Ų | 76 | 35.5 Ų | 35.5 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | trans | -69 | 123.7 | 165.5 | 166.1 | 160.4 | 81.5 | 0 | 0 | 108.3 | K410 L411 Q413 | K410-Q442 HydrophobicContact CG-CG 4.44Å; L411-Q442 WeakPolarHBondContact O-CG 3.28Å; Q413-Q442 HydrophobicContact CG-CB 4.47Å | ||
| 443 | T | 81.4 | Confident | 78.5 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.2 | -179.9 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | L411 F437 T441 I445 V489 E490 | L411-T443 PolarHBondContact N-O 2.91Å; F437-T443 HydrophobicContact CD1-CG2 4.31Å; T441-T443 PolarHBondContact O-N 2.93Å; T443-I445 HydrophobicContact CG2-CG1 4.21Å; T443-V489 HydrophobicContact CG2-CG1 3.56Å; T443-E490 WeakPolarHBondContact CA-O 3.4Å |
| 444 | T | 85.3 | Confident | 78.6 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 143.5 | 170.9 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | V384 T385 M409 K410 V489 E490 | V384-T444 HydrophobicContact CG1-CG2 3.61Å; T385-T444 HydrophobicContact CG2-CG2 4.48Å; M409-T444 WeakPolarHBondContact O-CA 3.12Å; K410-T444 HydrophobicContact CG-CG2 4.38Å; T444-V489 WeakPolarHBondContact O-CA 3.13Å; T444-E490 PolarHBondContact N-O 2.98Å; T444-E490 PolarHBondContact O-N 3.39Å; T444-E490 WeakPolarHBondContact OG1-CB 3.3Å; T444-E490 PolarHBondContact OG1-O 3.32Å |
| 445 | I | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.6 | 178.5 | -49.7 | -179.8 | 0 | 0 | 0 | 108.8 | M409 L411 Y420 F437 T443 L487 K488 V489 | M409-I445 HydrophobicContact CB-CB 4.17Å; M409-I445 PolarHBondContact N-O 3.08Å; M409-I445 PolarHBondContact O-N 2.83Å; L411-I445 HydrophobicContact CD1-CD1 3.96Å; Y420-I445 HydrophobicContact CD2-CD1 4.01Å; Y420-I445 HydrophobicContact CE1-CG2 3.84Å; Y420-I445 HydrophobicContact CE2-CD1 4.08Å; Y420-I445 HydrophobicContact CE2-CG2 4.27Å; Y420-I445 HydrophobicContact CG-CD1 4.39Å; F437-I445 HydrophobicContact CD1-CD1 4.31Å; F437-I445 HydrophobicContact CE1-CD1 3.57Å; F437-I445 HydrophobicContact CE1-CG1 4.28Å; F437-I445 HydrophobicContact CZ-CD1 4.04Å; T443-I445 HydrophobicContact CG2-CG1 4.21Å; I445-L487 HydrophobicContact CG2-CD1 3.44Å; I445-L487 VanDerWaalsContact CG2-CD1 3.44Å; I445-K488 WeakPolarHBondContact CA-O 3.11Å; I445-V489 HydrophobicContact CG1-CG2 4.24Å; I445-V489 HydrophobicContact CG2-CG2 4.12Å |
| 446 | V | 89.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109.5 | 175.2 | 176 | 0 | 0 | 0 | 0 | 108 | M380 V384 S407 L408 L448 L487 K488 | M380-V446 HydrophobicContact CB-CG1 3.68Å; V384-V446 HydrophobicContact CB-CG2 4.45Å; V384-V446 HydrophobicContact CG2-CG2 3.86Å; S407-V446 WeakPolarHBondContact O-CA 3.47Å; L408-V446 HydrophobicContact CD2-CB 4.39Å; L408-V446 HydrophobicContact CD2-CG1 3.95Å; L408-V446 HydrophobicContact CD2-CG2 4.08Å; V446-L448 HydrophobicContact CG1-CD1 3.92Å; V446-L448 HydrophobicContact CG1-CG 4.25Å; V446-L487 CarbonylContact O-C 3.6Å; V446-L487 WeakPolarHBondContact O-CA 3.29Å; V446-K488 HydrophobicContact CB-CB 4.36Å; V446-K488 PolarHBondContact N-O 3.21Å; V446-K488 PolarHBondContact O-N 2.97Å |
| 447 | G | 91.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y406 S407 F422 | Y406-G447 WeakPolarHBondContact CA-O 3.46Å; S407-G447 PolarHBondContact N-O 2.99Å; S407-G447 PolarHBondContact O-N 3.3Å; F422-G447 WeakPolarHBondContact CZ-O 3.3Å |
| 448 | L | 91.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.5 | 177.6 | -73.2 | 156.3 | 0 | 0 | 0 | 110.3 | V376 D377 M380 D405 F422 V446 Y450 S486 | V376-L448 HydrophobicContact CG1-CD1 3.85Å; V376-L448 HydrophobicContact CG1-CD2 4.13Å; D377-L448 WeakPolarHBondContact OD1-CD1 3.2Å; M380-L448 HydrophobicContact CB-CD1 4.35Å; M380-L448 HydrophobicContact CE-CD2 3.77Å; M380-L448 HydrophobicContact CG-CD1 4.2Å; M380-L448 HydrophobicContact CG-CD2 4.35Å; D405-L448 WeakPolarHBondContact O-CA 3.28Å; F422-L448 VanDerWaalsContact CE1-C 3.44Å; F422-L448 VanDerWaalsContact CZ-N 3.33Å; V446-L448 HydrophobicContact CG1-CD1 3.92Å; V446-L448 HydrophobicContact CG1-CG 4.25Å; L448-Y450 HydrophobicContact CB-CE2 4Å; L448-S486 PolarHBondContact N-O 3.37Å; L448-S486 PolarHBondContact O-N 3.36Å |
| 449 | F | 92.4 | Very high | 80.6 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 102.7 | 178.5 | 177.2 | -113.2 | 0 | 0 | 0 | 109.9 | A404 D405 F422 P423 N428 H451 C483 I485 | A404-F449 CarbonylContact C-O 3.54Å; A404-F449 WeakPolarHBondContact CA-O 3.42Å; A404-F449 VanDerWaalsContact CB-O 3.31Å; A404-F449 WeakPolarHBondContact CB-O 3.29Å; D405-F449 HydrophobicContact CB-CB 4.38Å; D405-F449 PolarHBondContact N-O 2.05Å; D405-F449 PolarHBondContact O-N 2.02Å; F422-F449 HydrophobicContact CE1-CB 3.94Å; F422-F449 HydrophobicContact CZ-CB 4.01Å; P423-F449 HydrophobicContact CG-CB 3.81Å; P423-F449 HydrophobicContact CG-CD1 4.29Å; P423-F449 HydrophobicContact CG-CG 4.04Å; N428-F449 HydrophobicContact CB-CD2 4.45Å; N428-F449 HydrophobicContact CB-CE2 3.62Å; N428-F449 HydrophobicContact CB-CZ 3.71Å; F449-H451 AromaticContact CD1-CD2 3.8Å; F449-H451 AromaticContact CD1-NE2 3.92Å; F449-H451 AromaticContact CE1-CD2 3.81Å; F449-C483 HydrophobicContact CD2-CB 4.47Å; F449-C483 HydrophobicContact CE2-CB 3.53Å; F449-C483 HydrophobicContact CZ-CB 3.58Å; F449-I485 HydrophobicContact CD2-CB 3.94Å; F449-I485 HydrophobicContact CD2-CD1 3.97Å; F449-I485 HydrophobicContact CD2-CG1 3.96Å |
| 450 | Y | 90 | Very high | 81.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.4 | -168.7 | -63.1 | -84.6 | 0 | 0 | 0 | 111.9 | I373 V376 D377 V403 A404 L448 M453 C483 L484 | I373-Y450 HydrophobicContact CG2-CE2 4.12Å; V376-Y450 HydrophobicContact CG1-CE1 4.24Å; V376-Y450 WeakPolarHBondContact CG1-OH 3.43Å; D377-Y450 PolarHBondContact OD1-OH 2.65Å; V403-Y450 HydrophobicContact CG1-CD1 4.35Å; A404-Y450 HydrophobicContact CB-CD1 3.86Å; A404-Y450 HydrophobicContact CB-CE1 4.39Å; A404-Y450 HydrophobicContact CB-CG 4.32Å; L448-Y450 HydrophobicContact CB-CE2 4Å; Y450-M453 HydrophobicContact CD1-CE 4.09Å; Y450-M453 HydrophobicContact CD1-CG 3.6Å; Y450-M453 HydrophobicContact CE1-CE 4.15Å; Y450-M453 HydrophobicContact CE1-CG 4.39Å; Y450-M453 HydrophobicContact CG-CB 4.45Å; Y450-M453 HydrophobicContact CG-CG 3.83Å; Y450-C483 WeakPolarHBondContact O-CB 2.98Å; Y450-L484 HydrophobicContact CD2-CB 4.07Å; Y450-L484 PolarHBondContact N-O 2.84Å |
| 451 | H | 86.1 | Confident | 82.8 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -72.3 | -40.5 | -178.9 | -49.4 | 134 | 0 | 0 | 0 | 112.4 | S401 V403 D405 F449 H454 | S401-H451 PolarHBondContact O-CE1 3.03Å; S401-H451 PolarHBondContact O-ND1 3.37Å; V403-H451 PolarHBondContact O-N 3.23Å; D405-H451 IonicContact OD1-CE1 3.58Å; D405-H451 PolarHBondContact OD1-CE1 3.24Å; D405-H451 IonicContact OD1-NE2 3.11Å; D405-H451 PolarHBondContact OD1-NE2 3.12Å; D405-H451 IonicContact OD2-CD2 2.65Å; D405-H451 IonicContact OD2-CE1 3.71Å; D405-H451 IonicContact OD2-NE2 2.63Å; D405-H451 PolarHBondContact OD2-NE2 3.04Å; F449-H451 AromaticContact CD1-CD2 3.8Å; F449-H451 AromaticContact CD1-NE2 3.92Å; F449-H451 AromaticContact CE1-CD2 3.81Å; H451-H454 PolarHBondContact O-CE1 3.48Å; H451-H454 PolarHBondContact O-ND1 3.11Å |
| 452 | N | 83.5 | Confident | 83.5 | Confident | 55 Ų | 55 | 32.5 Ų | 32.5 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -105.9 | -23.2 | -167.2 | -78.2 | -55.7 | 0 | 0 | 0 | 115.5 | L402 H454 K455 | L402-N452 PolarHBondContact O-ND2 3.45Å; N452-H454 PolarHBondContact O-N 3.08Å; N452-H454 VanDerWaalsContact O-N 3.11Å; N452-K455 WeakPolarHBondContact O-CB 3.08Å; N452-K455 WeakPolarHBondContact O-CG 3.25Å; N452-K455 PolarHBondContact O-N 2.89Å; N452-K455 VanDerWaalsContact O-N 3.12Å; N452-K455 WeakPolarHBondContact OD1-CE 3.32Å; N452-K455 PolarHBondContact OD1-NZ 3.11Å |
| 453 | M | 82.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -58 | -31 | -173.7 | -64.2 | -59.4 | -162.6 | 0 | 0 | 114.3 | V352 L356 V369 L372 I373 V403 Y450 K455 Y456 L484 | V352-M453 HydrophobicContact CG1-CE 4.29Å; L356-M453 HydrophobicContact CD1-CE 3.88Å; L356-M453 HydrophobicContact CD1-SD 3.86Å; L356-M453 HydrophobicContact CD2-CE 4.45Å; L356-M453 HydrophobicContact CD2-SD 3.91Å; V369-M453 HydrophobicContact CG1-CB 4.42Å; V369-M453 HydrophobicContact CG1-SD 3.89Å; L372-M453 HydrophobicContact CD2-CE 4.22Å; L372-M453 HydrophobicContact CG-CE 4.27Å; I373-M453 HydrophobicContact CD1-CB 4.3Å; I373-M453 HydrophobicContact CD1-CG 4.32Å; I373-M453 HydrophobicContact CG1-CE 4.12Å; I373-M453 HydrophobicContact CG1-CG 4.19Å; I373-M453 HydrophobicContact CG1-SD 4.39Å; V403-M453 HydrophobicContact CG1-CE 4.03Å; Y450-M453 HydrophobicContact CD1-CE 4.09Å; Y450-M453 HydrophobicContact CD1-CG 3.6Å; Y450-M453 HydrophobicContact CE1-CE 4.15Å; Y450-M453 HydrophobicContact CE1-CG 4.39Å; Y450-M453 HydrophobicContact CG-CB 4.45Å; Y450-M453 HydrophobicContact CG-CG 3.83Å; M453-K455 PolarHBondContact O-N 2.78Å; M453-K455 VanDerWaalsContact O-N 3.14Å; M453-Y456 PolarHBondContact O-N 3.07Å; M453-L484 HydrophobicContact CB-CD2 4.35Å |
| 454 | H | 83.6 | Confident | 84 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.4 | -23.3 | -179.8 | 71.8 | -92.7 | 0 | 0 | 0 | 113.8 | H451 N452 Y456 I480 S482 L484 | H451-H454 PolarHBondContact O-CE1 3.48Å; H451-H454 PolarHBondContact O-ND1 3.11Å; N452-H454 PolarHBondContact O-N 3.08Å; N452-H454 VanDerWaalsContact O-N 3.11Å; H454-Y456 VanDerWaalsContact C-N 3.29Å; H454-Y456 PolarHBondContact O-N 2.98Å; H454-I480 HydrophobicContact CB-CG2 3.97Å; H454-S482 VanDerWaalsContact CB-O 3.25Å; H454-S482 WeakPolarHBondContact CB-O 3.44Å; H454-L484 HydrophobicContact CB-CD1 3.72Å |
| 455 | K | 81.6 | Confident | 84 | Confident | 116 Ų | 116 | 41 Ų | 41 | 50% | 0.504 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -72.3 | -19.1 | -173.8 | -63.7 | 175.2 | 177.9 | 172.3 | 0 | 114.2 | N452 M453 | N452-K455 WeakPolarHBondContact O-CB 3.08Å; N452-K455 WeakPolarHBondContact O-CG 3.25Å; N452-K455 PolarHBondContact O-N 2.89Å; N452-K455 VanDerWaalsContact O-N 3.12Å; N452-K455 WeakPolarHBondContact OD1-CE 3.32Å; N452-K455 PolarHBondContact OD1-NZ 3.11Å; M453-K455 PolarHBondContact O-N 2.78Å; M453-K455 VanDerWaalsContact O-N 3.14Å |
| 456 | Y | 80.1 | Confident | 83.9 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -31 | -178.1 | -61.1 | -87.9 | 0 | 0 | 0 | 112.1 | L356 L361 A365 V369 M453 H454 K458 | L356-Y456 HydrophobicContact CD2-CE2 3.87Å; L356-Y456 PolarHBondContact O-OH 3.35Å; L361-Y456 HydrophobicContact CD2-CD1 4.16Å; L361-Y456 HydrophobicContact CD2-CE1 3.74Å; A365-Y456 HydrophobicContact CB-CD1 4.34Å; V369-Y456 HydrophobicContact CG2-CD1 4.3Å; V369-Y456 HydrophobicContact CG2-CD2 4.2Å; V369-Y456 HydrophobicContact CG2-CG 3.85Å; M453-Y456 PolarHBondContact O-N 3.07Å; H454-Y456 VanDerWaalsContact C-N 3.29Å; H454-Y456 PolarHBondContact O-N 2.98Å; Y456-K458 VanDerWaalsContact C-N 3.29Å; Y456-K458 PolarHBondContact O-N 3.03Å |
| 457 | Y | 78.2 | Confident | 83.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | trans | -80.4 | 64.6 | -179.6 | -63.7 | -76.4 | 0 | 0 | 0 | 112.9 | D366 V369 S370 I373 I480 L484 W544 | D366-Y457 HydrophobicContact CB-CD1 4.14Å; D366-Y457 HydrophobicContact CB-CE1 4.03Å; D366-Y457 WeakPolarHBondContact OD1-CD1 3.46Å; V369-Y457 HydrophobicContact CB-CE2 4.45Å; V369-Y457 HydrophobicContact CG1-CE2 3.71Å; S370-Y457 WeakPolarHBondContact CA-OH 3.44Å; S370-Y457 PolarHBondContact N-OH 3.3Å; S370-Y457 PolarHBondContact OG-OH 2.78Å; I373-Y457 HydrophobicContact CD1-CE2 4.39Å; Y457-I480 VanDerWaalsContact CB-CD1 3.46Å; Y457-I480 HydrophobicContact CD2-CD1 3.6Å; Y457-I480 HydrophobicContact CE2-CD1 4.48Å; Y457-I480 HydrophobicContact CG-CD1 3.66Å; Y457-I480 HydrophobicContact CG-CG1 4.46Å; Y457-L484 HydrophobicContact CE2-CD2 4.36Å; Y457-W544 HydrophobicContact CE2-CZ2 4.36Å | ||
| 458 | K | 69.1 | Low | 83.1 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 47% | 0.465 | 24% | 0.24 | S | C | . | . | trans | -74.3 | -36.5 | -174.3 | -65 | -176.4 | -177.2 | -177 | 0 | 114.9 | E363 Y456 Q479 | E363-K458 IonicContact OE1-NZ 3.94Å; E363-K458 PolarHBondContact OE1-NZ 2.92Å; Y456-K458 VanDerWaalsContact C-N 3.29Å; Y456-K458 PolarHBondContact O-N 3.03Å; K458-Q479 WeakPolarHBondContact O-CG 3.5Å | ||
| 459 | E | 76.4 | Confident | 82.5 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | trans | -143.9 | 76 | -174.9 | -70.7 | -164.7 | 178.7 | 0 | 0 | 113.5 | S461 K477 | E459-S461 PolarHBondContact O-N 2.95Å; E459-K477 HydrophobicContact CB-CD 4.48Å; E459-K477 HydrophobicContact CB-CG 4.32Å; E459-K477 HydrophobicContact CG-CG 4.36Å; E459-K477 IonicContact OE2-NZ 2.63Å; E459-K477 PolarHBondContact OE2-NZ 3.25Å | ||
| 460 | I | 83.3 | Confident | 81.9 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 124.4 | 173.4 | -59.3 | 162.2 | 0 | 0 | 0 | 108.9 | T465 I478 I480 W544 L572 | I460-T465 HydrophobicContact CG2-CG2 3.48Å; I460-T465 VanDerWaalsContact CG2-CG2 3.48Å; I460-I478 HydrophobicContact CB-CB 4.18Å; I460-I478 WeakPolarHBondContact CB-O 3.31Å; I460-I478 PolarHBondContact N-O 3.11Å; I460-I478 PolarHBondContact O-N 3.21Å; I460-I480 HydrophobicContact CD1-CD1 4.27Å; I460-I480 HydrophobicContact CD1-CG1 3.83Å; I460-W544 HydrophobicContact CD1-CG 4.36Å; I460-L572 HydrophobicContact CD1-CD2 4.17Å; I460-L572 HydrophobicContact CD1-CG 4.31Å |
| 461 | S | 81.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | trans | -76.5 | 128.1 | 173.5 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | E459 V463 K464 | E459-S461 PolarHBondContact O-N 2.95Å; S461-V463 PolarHBondContact O-N 2.74Å; S461-V463 VanDerWaalsContact O-N 3.12Å; S461-K464 PolarHBondContact O-N 3.22Å | ||
| 462 | P | 84.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.1 | -180 | -23.2 | 30 | 0 | 0 | 0 | 113.5 | K464 T465 A470 H476 I478 | P462-K464 PolarHBondContact O-N 2.93Å; P462-T465 PolarHBondContact O-N 3.5Å; P462-T465 PolarHBondContact O-OG1 2.84Å; P462-A470 HydrophobicContact CB-CB 4.27Å; P462-A470 WeakPolarHBondContact CB-O 3.34Å; P462-H476 WeakPolarHBondContact CG-O 3.2Å; P462-I478 HydrophobicContact CB-CD1 4.15Å; P462-I478 HydrophobicContact CB-CG1 4.45Å; P462-I478 HydrophobicContact CG-CD1 4.21Å; P462-I478 HydrophobicContact CG-CG1 3.96Å |
| 463 | V | 82.8 | Confident | 80.6 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 58% | 0.576 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -69.4 | -18 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | S461 K474 | S461-V463 PolarHBondContact O-N 2.74Å; S461-V463 VanDerWaalsContact O-N 3.12Å; V463-K474 HydrophobicContact CG2-CB 4.03Å; V463-K474 HydrophobicContact CG2-CD 4.09Å; V463-K474 HydrophobicContact CG2-CG 4.03Å |
| 464 | K | 82.9 | Confident | 80.3 | Confident | 167 Ų | 167 | 68.3 Ų | 68.3 | 73% | 0.726 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -88.8 | 4.4 | 170.9 | -70.2 | -166.9 | 173.1 | -166.7 | 0 | 113.4 | S461 P462 | S461-K464 PolarHBondContact O-N 3.22Å; P462-K464 PolarHBondContact O-N 2.93Å |
| 465 | T | 84.9 | Confident | 80 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -113.7 | 153.3 | -179.1 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | I460 P462 I467 I478 W544 | I460-T465 HydrophobicContact CG2-CG2 3.48Å; I460-T465 VanDerWaalsContact CG2-CG2 3.48Å; P462-T465 PolarHBondContact O-N 3.5Å; P462-T465 PolarHBondContact O-OG1 2.84Å; T465-I467 PolarHBondContact O-N 2.9Å; T465-I467 PolarHBondContact OG1-N 3.14Å; T465-I478 HydrophobicContact CG2-CD1 4.15Å; T465-W544 CarbonylContact C-O 3.58Å; T465-W544 WeakPolarHBondContact CA-O 3.3Å; T465-W544 WeakPolarHBondContact CB-O 3.28Å; T465-W544 HydrophobicContact CG2-CB 4.06Å |
| 466 | R | 85.2 | Confident | 80 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -81.2 | 16.1 | 168.5 | -62.4 | 179.8 | -174.4 | -92.8 | 5.1 | 112.4 | T468 D536 S538 V543 W544 | R466-T468 PolarHBondContact O-N 3.02Å; R466-D536 IonicContact CZ-OD2 3.58Å; R466-D536 IonicContact NE-OD2 3.94Å; R466-D536 PolarHBondContact NE-OD2 3.26Å; R466-D536 VanDerWaalsContact NE-OD2 3.11Å; R466-D536 IonicContact NH2-OD2 3.19Å; R466-S538 PolarHBondContact NH2-OG 3.39Å; R466-V543 HydrophobicContact CG-CG1 4.02Å; R466-W544 PolarHBondContact N-O 3.23Å |
| 467 | I | 85.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -88.7 | 88.3 | -175.6 | -54.8 | 177.9 | 0 | 0 | 0 | 109.6 | T465 K469 A470 T471 Y531 A533 N546 L572 | T465-I467 PolarHBondContact O-N 2.9Å; T465-I467 PolarHBondContact OG1-N 3.14Å; I467-K469 PolarHBondContact O-N 3.32Å; I467-A470 HydrophobicContact CB-CB 4.03Å; I467-A470 HydrophobicContact CG2-CB 3.74Å; I467-A470 WeakPolarHBondContact O-CB 3.43Å; I467-A470 PolarHBondContact O-N 3.49Å; I467-T471 PolarHBondContact O-N 2.87Å; I467-Y531 HydrophobicContact CG2-CD1 3.94Å; I467-Y531 HydrophobicContact CG2-CD2 4.4Å; I467-Y531 HydrophobicContact CG2-CE1 4.15Å; I467-Y531 HydrophobicContact CG2-CG 4.07Å; I467-A533 HydrophobicContact CD1-CB 3.95Å; I467-N546 WeakPolarHBondContact CA-OD1 3.45Å; I467-N546 HydrophobicContact CG1-CB 4.15Å; I467-N546 WeakPolarHBondContact CG2-OD1 3.48Å; I467-L572 HydrophobicContact CD1-CD2 3.84Å | ||
| 468 | T | 79.5 | Confident | 80.6 | Confident | 92 Ų | 92 | 72.5 Ų | 72.5 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -45.3 | -53.3 | -175.3 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | R466 A470 T471 | R466-T468 PolarHBondContact O-N 3.02Å; T468-A470 PolarHBondContact O-N 3.11Å; T468-T471 PolarHBondContact O-N 2.86Å; T468-T471 PolarHBondContact O-OG1 2.97Å |
| 469 | K | 78.8 | Confident | 81.5 | Confident | 140 Ų | 140 | 70 Ų | 70 | 61% | 0.609 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.5 | -22.1 | 179.2 | -66.4 | -179.9 | 179.8 | 176 | 0 | 115 | I467 Y531 | I467-K469 PolarHBondContact O-N 3.32Å; K469-Y531 HydrophobicContact CB-CE1 3.96Å; K469-Y531 PolarHBondContact O-OH 3.17Å |
| 470 | A | 78.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -84.3 | -26.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P462 I467 T468 D472 Y473 I478 Y531 Q574 | P462-A470 HydrophobicContact CB-CB 4.27Å; P462-A470 WeakPolarHBondContact CB-O 3.34Å; I467-A470 HydrophobicContact CB-CB 4.03Å; I467-A470 HydrophobicContact CG2-CB 3.74Å; I467-A470 WeakPolarHBondContact O-CB 3.43Å; I467-A470 PolarHBondContact O-N 3.49Å; T468-A470 PolarHBondContact O-N 3.11Å; A470-D472 PolarHBondContact O-N 3.18Å; A470-Y473 PolarHBondContact O-N 3.39Å; A470-Y473 VanDerWaalsContact O-N 3.07Å; A470-I478 HydrophobicContact CB-CD1 3.67Å; A470-Y531 HydrophobicContact CB-CE2 3.92Å; A470-Q574 PolarHBondContact O-NE2 2.85Å |
| 471 | T | 76.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 29% | 0.288 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.4 | -10.8 | 176.1 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | I467 T468 Y473 K474 | I467-T471 PolarHBondContact O-N 2.87Å; T468-T471 PolarHBondContact O-N 2.86Å; T468-T471 PolarHBondContact O-OG1 2.97Å; T471-Y473 PolarHBondContact O-N 2.97Å; T471-K474 WeakPolarHBondContact O-CE 3.35Å; T471-K474 WeakPolarHBondContact O-CG 3.43Å |
| 472 | D | 76.7 | Confident | 82.7 | Confident | 121 Ų | 121 | 63.6 Ų | 63.6 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.2 | 167 | -65 | -40.5 | 0 | 0 | 0 | 112.1 | A470 | A470-D472 PolarHBondContact O-N 3.18Š|
| 473 | Y | 78.9 | Confident | 83 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 50.9 | -174.3 | -59 | -69.4 | 0 | 0 | 0 | 112 | A470 T471 D475 H476 F529 Q574 V576 | A470-Y473 PolarHBondContact O-N 3.39Å; A470-Y473 VanDerWaalsContact O-N 3.07Å; T471-Y473 PolarHBondContact O-N 2.97Å; Y473-D475 PolarHBondContact O-N 3.45Å; Y473-H476 PolarHBondContact O-N 2.88Å; Y473-F529 HydrophobicContact CD2-CE2 4.2Å; Y473-F529 HydrophobicContact CE2-CD2 4.41Å; Y473-F529 HydrophobicContact CE2-CE1 4.48Å; Y473-F529 AromaticContact CE2-CE2 3.58Å; Y473-F529 HydrophobicContact CE2-CE2 3.58Å; Y473-F529 AromaticContact CE2-CZ 3.6Å; Y473-F529 HydrophobicContact CE2-CZ 3.6Å; Y473-F529 AromaticContact CZ-CZ 3.97Å; Y473-Q574 PolarHBondContact O-NE2 3.25Å; Y473-V576 HydrophobicContact CD1-CB 4.5Å; Y473-V576 HydrophobicContact CD1-CG1 3.66Å; Y473-V576 HydrophobicContact CD1-CG2 3.99Å; Y473-V576 HydrophobicContact CD2-CG2 3.85Å; Y473-V576 HydrophobicContact CE1-CG1 3.71Å; Y473-V576 HydrophobicContact CE1-CG2 4.47Å; Y473-V576 HydrophobicContact CE2-CG2 4.34Å; Y473-V576 HydrophobicContact CG-CG1 4.22Å; Y473-V576 HydrophobicContact CG-CG2 3.65Å |
| 474 | K | 78.1 | Confident | 83.4 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.3 | -168.8 | -56.6 | -173.6 | -177.4 | 179.5 | 0 | 115.4 | V463 T471 H476 | V463-K474 HydrophobicContact CG2-CB 4.03Å; V463-K474 HydrophobicContact CG2-CD 4.09Å; V463-K474 HydrophobicContact CG2-CG 4.03Å; T471-K474 WeakPolarHBondContact O-CE 3.35Å; T471-K474 WeakPolarHBondContact O-CG 3.43Å; K474-H476 VanDerWaalsContact C-N 3.34Å |
| 475 | D | 77.3 | Confident | 83.9 | Confident | 151 Ų | 151 | 51.7 Ų | 51.7 | 81% | 0.807 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.4 | -177.4 | -47.3 | -65.3 | 0 | 0 | 0 | 113.4 | Y473 | Y473-D475 PolarHBondContact O-N 3.45Š|
| 476 | H | 81 | Confident | 84.2 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -94.5 | 110.5 | -179.9 | -65 | 81.4 | 0 | 0 | 0 | 110.2 | P462 Y473 K474 Q574 V575 V576 H577 | P462-H476 WeakPolarHBondContact CG-O 3.2Å; Y473-H476 PolarHBondContact O-N 2.88Å; K474-H476 VanDerWaalsContact C-N 3.34Å; H476-Q574 HydrophobicContact CB-CG 4.27Å; H476-Q574 PolarHBondContact O-NE2 3.34Å; H476-V575 PolarHBondContact CD2-O 2.03Å; H476-V576 HydrophobicContact CB-CG2 4.27Å; H476-H577 AromaticContact NE2-CD2 3.91Å |
| 477 | K | 83.6 | Confident | 84.4 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | trans | -59.1 | 149.8 | 178.4 | -60.4 | -56.6 | -173.9 | 79 | 0 | 112 | E459 | E459-K477 HydrophobicContact CB-CD 4.48Å; E459-K477 HydrophobicContact CB-CG 4.32Å; E459-K477 HydrophobicContact CG-CG 4.36Å; E459-K477 IonicContact OE2-NZ 2.63Å; E459-K477 PolarHBondContact OE2-NZ 3.25Å | ||
| 478 | I | 87.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.6 | 171.1 | -44.5 | 177.4 | 0 | 0 | 0 | 107.9 | I460 P462 T465 A470 L572 M573 Q574 | I460-I478 HydrophobicContact CB-CB 4.18Å; I460-I478 WeakPolarHBondContact CB-O 3.31Å; I460-I478 PolarHBondContact N-O 3.11Å; I460-I478 PolarHBondContact O-N 3.21Å; P462-I478 HydrophobicContact CB-CD1 4.15Å; P462-I478 HydrophobicContact CB-CG1 4.45Å; P462-I478 HydrophobicContact CG-CD1 4.21Å; P462-I478 HydrophobicContact CG-CG1 3.96Å; T465-I478 HydrophobicContact CG2-CD1 4.15Å; A470-I478 HydrophobicContact CB-CD1 3.67Å; I478-L572 HydrophobicContact CG2-CB 3.69Å; I478-L572 HydrophobicContact CG2-CD2 4.05Å; I478-L572 HydrophobicContact CG2-CG 3.86Å; I478-M573 CarbonylContact C-O 3.6Å; I478-M573 WeakPolarHBondContact CA-O 3.26Å; I478-M573 WeakPolarHBondContact CG2-O 3.43Å; I478-Q574 HydrophobicContact CG1-CB 4.27Å; I478-Q574 HydrophobicContact CG1-CG 4.17Å |
| 479 | Q | 86.8 | Confident | 84.7 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151 | 176.9 | -53.6 | -170.5 | -37.8 | 0 | 0 | 109.1 | K458 M573 | K458-Q479 WeakPolarHBondContact O-CG 3.5Å; Q479-M573 PolarHBondContact N-O 3.38Å; Q479-M573 PolarHBondContact O-N 2.91Å |
| 480 | I | 88.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.5 | 170.4 | -58.9 | -165.4 | 0 | 0 | 0 | 109.3 | H454 Y457 I460 S482 L484 W544 A570 L572 | H454-I480 HydrophobicContact CB-CG2 3.97Å; Y457-I480 VanDerWaalsContact CB-CD1 3.46Å; Y457-I480 HydrophobicContact CD2-CD1 3.6Å; Y457-I480 HydrophobicContact CE2-CD1 4.48Å; Y457-I480 HydrophobicContact CG-CD1 3.66Å; Y457-I480 HydrophobicContact CG-CG1 4.46Å; I460-I480 HydrophobicContact CD1-CD1 4.27Å; I460-I480 HydrophobicContact CD1-CG1 3.83Å; I480-S482 WeakPolarHBondContact CG2-O 2.97Å; I480-L484 HydrophobicContact CD1-CD1 4.09Å; I480-L484 HydrophobicContact CG2-CD1 4.34Å; I480-W544 HydrophobicContact CD1-CH2 4Å; I480-W544 HydrophobicContact CD1-CZ2 3.49Å; I480-W544 VanDerWaalsContact CD1-CZ2 3.49Å; I480-A570 HydrophobicContact CG2-CB 4.24Å; I480-L572 HydrophobicContact CD1-CD1 4.33Å; I480-L572 HydrophobicContact CG1-CD1 3.92Å |
| 481 | A | 87.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -114.6 | 3.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | H511 V512 L513 I571 M573 | A481-H511 CarbonylContact O-C 3.59Å; A481-H511 WeakPolarHBondContact O-CA 3.13Å; A481-H511 WeakPolarHBondContact O-CB 3.41Å; A481-V512 PolarHBondContact O-N 3.34Å; A481-L513 HydrophobicContact CB-CD2 3.91Å; A481-I571 HydrophobicContact CB-CG2 4.49Å; A481-I571 PolarHBondContact N-O 3.07Å; A481-M573 HydrophobicContact CB-CB 3.73Å; A481-M573 HydrophobicContact CB-SD 4.3Å | ||
| 482 | S | 91.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -141 | 166.8 | 175.9 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | H454 I480 I571 | H454-S482 VanDerWaalsContact CB-O 3.25Å; H454-S482 WeakPolarHBondContact CB-O 3.44Å; I480-S482 WeakPolarHBondContact CG2-O 2.97Å; S482-I571 PolarHBondContact OG-N 2.89Å |
| 483 | C | 90.3 | Very high | 83.4 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | trans | -58.9 | 158 | 159 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | F449 Y450 | F449-C483 HydrophobicContact CD2-CB 4.47Å; F449-C483 HydrophobicContact CE2-CB 3.53Å; F449-C483 HydrophobicContact CZ-CB 3.58Å; Y450-C483 WeakPolarHBondContact O-CB 2.98Å | ||
| 484 | L | 91.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141.3 | 174.5 | -80.9 | 65.9 | 0 | 0 | 0 | 109.4 | I373 Y450 M453 H454 Y457 I480 W544 F569 A570 | I373-L484 HydrophobicContact CD1-CD2 3.67Å; Y450-L484 HydrophobicContact CD2-CB 4.07Å; Y450-L484 PolarHBondContact N-O 2.84Å; M453-L484 HydrophobicContact CB-CD2 4.35Å; H454-L484 HydrophobicContact CB-CD1 3.72Å; Y457-L484 HydrophobicContact CE2-CD2 4.36Å; I480-L484 HydrophobicContact CD1-CD1 4.09Å; I480-L484 HydrophobicContact CG2-CD1 4.34Å; L484-W544 HydrophobicContact CD2-CH2 4.15Å; L484-W544 HydrophobicContact CD2-CZ2 4.5Å; L484-W544 HydrophobicContact CG-CH2 4.26Å; L484-F569 WeakPolarHBondContact CA-O 3.33Å; L484-A570 HydrophobicContact CD1-CB 4.29Å; L484-A570 HydrophobicContact CG-CB 4.21Å |
| 485 | I | 92.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.7 | 177.9 | -165.8 | 165.5 | 0 | 0 | 0 | 110.6 | F422 I430 F449 I507 L509 F569 | F422-I485 HydrophobicContact CD1-CG1 4.44Å; F422-I485 HydrophobicContact CE1-CG1 4.33Å; I430-I485 HydrophobicContact CD1-CB 4.42Å; I430-I485 HydrophobicContact CD1-CD1 4.32Å; I430-I485 HydrophobicContact CD1-CG1 3.82Å; I430-I485 HydrophobicContact CD1-CG2 4.03Å; I430-I485 HydrophobicContact CG1-CD1 3.93Å; I430-I485 HydrophobicContact CG1-CG1 3.99Å; I430-I485 HydrophobicContact CG1-CG2 4.04Å; F449-I485 HydrophobicContact CD2-CB 3.94Å; F449-I485 HydrophobicContact CD2-CD1 3.97Å; F449-I485 HydrophobicContact CD2-CG1 3.96Å; I485-I507 HydrophobicContact CG2-CG2 4.09Å; I485-L509 HydrophobicContact CB-CD2 4.33Å; I485-L509 HydrophobicContact CG2-CD1 4.04Å; I485-L509 HydrophobicContact CG2-CD2 3.85Å; I485-L509 HydrophobicContact CG2-CG 4.27Å; I485-F569 HydrophobicContact CG2-CB 4.08Å; I485-F569 PolarHBondContact N-O 2.83Å; I485-F569 PolarHBondContact O-N 3.42Å |
| 486 | S | 91.5 | Very high | 80.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.6 | 178.9 | -165.4 | 0 | 0 | 0 | 0 | 110.3 | D377 L448 N568 | D377-S486 PolarHBondContact OD2-OG 3.44Å; L448-S486 PolarHBondContact N-O 3.37Å; L448-S486 PolarHBondContact O-N 3.36Å; S486-N568 WeakPolarHBondContact CB-OD1 3.48Å; S486-N568 PolarHBondContact OG-OD1 3.14Å |
| 487 | L | 89.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 116 | 166.9 | -178.9 | 62 | 0 | 0 | 0 | 108.9 | Y420 I430 V432 I445 V446 L566 | Y420-L487 HydrophobicContact CD1-CD1 4.33Å; Y420-L487 HydrophobicContact CD1-CD2 3.9Å; Y420-L487 HydrophobicContact CE1-CD1 3.59Å; Y420-L487 HydrophobicContact CE1-CD2 3.92Å; Y420-L487 HydrophobicContact CE1-CG 4.43Å; I430-L487 HydrophobicContact CB-CD2 4.24Å; I430-L487 HydrophobicContact CD1-CB 3.55Å; I430-L487 HydrophobicContact CG2-CB 4.4Å; I430-L487 HydrophobicContact CG2-CD2 3.65Å; V432-L487 HydrophobicContact CG2-CD2 3.54Å; I445-L487 HydrophobicContact CG2-CD1 3.44Å; I445-L487 VanDerWaalsContact CG2-CD1 3.44Å; V446-L487 CarbonylContact O-C 3.6Å; V446-L487 WeakPolarHBondContact O-CA 3.29Å; L487-L566 HydrophobicContact CB-CD2 4.26Å; L487-L566 HydrophobicContact CD2-CD2 4.02Å; L487-L566 HydrophobicContact CG-CD2 4.2Å; L487-L566 WeakPolarHBondContact O-CB 3.45Å |
| 488 | K | 86.9 | Confident | 76.6 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 32% | 0.317 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.7 | 175.4 | -162.9 | -173.2 | -168.6 | -159.3 | 0 | 109.7 | I445 V446 E490 | I445-K488 WeakPolarHBondContact CA-O 3.11Å; V446-K488 HydrophobicContact CB-CB 4.36Å; V446-K488 PolarHBondContact N-O 3.21Å; V446-K488 PolarHBondContact O-N 2.97Å; K488-E490 WeakPolarHBondContact CE-OE1 3.08Å; K488-E490 IonicContact NZ-OE1 2.58Å; K488-E490 PolarHBondContact NZ-OE1 3.42Å |
| 489 | V | 84.7 | Confident | 74.2 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129 | 178 | 178 | 0 | 0 | 0 | 0 | 108.6 | F437 T443 T444 I445 P493 L566 | F437-V489 HydrophobicContact CD1-CG1 4.45Å; F437-V489 HydrophobicContact CE1-CG1 3.96Å; F437-V489 HydrophobicContact CE1-CG2 4.05Å; F437-V489 HydrophobicContact CZ-CG2 4.48Å; T443-V489 HydrophobicContact CG2-CG1 3.56Å; T444-V489 WeakPolarHBondContact O-CA 3.13Å; I445-V489 HydrophobicContact CG1-CG2 4.24Å; I445-V489 HydrophobicContact CG2-CG2 4.12Å; V489-P493 HydrophobicContact CG1-CG 4.45Å; V489-L566 HydrophobicContact CB-CD1 4Å; V489-L566 HydrophobicContact CG2-CD1 3.68Å |
| 490 | E | 77.9 | Confident | 72.1 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 30% | 0.304 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.9 | 177.3 | -54.2 | 173.8 | 162.5 | 0 | 0 | 110.5 | T443 T444 K488 | T443-E490 WeakPolarHBondContact CA-O 3.4Å; T444-E490 PolarHBondContact N-O 2.98Å; T444-E490 PolarHBondContact O-N 3.39Å; T444-E490 WeakPolarHBondContact OG1-CB 3.3Å; T444-E490 PolarHBondContact OG1-O 3.32Å; K488-E490 WeakPolarHBondContact CE-OE1 3.08Å; K488-E490 IonicContact NZ-OE1 2.58Å; K488-E490 PolarHBondContact NZ-OE1 3.42Å |
| 491 | P | 72.4 | Confident | 70.2 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | S | Bend | cis | -61.8 | 153.8 | -11.2 | 29.4 | -35.7 | 0 | 0 | 0 | 111.8 | I439 T441 | I439-P491 HydrophobicContact CD1-CG 4.19Å; T441-P491 WeakPolarHBondContact OG1-CG 3.42Å |
| 492 | L | 67.6 | Low | 68.1 | Low | 125 Ų | 125 | 55.9 Ų | 55.9 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -61 | 128 | -176.7 | -170.4 | 76.8 | 0 | 0 | 0 | 110.2 | ||
| 493 | P | 66.3 | Low | 66.2 | Low | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 149.8 | -177.6 | 24.9 | -33.2 | 0 | 0 | 0 | 112.5 | A436 V489 L495 L566 | A436-P493 HydrophobicContact CB-CB 3.94Å; A436-P493 HydrophobicContact CB-CG 4.43Å; A436-P493 WeakPolarHBondContact O-CB 3.32Å; V489-P493 HydrophobicContact CG1-CG 4.45Å; P493-L495 VanDerWaalsContact C-N 3.26Å; P493-L495 HydrophobicContact CB-CD2 4.39Å; P493-L495 HydrophobicContact CB-CG 4.4Å; P493-L495 HydrophobicContact CG-CD1 4.22Å; P493-L495 HydrophobicContact CG-CD2 4.05Å; P493-L495 HydrophobicContact CG-CG 3.97Å; P493-L495 PolarHBondContact O-N 2.72Å; P493-L566 HydrophobicContact CG-CD1 3.97Å |
| 494 | P | 58.8 | Low | 64.9 | Low | 82 Ų | 82 | 60 Ų | 60 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | trans | -72.3 | 81.5 | 173.3 | 31.5 | -35.7 | 0 | 0 | 0 | 110 | L496 | P494-L496 PolarHBondContact O-N 3.01Š| ||
| 495 | L | 57.5 | Low | 64.4 | Low | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | trans | -74.5 | 47.5 | 178.7 | -62.3 | 170.5 | 0 | 0 | 0 | 111.9 | A436 P493 I505 N564 L566 | A436-L495 HydrophobicContact CB-CD2 4.12Å; P493-L495 VanDerWaalsContact C-N 3.26Å; P493-L495 HydrophobicContact CB-CD2 4.39Å; P493-L495 HydrophobicContact CB-CG 4.4Å; P493-L495 HydrophobicContact CG-CD1 4.22Å; P493-L495 HydrophobicContact CG-CD2 4.05Å; P493-L495 HydrophobicContact CG-CG 3.97Å; P493-L495 PolarHBondContact O-N 2.72Å; L495-I505 HydrophobicContact CD1-CD1 3.69Å; L495-I505 HydrophobicContact CD2-CD1 3.85Å; L495-I505 HydrophobicContact CD2-CG1 4.27Å; L495-I505 HydrophobicContact CG-CD1 4.42Å; L495-N564 WeakPolarHBondContact CB-O 3.08Å; L495-N564 VanDerWaalsContact CD1-O 3.31Å; L495-N564 WeakPolarHBondContact CD1-O 3.1Å; L495-L566 HydrophobicContact CD1-CG 4.39Å | ||
| 496 | L | 49 | Very low | 64.2 | Low | 143 Ų | 143 | 64.4 Ų | 64.4 | 75% | 0.749 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 129.6 | -175.7 | -133 | 159.6 | 0 | 0 | 0 | 109.4 | P494 N498 | P494-L496 PolarHBondContact O-N 3.01Å; L496-N498 PolarHBondContact O-N 2.97Å |
| 497 | V | 51.2 | Low | 64.2 | Low | 83 Ų | 83 | 64.4 Ų | 64.4 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 127.4 | -173.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 498 | N | 38.2 | Very low | 64.4 | Low | 85 Ų | 85 | 65 Ų | 65 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 154.8 | 176.8 | -173.2 | 2.6 | 0 | 0 | 0 | 110.7 | L496 S500 G501 | L496-N498 PolarHBondContact O-N 2.97Å; N498-S500 PolarHBondContact O-N 3.05Å; N498-G501 PolarHBondContact O-N 3.15Å |
| 499 | H | 37.7 | Very low | 64.6 | Low | 201 Ų | 201 | 61.6 Ų | 61.6 | 93% | 0.931 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -13.2 | 177.6 | -68.6 | -69.4 | 0 | 0 | 0 | 114.7 | ||
| 500 | S | 43.5 | Very low | 64.9 | Low | 105 Ų | 105 | 62.9 Ų | 62.9 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.8 | 174 | -47.9 | 0 | 0 | 0 | 0 | 115.2 | N498 A502 | N498-S500 PolarHBondContact O-N 3.05Å; S500-A502 PolarHBondContact O-N 3.03Å |
| 501 | G | 46.9 | Very low | 65.5 | Low | 56 Ų | 56 | 60.9 Ų | 60.9 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | trans | 81.9 | 0.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | N498 | N498-G501 PolarHBondContact O-N 3.15Š| ||
| 502 | A | 43.7 | Very low | 66.1 | Low | 44 Ų | 44 | 61.2 Ų | 61.2 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | trans | -82.6 | 143.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S500 | S500-A502 PolarHBondContact O-N 3.03Š| ||
| 503 | P | 52 | Low | 66.8 | Low | 43 Ų | 43 | 57.3 Ų | 57.3 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | trans | -69.9 | 145.6 | 171.3 | -11.1 | 25.5 | 0 | 0 | 0 | 111.9 | M562 C563 | P503-M562 HydrophobicContact CB-CB 4.04Å; P503-M562 HydrophobicContact CG-CB 3.96Å; P503-M562 VanDerWaalsContact O-CE 3.28Å; P503-M562 WeakPolarHBondContact O-CE 3.48Å; P503-C563 WeakPolarHBondContact CB-O 3.49Å | ||
| 504 | L | 62.6 | Low | 67.5 | Low | 55 Ų | 55 | 60.4 Ų | 60.4 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -87.5 | -26.8 | -168.9 | -72.6 | 164.9 | 0 | 0 | 0 | 114.8 | P433 | P433-L504 WeakPolarHBondContact CD-O 3.4Å; P433-L504 HydrophobicContact CG-CB 4.18Å; P433-L504 HydrophobicContact CG-CD2 4.33Å; P433-L504 WeakPolarHBondContact CG-O 3.21Å |
| 505 | I | 82 | Confident | 68.4 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.2 | -170.9 | -61.7 | 157.8 | 0 | 0 | 0 | 109.9 | I430 V432 L495 I507 M562 C563 H565 L566 | I430-I505 HydrophobicContact CG2-CG2 3.84Å; V432-I505 HydrophobicContact CG1-CG1 4.49Å; V432-I505 HydrophobicContact CG2-CG1 4.44Å; V432-I505 HydrophobicContact CG2-CG2 4.35Å; L495-I505 HydrophobicContact CD1-CD1 3.69Å; L495-I505 HydrophobicContact CD2-CD1 3.85Å; L495-I505 HydrophobicContact CD2-CG1 4.27Å; L495-I505 HydrophobicContact CG-CD1 4.42Å; I505-I507 HydrophobicContact CG2-CG1 4.1Å; I505-M562 WeakPolarHBondContact O-CA 3.43Å; I505-C563 PolarHBondContact N-O 2.97Å; I505-C563 VanDerWaalsContact N-O 3.08Å; I505-C563 PolarHBondContact O-N 3.38Å; I505-H565 WeakPolarHBondContact CD1-O 3.29Å; I505-L566 HydrophobicContact CD1-CD1 4.44Å; I505-L566 HydrophobicContact CD1-CD2 3.69Å; I505-L566 HydrophobicContact CD1-CG 3.65Å; I505-L566 HydrophobicContact CG1-CD2 4.47Å; I505-L566 HydrophobicContact CG2-CD2 4.37Å |
| 506 | K | 88.6 | Confident | 69.2 | Low | 92 Ų | 92 | 70.6 Ų | 70.6 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 128.3 | 176.5 | -176.9 | -179.8 | -178.5 | 179.7 | 0 | 109.6 | S431 V508 V560 | S431-K506 WeakPolarHBondContact CB-O 3.48Å; S431-K506 PolarHBondContact N-O 3.31Å; S431-K506 PolarHBondContact O-N 3.24Å; K506-V508 HydrophobicContact CG-CG2 4.37Å; K506-V560 HydrophobicContact CD-CG1 4.48Å; K506-V560 HydrophobicContact CG-CG1 4.09Å |
| 507 | I | 91.1 | Very high | 70.4 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.8 | 176.7 | -45.6 | -178.8 | 0 | 0 | 0 | 108.2 | I430 I485 I505 L509 V560 C561 C563 F569 | I430-I507 HydrophobicContact CG1-CB 4.48Å; I430-I507 HydrophobicContact CG1-CD1 4.28Å; I430-I507 HydrophobicContact CG1-CG1 4.09Å; I430-I507 HydrophobicContact CG1-CG2 3.88Å; I430-I507 HydrophobicContact CG2-CG1 4.42Å; I485-I507 HydrophobicContact CG2-CG2 4.09Å; I505-I507 HydrophobicContact CG2-CG1 4.1Å; I507-L509 HydrophobicContact CG2-CD1 4.25Å; I507-L509 HydrophobicContact CG2-CG 4.22Å; I507-V560 WeakPolarHBondContact O-CA 3.45Å; I507-C561 HydrophobicContact CB-CB 4.18Å; I507-C561 PolarHBondContact N-O 3.46Å; I507-C561 PolarHBondContact O-N 3.13Å; I507-C563 HydrophobicContact CD1-CB 4.44Å; I507-F569 HydrophobicContact CD1-CB 4.14Å; I507-F569 HydrophobicContact CD1-CD1 3.64Å; I507-F569 HydrophobicContact CD1-CD2 3.43Å; I507-F569 VanDerWaalsContact CD1-CD2 3.43Å; I507-F569 HydrophobicContact CD1-CE1 3.81Å; I507-F569 HydrophobicContact CD1-CE2 3.58Å; I507-F569 HydrophobicContact CD1-CG 3.45Å; I507-F569 VanDerWaalsContact CD1-CG 3.45Å; I507-F569 HydrophobicContact CD1-CZ 3.78Å |
| 508 | V | 92.6 | Very high | 71.6 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.3 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | N428 Y429 K506 Y558 V560 | N428-V508 CarbonylContact C-O 3.37Å; N428-V508 WeakPolarHBondContact CA-O 3.34Å; Y429-V508 HydrophobicContact CD1-CB 4.13Å; Y429-V508 HydrophobicContact CE1-CB 3.78Å; Y429-V508 HydrophobicContact CE1-CG1 4.26Å; Y429-V508 HydrophobicContact CE1-CG2 3.9Å; Y429-V508 HydrophobicContact CE2-CG2 4.1Å; Y429-V508 PolarHBondContact N-O 3.08Å; Y429-V508 PolarHBondContact O-N 3.4Å; K506-V508 HydrophobicContact CG-CG2 4.37Å; V508-Y558 HydrophobicContact CG1-CD2 4.4Å; V508-V560 HydrophobicContact CG2-CG1 4.39Å; V508-V560 HydrophobicContact CG2-CG2 4.37Å |
| 509 | L | 92.8 | Very high | 73.3 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.5 | -178.8 | -76 | 169.9 | 0 | 0 | 0 | 110.5 | N428 I485 I507 Y558 S559 I571 | N428-L509 HydrophobicContact CB-CD2 4.16Å; N428-L509 WeakPolarHBondContact OD1-CA 2.93Å; I485-L509 HydrophobicContact CB-CD2 4.33Å; I485-L509 HydrophobicContact CG2-CD1 4.04Å; I485-L509 HydrophobicContact CG2-CD2 3.85Å; I485-L509 HydrophobicContact CG2-CG 4.27Å; I507-L509 HydrophobicContact CG2-CD1 4.25Å; I507-L509 HydrophobicContact CG2-CG 4.22Å; L509-Y558 CarbonylContact O-C 3.55Å; L509-Y558 VanDerWaalsContact O-CA 3.25Å; L509-Y558 WeakPolarHBondContact O-CA 3.23Å; L509-Y558 WeakPolarHBondContact O-CB 3.32Å; L509-S559 PolarHBondContact N-O 3.12Å; L509-S559 VanDerWaalsContact N-O 3.1Å; L509-S559 PolarHBondContact O-N 2.94Å; L509-I571 HydrophobicContact CB-CD1 4.17Å; L509-I571 HydrophobicContact CB-CG1 3.7Å; L509-I571 HydrophobicContact CD1-CD1 3.99Å; L509-I571 HydrophobicContact CD1-CG1 3.9Å; L509-I571 HydrophobicContact CG-CG1 4.46Å |
| 510 | T | 91.1 | Very high | 75 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 140.8 | 171.2 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | K427 N428 S557 | K427-T510 HydrophobicContact CB-CG2 3.61Å; K427-T510 HydrophobicContact CD-CG2 4.31Å; N428-T510 PolarHBondContact ND2-OG1 2.93Å; N428-T510 VanDerWaalsContact ND2-OG1 3.08Å; N428-T510 PolarHBondContact OD1-N 2.8Å; N428-T510 PolarHBondContact OD1-OG1 3.44Å; T510-S557 CarbonylContact C-O 3.42Å; T510-S557 WeakPolarHBondContact CA-O 3.24Å |
| 511 | H | 89.4 | Confident | 76 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | trans | -80.2 | 136.2 | 179.2 | -50 | 146.6 | 0 | 0 | 0 | 111.6 | A481 L513 A556 S557 Y558 S559 | A481-H511 CarbonylContact O-C 3.59Å; A481-H511 WeakPolarHBondContact O-CA 3.13Å; A481-H511 WeakPolarHBondContact O-CB 3.41Å; H511-L513 HydrophobicContact CB-CD1 4.46Å; H511-L513 HydrophobicContact CB-CD2 4.09Å; H511-L513 HydrophobicContact CB-CG 3.98Å; H511-A556 VanDerWaalsContact ND1-C 3.29Å; H511-A556 PolarHBondContact ND1-O 2.89Å; H511-S557 PolarHBondContact N-O 2.91Å; H511-Y558 PolarHBondContact CE1-O 2.68Å; H511-Y558 VanDerWaalsContact NE2-C 3.3Å; H511-S559 PolarHBondContact NE2-N 3.26Å; H511-S559 PolarHBondContact NE2-OG 3.19Å | ||
| 512 | V | 86 | Confident | 77 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | trans | -114 | 79.2 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 107 | A481 | A481-V512 PolarHBondContact O-N 3.34Š| ||
| 513 | L | 82.4 | Confident | 78.2 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | trans | -88.1 | 143.1 | -173.2 | -56.5 | 176.8 | 0 | 0 | 0 | 111.7 | A481 H511 Q517 M521 M573 | A481-L513 HydrophobicContact CB-CD2 3.91Å; H511-L513 HydrophobicContact CB-CD1 4.46Å; H511-L513 HydrophobicContact CB-CD2 4.09Å; H511-L513 HydrophobicContact CB-CG 3.98Å; L513-Q517 HydrophobicContact CB-CB 4.16Å; L513-Q517 HydrophobicContact CD2-CB 4.31Å; L513-M521 HydrophobicContact CD1-CE 3.53Å; L513-M521 HydrophobicContact CD1-CG 4.3Å; L513-M521 HydrophobicContact CD1-SD 3.71Å; L513-M521 HydrophobicContact CD2-CE 3.85Å; L513-M521 HydrophobicContact CG-CE 4.34Å; L513-M573 HydrophobicContact CD2-SD 3.81Å | ||
| 514 | T | 79.9 | Confident | 78.4 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | trans | -72.6 | 164.1 | 163.8 | 72.6 | 0 | 0 | 0 | 0 | 110.5 | E516 Q517 Q518 | T514-E516 VanDerWaalsContact C-N 3.28Å; T514-E516 PolarHBondContact O-N 3.1Å; T514-Q517 PolarHBondContact O-N 3.1Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.32Å; T514-Q517 PolarHBondContact OG1-N 3.09Å; T514-Q518 WeakPolarHBondContact O-CB 3.08Å; T514-Q518 PolarHBondContact O-N 3.5Å | ||
| 515 | K | 77.4 | Confident | 78.3 | Confident | 175 Ų | 175 | 68 Ų | 68 | 76% | 0.761 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.5 | -44.6 | 174.4 | -69.5 | -174.6 | 176.3 | -177.2 | 0 | 111.7 | Q517 Q518 D519 | K515-Q517 PolarHBondContact O-N 2.95Å; K515-Q518 WeakPolarHBondContact O-CB 3.27Å; K515-Q518 PolarHBondContact O-N 3Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; K515-D519 PolarHBondContact O-N 2.79Å |
| 516 | E | 75.2 | Confident | 77.8 | Confident | 147 Ų | 147 | 68.9 Ų | 68.9 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.5 | -44.4 | 177.8 | -65 | 162.9 | -166.2 | 0 | 0 | 112 | T514 Q518 Q520 | T514-E516 VanDerWaalsContact C-N 3.28Å; T514-E516 PolarHBondContact O-N 3.1Å; E516-Q518 VanDerWaalsContact C-N 3.33Å; E516-Q518 PolarHBondContact O-N 2.63Å; E516-Q520 WeakPolarHBondContact O-CB 3.41Å; E516-Q520 WeakPolarHBondContact O-CG 3.39Å; E516-Q520 PolarHBondContact O-N 2.74Å |
| 517 | Q | 74.3 | Confident | 77.3 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 174.2 | -73.1 | 172.5 | -27 | 0 | 0 | 112.2 | L513 T514 K515 Q520 M521 M573 | L513-Q517 HydrophobicContact CB-CB 4.16Å; L513-Q517 HydrophobicContact CD2-CB 4.31Å; T514-Q517 PolarHBondContact O-N 3.1Å; T514-Q517 WeakPolarHBondContact OG1-CG 3.32Å; T514-Q517 PolarHBondContact OG1-N 3.09Å; K515-Q517 PolarHBondContact O-N 2.95Å; Q517-Q520 PolarHBondContact O-N 2.74Å; Q517-M521 WeakPolarHBondContact O-CG 3.4Å; Q517-M521 PolarHBondContact O-N 3.22Å; Q517-M573 HydrophobicContact CB-CE 4.06Å; Q517-M573 HydrophobicContact CG-CE 4.38Å |
| 518 | Q | 75.8 | Confident | 76.9 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 179.3 | -168.4 | 169.5 | 6.5 | 0 | 0 | 111.7 | T514 K515 E516 Q520 M521 L522 | T514-Q518 WeakPolarHBondContact O-CB 3.08Å; T514-Q518 PolarHBondContact O-N 3.5Å; K515-Q518 WeakPolarHBondContact O-CB 3.27Å; K515-Q518 PolarHBondContact O-N 3Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; E516-Q518 VanDerWaalsContact C-N 3.33Å; E516-Q518 PolarHBondContact O-N 2.63Å; Q518-Q520 VanDerWaalsContact C-N 3.31Å; Q518-Q520 PolarHBondContact O-N 3.01Å; Q518-M521 PolarHBondContact O-N 3.44Å; Q518-M521 VanDerWaalsContact O-N 3.17Å; Q518-L522 HydrophobicContact CG-CD1 4.31Å; Q518-L522 WeakPolarHBondContact O-CG 3.46Å; Q518-L522 PolarHBondContact O-N 2.82Å |
| 519 | D | 74.9 | Confident | 76.6 | Confident | 108 Ų | 108 | 72.4 Ų | 72.4 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.5 | -38 | 171.7 | -66.6 | -31.4 | 0 | 0 | 0 | 111 | K515 L522 N523 | K515-D519 PolarHBondContact O-N 2.79Å; D519-L522 PolarHBondContact O-N 2.86Å; D519-N523 PolarHBondContact O-N 3.39Å; D519-N523 VanDerWaalsContact O-N 3.11Å |
| 520 | Q | 72.9 | Confident | 76.4 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.2 | -31.9 | 172.1 | -75.8 | 172.8 | 9.5 | 0 | 0 | 113.5 | E516 Q517 Q518 N526 V575 | E516-Q520 WeakPolarHBondContact O-CB 3.41Å; E516-Q520 WeakPolarHBondContact O-CG 3.39Å; E516-Q520 PolarHBondContact O-N 2.74Å; Q517-Q520 PolarHBondContact O-N 2.74Å; Q518-Q520 VanDerWaalsContact C-N 3.31Å; Q518-Q520 PolarHBondContact O-N 3.01Å; Q520-N526 WeakPolarHBondContact O-CB 3.19Å; Q520-N526 PolarHBondContact O-ND2 3.39Å; Q520-V575 HydrophobicContact CB-CG1 4.33Å; Q520-V575 HydrophobicContact CB-CG2 4.26Å |
| 521 | M | 65.3 | Low | 76.4 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 20% | 0.202 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.9 | -35.3 | 172.1 | -74.3 | -147.2 | -177.5 | 0 | 0 | 112.8 | L513 Q517 Q518 V528 L530 A556 M573 | L513-M521 HydrophobicContact CD1-CE 3.53Å; L513-M521 HydrophobicContact CD1-CG 4.3Å; L513-M521 HydrophobicContact CD1-SD 3.71Å; L513-M521 HydrophobicContact CD2-CE 3.85Å; L513-M521 HydrophobicContact CG-CE 4.34Å; Q517-M521 WeakPolarHBondContact O-CG 3.4Å; Q517-M521 PolarHBondContact O-N 3.22Å; Q518-M521 PolarHBondContact O-N 3.44Å; Q518-M521 VanDerWaalsContact O-N 3.17Å; M521-V528 HydrophobicContact CE-CG1 4.22Å; M521-V528 HydrophobicContact CG-CG1 4.49Å; M521-V528 HydrophobicContact CG-CG2 4.2Å; M521-L530 HydrophobicContact CE-CD1 4.21Å; M521-L530 HydrophobicContact CE-CD2 4.23Å; M521-A556 HydrophobicContact SD-CB 4.1Å; M521-M573 HydrophobicContact CE-CE 3.83Å; M521-M573 HydrophobicContact CE-SD 3.4Å; M521-M573 WeakPolarHBondContact CE-SD 3.3Å; M521-M573 HydrophobicContact CG-CE 3.72Å |
| 522 | L | 67.1 | Low | 76.4 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79.6 | -21.6 | -176.4 | -71.2 | 168.8 | 0 | 0 | 0 | 113.3 | Q518 D519 Q524 | Q518-L522 HydrophobicContact CG-CD1 4.31Å; Q518-L522 WeakPolarHBondContact O-CG 3.46Å; Q518-L522 PolarHBondContact O-N 2.82Å; D519-L522 PolarHBondContact O-N 2.86Å; L522-Q524 PolarHBondContact O-N 2.77Å |
| 523 | N | 67.9 | Low | 76.7 | Confident | 74 Ų | 74 | 69.5 Ų | 69.5 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | trans | -70.8 | 109.7 | 176.3 | -174.8 | -10 | 0 | 0 | 0 | 111.4 | D519 S525 N526 | D519-N523 PolarHBondContact O-N 3.39Å; D519-N523 VanDerWaalsContact O-N 3.11Å; N523-S525 PolarHBondContact O-N 3.5Å; N523-S525 WeakPolarHBondContact OD1-CB 3.35Å; N523-S525 PolarHBondContact OD1-N 3.4Å; N523-S525 PolarHBondContact OD1-OG 2.78Å; N523-N526 WeakPolarHBondContact O-CB 3.28Å; N523-N526 PolarHBondContact O-N 3.44Å | ||
| 524 | Q | 58 | Low | 77.1 | Confident | 151 Ų | 151 | 68.3 Ų | 68.3 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -19.5 | 175.6 | -67 | -176.7 | -11.9 | 0 | 0 | 114.1 | L522 N526 E731 | L522-Q524 PolarHBondContact O-N 2.77Å; Q524-N526 PolarHBondContact O-N 2.68Å; Q524-E731 PolarHBondContact NE2-OE1 2.89Å |
| 525 | S | 59.3 | Low | 77.5 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.5 | 175.4 | -40.7 | 0 | 0 | 0 | 0 | 113.6 | N523 L578 | N523-S525 PolarHBondContact O-N 3.5Å; N523-S525 WeakPolarHBondContact OD1-CB 3.35Å; N523-S525 PolarHBondContact OD1-N 3.4Å; N523-S525 PolarHBondContact OD1-OG 2.78Å; S525-L578 WeakPolarHBondContact O-CA 3.49Å; S525-L578 WeakPolarHBondContact O-CB 3.44Å; S525-L578 PolarHBondContact O-N 3.45Å |
| 526 | N | 71.6 | Confident | 77.9 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.6 | -174.2 | -64.3 | -10.1 | 0 | 0 | 0 | 111.5 | Q520 N523 Q524 V575 H577 | Q520-N526 WeakPolarHBondContact O-CB 3.19Å; Q520-N526 PolarHBondContact O-ND2 3.39Å; N523-N526 WeakPolarHBondContact O-CB 3.28Å; N523-N526 PolarHBondContact O-N 3.44Å; Q524-N526 PolarHBondContact O-N 2.68Å; N526-V575 HydrophobicContact CB-CG1 4.03Å; N526-H577 PolarHBondContact OD1-ND1 2.75Å |
| 527 | K | 77.4 | Confident | 78.2 | Confident | 101 Ų | 101 | 53.1 Ų | 53.1 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 109.4 | 167.2 | -170.6 | 171.5 | -178.6 | -179.2 | 0 | 108.9 | F529 V576 L578 | K527-F529 HydrophobicContact CB-CE2 4.39Å; K527-F529 HydrophobicContact CD-CE1 4.29Å; K527-F529 HydrophobicContact CD-CE2 3.89Å; K527-F529 HydrophobicContact CD-CZ 3.59Å; K527-F529 VanDerWaalsContact CE-CZ 3.44Å; K527-F529 HydrophobicContact CG-CD2 4.42Å; K527-F529 HydrophobicContact CG-CE2 3.89Å; K527-F529 HydrophobicContact CG-CZ 4.03Å; K527-V576 WeakPolarHBondContact CA-O 3.45Å; K527-V576 PolarHBondContact N-O 3.28Å; K527-V576 PolarHBondContact O-N 2.77Å; K527-V576 VanDerWaalsContact O-O 3.13Å; K527-L578 HydrophobicContact CB-CB 4.17Å; K527-L578 HydrophobicContact CB-CD1 3.95Å; K527-L578 HydrophobicContact CB-CG 3.92Å |
| 528 | V | 82.6 | Confident | 78.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 24% | 0.242 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.1 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | M521 L530 M573 V575 | M521-V528 HydrophobicContact CE-CG1 4.22Å; M521-V528 HydrophobicContact CG-CG1 4.49Å; M521-V528 HydrophobicContact CG-CG2 4.2Å; V528-L530 HydrophobicContact CG1-CD2 4.39Å; V528-L530 HydrophobicContact CG1-CG 4.25Å; V528-M573 HydrophobicContact CG1-CE 3.93Å; V528-M573 HydrophobicContact CG1-CG 3.81Å; V528-M573 HydrophobicContact CG1-SD 4.23Å; V528-V575 HydrophobicContact CG2-CG2 4.33Å |
| 529 | F | 86.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.6 | 170.1 | -63.7 | -89.5 | 0 | 0 | 0 | 109.3 | Y473 K527 Y531 M573 Q574 V576 | Y473-F529 HydrophobicContact CD2-CE2 4.2Å; Y473-F529 HydrophobicContact CE2-CD2 4.41Å; Y473-F529 HydrophobicContact CE2-CE1 4.48Å; Y473-F529 AromaticContact CE2-CE2 3.58Å; Y473-F529 HydrophobicContact CE2-CE2 3.58Å; Y473-F529 AromaticContact CE2-CZ 3.6Å; Y473-F529 HydrophobicContact CE2-CZ 3.6Å; Y473-F529 AromaticContact CZ-CZ 3.97Å; K527-F529 HydrophobicContact CB-CE2 4.39Å; K527-F529 HydrophobicContact CD-CE1 4.29Å; K527-F529 HydrophobicContact CD-CE2 3.89Å; K527-F529 HydrophobicContact CD-CZ 3.59Å; K527-F529 VanDerWaalsContact CE-CZ 3.44Å; K527-F529 HydrophobicContact CG-CD2 4.42Å; K527-F529 HydrophobicContact CG-CE2 3.89Å; K527-F529 HydrophobicContact CG-CZ 4.03Å; F529-Y531 HydrophobicContact CB-CE1 4.32Å; F529-Y531 HydrophobicContact CB-CE2 3.86Å; F529-M573 WeakPolarHBondContact O-CA 3.37Å; F529-Q574 HydrophobicContact CB-CB 4.46Å; F529-Q574 PolarHBondContact N-O 2.96Å; F529-Q574 PolarHBondContact O-N 3.25Å; F529-V576 HydrophobicContact CD2-CB 4.23Å; F529-V576 HydrophobicContact CD2-CG2 3.79Å; F529-V576 HydrophobicContact CE2-CB 3.94Å; F529-V576 HydrophobicContact CE2-CG2 3.76Å |
| 530 | L | 89.9 | Confident | 77.4 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.4 | 179.5 | -69.6 | 170.4 | 0 | 0 | 0 | 108.9 | M521 V528 R551 I571 L572 M573 | M521-L530 HydrophobicContact CE-CD1 4.21Å; M521-L530 HydrophobicContact CE-CD2 4.23Å; V528-L530 HydrophobicContact CG1-CD2 4.39Å; V528-L530 HydrophobicContact CG1-CG 4.25Å; L530-R551 VanDerWaalsContact CB-NH1 3.28Å; L530-I571 HydrophobicContact CB-CG2 4.45Å; L530-I571 HydrophobicContact CD2-CG2 4.1Å; L530-L572 CarbonylContact C-O 3.51Å; L530-L572 WeakPolarHBondContact CA-O 3.3Å; L530-M573 HydrophobicContact CD2-CB 3.63Å; L530-M573 HydrophobicContact CD2-CG 3.87Å; L530-M573 HydrophobicContact CD2-SD 4.36Å |
| 531 | Y | 90.4 | Very high | 77.1 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 8% | 0.078 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.3 | -174.8 | -54.2 | -72.9 | 0 | 0 | 0 | 110.4 | I467 K469 A470 F529 A533 L572 Q574 | I467-Y531 HydrophobicContact CG2-CD1 3.94Å; I467-Y531 HydrophobicContact CG2-CD2 4.4Å; I467-Y531 HydrophobicContact CG2-CE1 4.15Å; I467-Y531 HydrophobicContact CG2-CG 4.07Å; K469-Y531 HydrophobicContact CB-CE1 3.96Å; K469-Y531 PolarHBondContact O-OH 3.17Å; A470-Y531 HydrophobicContact CB-CE2 3.92Å; F529-Y531 HydrophobicContact CB-CE1 4.32Å; F529-Y531 HydrophobicContact CB-CE2 3.86Å; Y531-A533 PolarHBondContact O-N 3.43Å; Y531-L572 PolarHBondContact N-O 2.84Å; Y531-L572 PolarHBondContact O-N 2.83Å; Y531-Q574 HydrophobicContact CE2-CB 3.84Å; Y531-Q574 PolarHBondContact OH-OE1 3.13Å |
| 532 | C | 90.8 | Very high | 77.6 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 112.1 | 162.8 | -64.5 | 0 | 0 | 0 | 0 | 108 | N546 C549 R551 C561 | C532-N546 WeakPolarHBondContact O-CB 3.4Å; C532-C549 HydrophobicContact CB-CB 4.35Å; C532-R551 WeakPolarHBondContact SG-CA 3.2Å; C532-R551 VanDerWaalsContact SG-CB 3.56Å; C532-C561 HydrophobicContact CB-CB 3.65Å; C532-C561 WeakPolarHBondContact CB-SG 3.13Å; C532-C561 VanDerWaalsContact SG-CA 3.53Å; C532-C561 WeakPolarHBondContact SG-CB 3.42Å; C532-C561 CovalentContact SG-SG 2.02Å; C532-C561 PolarHBondContact SG-SG 3.05Å |
| 533 | A | 92.1 | Very high | 78.5 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 161.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I467 Y531 W544 S545 F569 A570 L572 | I467-A533 HydrophobicContact CD1-CB 3.95Å; Y531-A533 PolarHBondContact O-N 3.43Å; A533-W544 HydrophobicContact CB-CE3 4.11Å; A533-S545 CarbonylContact C-O 3.51Å; A533-S545 WeakPolarHBondContact CA-O 3.32Å; A533-S545 WeakPolarHBondContact CB-O 3.36Å; A533-F569 WeakPolarHBondContact O-CA 3.42Å; A533-A570 PolarHBondContact N-O 3.22Å; A533-A570 PolarHBondContact O-N 2.87Å; A533-A570 VanDerWaalsContact O-O 3.09Å; A533-L572 HydrophobicContact CB-CB 4.45Å; A533-L572 HydrophobicContact CB-CD1 4.15Å; A533-L572 HydrophobicContact CB-CD2 3.9Å; A533-L572 HydrophobicContact CB-CG 4.39Å |
| 534 | F | 90.6 | Very high | 79.5 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 161.5 | 175.3 | 73.3 | -78.4 | 0 | 0 | 0 | 111.3 | D536 W544 S545 E547 H565 T567 N568 F569 | F534-D536 HydrophobicContact CE2-CB 3.95Å; F534-W544 CarbonylContact O-C 3.59Å; F534-W544 WeakPolarHBondContact O-CA 3.41Å; F534-S545 WeakPolarHBondContact CD1-O 3.34Å; F534-S545 PolarHBondContact N-O 2.88Å; F534-S545 PolarHBondContact O-N 3.28Å; F534-E547 WeakPolarHBondContact CE1-O 3.44Å; F534-H565 AromaticContact CD1-CE1 3.43Å; F534-H565 VanDerWaalsContact CD1-CE1 3.43Å; F534-H565 WeakPolarHBondContact CD1-CE1 3.43Å; F534-H565 AromaticContact CD1-NE2 3.61Å; F534-H565 AromaticContact CD2-CE1 3.69Å; F534-H565 AromaticContact CE1-CE1 3.64Å; F534-H565 AromaticContact CE1-NE2 3.38Å; F534-H565 WeakPolarHBondContact CE1-NE2 3.46Å; F534-H565 AromaticContact CE2-CE1 3.88Å; F534-H565 AromaticContact CG-CE1 3.46Å; F534-H565 VanDerWaalsContact CG-CE1 3.46Å; F534-H565 WeakPolarHBondContact CG-CE1 3.38Å; F534-H565 AromaticContact CZ-CE1 3.85Å; F534-H565 AromaticContact CZ-NE2 3.65Å; F534-T567 WeakPolarHBondContact CB-OG1 3.17Å; F534-T567 HydrophobicContact CD2-CG2 4.06Å; F534-T567 WeakPolarHBondContact CD2-OG1 3.41Å; F534-T567 HydrophobicContact CE2-CG2 4.43Å; F534-N568 CarbonylContact C-O 3.54Å; F534-N568 WeakPolarHBondContact CA-O 3.36Å; F534-N568 VanDerWaalsContact CB-O 3.32Å; F534-N568 WeakPolarHBondContact CB-O 3.47Å; F534-F569 HydrophobicContact CB-CD1 3.73Å; F534-F569 HydrophobicContact CB-CE1 3.95Å |
| 535 | L | 87.5 | Confident | 81 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.1 | 179.3 | -161.2 | 58.3 | 0 | 0 | 0 | 110.1 | Y537 G542 W544 N568 | L535-Y537 HydrophobicContact CB-CE2 4.17Å; L535-Y537 HydrophobicContact CD2-CE2 3.98Å; L535-Y537 VanDerWaalsContact CD2-OH 3.26Å; L535-Y537 WeakPolarHBondContact CD2-OH 3.27Å; L535-Y537 HydrophobicContact CG-CE2 3.9Å; L535-G542 VanDerWaalsContact CD1-C 3.41Å; L535-G542 VanDerWaalsContact CD1-O 3.28Å; L535-G542 WeakPolarHBondContact CD1-O 3.46Å; L535-W544 HydrophobicContact CB-CE3 4.47Å; L535-W544 HydrophobicContact CB-CH2 4.39Å; L535-W544 HydrophobicContact CB-CZ3 4.28Å; L535-W544 HydrophobicContact CD1-CD2 3.97Å; L535-W544 HydrophobicContact CD1-CE3 4.47Å; L535-W544 HydrophobicContact CD1-CG 4.22Å; L535-W544 HydrophobicContact CD1-CZ2 4.16Å; L535-N568 HydrophobicContact CB-CB 4.13Å; L535-N568 PolarHBondContact N-O 2.95Å |
| 536 | D | 85.1 | Confident | 82.4 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.1 | 179.1 | 170.6 | 28.2 | 0 | 0 | 0 | 110.7 | R466 F534 S538 G542 V543 | R466-D536 IonicContact CZ-OD2 3.58Å; R466-D536 IonicContact NE-OD2 3.94Å; R466-D536 PolarHBondContact NE-OD2 3.26Å; R466-D536 VanDerWaalsContact NE-OD2 3.11Å; R466-D536 IonicContact NH2-OD2 3.19Å; F534-D536 HydrophobicContact CE2-CB 3.95Å; D536-S538 WeakPolarHBondContact OD1-CB 3.3Å; D536-S538 PolarHBondContact OD1-N 2.99Å; D536-S538 PolarHBondContact OD1-OG 3.13Å; D536-S538 PolarHBondContact OD2-OG 2.98Å; D536-G542 CarbonylContact O-C 3.49Å; D536-G542 WeakPolarHBondContact O-CA 3.41Å; D536-V543 WeakPolarHBondContact CB-O 3.46Å; D536-V543 PolarHBondContact N-O 3.48Å; D536-V543 PolarHBondContact O-N 3.42Å |
| 537 | Y | 81.4 | Confident | 83.1 | Confident | 40 Ų | 40 | 46 Ų | 46 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | trans | -93 | 5 | 179.5 | -69.7 | -88.4 | 0 | 0 | 0 | 113.7 | S370 I373 E374 L535 T539 N540 | S370-Y537 WeakPolarHBondContact O-CE1 3.18Å; S370-Y537 PolarHBondContact O-OH 3.04Å; I373-Y537 WeakPolarHBondContact CG2-OH 3.09Å; E374-Y537 HydrophobicContact CB-CD1 4.13Å; E374-Y537 HydrophobicContact CB-CE1 3.59Å; E374-Y537 HydrophobicContact CG-CD1 4.14Å; E374-Y537 HydrophobicContact CG-CE1 4.13Å; E374-Y537 PolarHBondContact N-OH 2.68Å; E374-Y537 WeakPolarHBondContact OE2-CD1 3.45Å; L535-Y537 HydrophobicContact CB-CE2 4.17Å; L535-Y537 HydrophobicContact CD2-CE2 3.98Å; L535-Y537 VanDerWaalsContact CD2-OH 3.26Å; L535-Y537 WeakPolarHBondContact CD2-OH 3.27Å; L535-Y537 HydrophobicContact CG-CE2 3.9Å; Y537-T539 PolarHBondContact O-N 3.2Å; Y537-N540 PolarHBondContact O-N 3.08Å | ||
| 538 | S | 76.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 42.8 Ų | 42.8 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.3 | -178 | 68.2 | 0 | 0 | 0 | 0 | 115.6 | R466 D536 | R466-S538 PolarHBondContact NH2-OG 3.39Å; D536-S538 WeakPolarHBondContact OD1-CB 3.3Å; D536-S538 PolarHBondContact OD1-N 2.99Å; D536-S538 PolarHBondContact OD1-OG 3.13Å; D536-S538 PolarHBondContact OD2-OG 2.98Å |
| 539 | T | 66.6 | Low | 83.4 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 20 | 178.6 | 65 | 0 | 0 | 0 | 0 | 113.5 | Y537 E541 | Y537-T539 PolarHBondContact O-N 3.2Å; T539-E541 PolarHBondContact O-N 3.46Å |
| 540 | N | 66.2 | Low | 83.4 | Confident | 132 Ų | 132 | 43.6 Ų | 43.6 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 59.3 | -11.6 | -178.3 | -61 | 5.2 | 0 | 0 | 0 | 117.2 | Y537 | Y537-N540 PolarHBondContact O-N 3.08Š|
| 541 | E | 66.2 | Low | 83.3 | Confident | 150 Ų | 150 | 45.4 Ų | 45.4 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -97.5 | -6.6 | -177.5 | -65.4 | -166.1 | 145.2 | 0 | 0 | 114.7 | T539 | T539-E541 PolarHBondContact O-N 3.46Š|
| 542 | G | 75.6 | Confident | 83 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | trans | 69.2 | 86 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | L535 D536 | L535-G542 VanDerWaalsContact CD1-C 3.41Å; L535-G542 VanDerWaalsContact CD1-O 3.28Å; L535-G542 WeakPolarHBondContact CD1-O 3.46Å; D536-G542 CarbonylContact O-C 3.49Å; D536-G542 WeakPolarHBondContact O-CA 3.41Å | ||
| 543 | V | 85.4 | Confident | 82.5 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.4 | -172.6 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | R466 D536 S545 | R466-V543 HydrophobicContact CG-CG1 4.02Å; D536-V543 WeakPolarHBondContact CB-O 3.46Å; D536-V543 PolarHBondContact N-O 3.48Å; D536-V543 PolarHBondContact O-N 3.42Å; V543-S545 PolarHBondContact O-N 3.26Å |
| 544 | W | 89.5 | Confident | 81.8 | Confident | 10 Ų | 10 | 53 Ų | 53 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 128 | 175.5 | -69.3 | 100.7 | 0 | 0 | 0 | 112 | Y457 I460 T465 R466 I480 L484 A533 F534 L535 A570 L572 | Y457-W544 HydrophobicContact CE2-CZ2 4.36Å; I460-W544 HydrophobicContact CD1-CG 4.36Å; T465-W544 CarbonylContact C-O 3.58Å; T465-W544 WeakPolarHBondContact CA-O 3.3Å; T465-W544 WeakPolarHBondContact CB-O 3.28Å; T465-W544 HydrophobicContact CG2-CB 4.06Å; R466-W544 PolarHBondContact N-O 3.23Å; I480-W544 HydrophobicContact CD1-CH2 4Å; I480-W544 HydrophobicContact CD1-CZ2 3.49Å; I480-W544 VanDerWaalsContact CD1-CZ2 3.49Å; L484-W544 HydrophobicContact CD2-CH2 4.15Å; L484-W544 HydrophobicContact CD2-CZ2 4.5Å; L484-W544 HydrophobicContact CG-CH2 4.26Å; A533-W544 HydrophobicContact CB-CE3 4.11Å; F534-W544 CarbonylContact O-C 3.59Å; F534-W544 WeakPolarHBondContact O-CA 3.41Å; L535-W544 HydrophobicContact CB-CE3 4.47Å; L535-W544 HydrophobicContact CB-CH2 4.39Å; L535-W544 HydrophobicContact CB-CZ3 4.28Å; L535-W544 HydrophobicContact CD1-CD2 3.97Å; L535-W544 HydrophobicContact CD1-CE3 4.47Å; L535-W544 HydrophobicContact CD1-CG 4.22Å; L535-W544 HydrophobicContact CD1-CZ2 4.16Å; W544-A570 HydrophobicContact CH2-CB 3.74Å; W544-A570 HydrophobicContact CZ3-CB 3.76Å; W544-L572 HydrophobicContact CB-CD2 3.97Å; W544-L572 HydrophobicContact CD2-CD1 4.27Å; W544-L572 HydrophobicContact CD2-CD2 4.08Å; W544-L572 HydrophobicContact CE3-CD1 4.02Å; W544-L572 HydrophobicContact CE3-CD2 4.28Å; W544-L572 HydrophobicContact CG-CD2 3.95Å; W544-L572 HydrophobicContact CZ3-CD1 4.19Å |
| 545 | S | 88.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.8 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | A533 F534 V543 E547 | A533-S545 CarbonylContact C-O 3.51Å; A533-S545 WeakPolarHBondContact CA-O 3.32Å; A533-S545 WeakPolarHBondContact CB-O 3.36Å; F534-S545 WeakPolarHBondContact CD1-O 3.34Å; F534-S545 PolarHBondContact N-O 2.88Å; F534-S545 PolarHBondContact O-N 3.28Å; V543-S545 PolarHBondContact O-N 3.26Å; S545-E547 PolarHBondContact OG-N 3.06Å |
| 546 | N | 89.6 | Confident | 80.7 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | trans | -120 | 8.5 | 169.7 | 83.4 | -82.6 | 0 | 0 | 0 | 113 | I467 C532 G548 C549 | I467-N546 WeakPolarHBondContact CA-OD1 3.45Å; I467-N546 HydrophobicContact CG1-CB 4.15Å; I467-N546 WeakPolarHBondContact CG2-OD1 3.48Å; C532-N546 WeakPolarHBondContact O-CB 3.4Å; N546-G548 PolarHBondContact O-N 3.41Å; N546-C549 PolarHBondContact O-N 3.29Å; N546-C549 VanDerWaalsContact O-N 3.13Å | ||
| 547 | E | 86.6 | Confident | 80.6 | Confident | 114 Ų | 114 | 60.8 Ų | 60.8 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 134.3 | 178.9 | -66.7 | 175.6 | 169.1 | 0 | 0 | 110.8 | F534 S545 C549 H565 | F534-E547 WeakPolarHBondContact CE1-O 3.44Å; S545-E547 PolarHBondContact OG-N 3.06Å; E547-C549 PolarHBondContact O-N 2.92Å; E547-H565 PolarHBondContact O-NE2 2.93Å |
| 548 | G | 80.1 | Confident | 81 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -4.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.1 | N546 C563 N564 | N546-G548 PolarHBondContact O-N 3.41Å; G548-C563 WeakPolarHBondContact O-CA 3.31Å; G548-N564 WeakPolarHBondContact CA-OD1 3.36Å; G548-N564 PolarHBondContact O-N 2.82Å; G548-N564 VanDerWaalsContact O-N 3.13Å; G548-N564 PolarHBondContact O-OD1 2.82Å |
| 549 | C | 86.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.3 | -179.5 | -74.9 | 0 | 0 | 0 | 0 | 113.2 | C532 N546 E547 M562 C563 F569 | C532-C549 HydrophobicContact CB-CB 4.35Å; N546-C549 PolarHBondContact O-N 3.29Å; N546-C549 VanDerWaalsContact O-N 3.13Å; E547-C549 PolarHBondContact O-N 2.92Å; C549-M562 WeakPolarHBondContact CA-O 3.15Å; C549-C563 HydrophobicContact CB-CB 4.26Å; C549-C563 WeakPolarHBondContact CB-SG 3.38Å; C549-C563 WeakPolarHBondContact SG-CB 3.43Å; C549-C563 CovalentContact SG-SG 2.05Å; C549-C563 PolarHBondContact SG-SG 2.79Å; C549-F569 VanDerWaalsContact SG-CE1 3.59Å |
| 550 | V | 85.3 | Confident | 82.8 | Confident | 94 Ų | 94 | 56.6 Ų | 56.6 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.1 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | S552 C561 M562 | V550-S552 PolarHBondContact O-N 2.81Å; V550-C561 CarbonylContact O-C 3.43Å; V550-C561 WeakPolarHBondContact O-CA 3.36Å; V550-M562 PolarHBondContact N-O 3.48Å; V550-M562 PolarHBondContact O-N 3.44Å |
| 551 | R | 87.5 | Confident | 83.9 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 117.3 | 166.9 | -176.7 | 173 | 166.6 | 158.5 | -15.6 | 108.7 | L530 C532 D553 G554 N555 S559 | L530-R551 VanDerWaalsContact CB-NH1 3.28Å; C532-R551 WeakPolarHBondContact SG-CA 3.2Å; C532-R551 VanDerWaalsContact SG-CB 3.56Å; R551-D553 WeakPolarHBondContact CG-O 3.5Å; R551-D553 PolarHBondContact NE-O 2.82Å; R551-D553 VanDerWaalsContact NE-O 3.1Å; R551-G554 PolarHBondContact NH2-O 3.33Å; R551-N555 PolarHBondContact NH2-O 2.94Å; R551-S559 PolarHBondContact NH1-OG 3.39Å |
| 552 | S | 85.2 | Confident | 85 | Confident | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -34.5 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | V550 V560 | V550-S552 PolarHBondContact O-N 2.81Å; S552-V560 PolarHBondContact N-O 2.83Å |
| 553 | D | 80.3 | Confident | 85.5 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 179.7 | -172.2 | -174.1 | 27.2 | 0 | 0 | 0 | 110.9 | R551 V560 | R551-D553 WeakPolarHBondContact CG-O 3.5Å; R551-D553 PolarHBondContact NE-O 2.82Å; R551-D553 VanDerWaalsContact NE-O 3.1Å; D553-V560 HydrophobicContact CB-CB 4.04Å; D553-V560 HydrophobicContact CB-CG2 4.18Å; D553-V560 PolarHBondContact N-O 2.87Å; D553-V560 PolarHBondContact O-N 3.47Å |
| 554 | G | 76.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.8 | 163.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R551 Y558 | R551-G554 PolarHBondContact NH2-O 3.33Å; G554-Y558 CarbonylContact C-O 3.48Å; G554-Y558 VanDerWaalsContact CA-O 3.24Å; G554-Y558 WeakPolarHBondContact CA-O 3.18Å |
| 555 | N | 81.2 | Confident | 85.3 | Confident | 80 Ų | 80 | 48.7 Ų | 48.7 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | trans | -110.7 | -148.6 | -179.1 | 64.3 | 13.3 | 0 | 0 | 0 | 111.3 | R551 S557 Y558 | R551-N555 PolarHBondContact NH2-O 2.94Å; N555-S557 WeakPolarHBondContact OD1-CA 3.12Å; N555-S557 WeakPolarHBondContact OD1-CB 3.11Å; N555-S557 PolarHBondContact OD1-N 2.76Å; N555-Y558 PolarHBondContact N-O 3.35Å; N555-Y558 WeakPolarHBondContact OD1-CD1 3.37Å; N555-Y558 PolarHBondContact OD1-N 2.79Å | ||
| 556 | A | 75.4 | Confident | 85.1 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -80.2 | -14.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H511 M521 | H511-A556 VanDerWaalsContact ND1-C 3.29Å; H511-A556 PolarHBondContact ND1-O 2.89Å; M521-A556 HydrophobicContact SD-CB 4.1Å |
| 557 | S | 82.2 | Confident | 84.9 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -108.1 | -17.2 | -176 | -50.2 | 0 | 0 | 0 | 0 | 114.2 | T510 H511 N555 | T510-S557 CarbonylContact C-O 3.42Å; T510-S557 WeakPolarHBondContact CA-O 3.24Å; H511-S557 PolarHBondContact N-O 2.91Å; N555-S557 WeakPolarHBondContact OD1-CA 3.12Å; N555-S557 WeakPolarHBondContact OD1-CB 3.11Å; N555-S557 PolarHBondContact OD1-N 2.76Å |
| 558 | Y | 89.6 | Confident | 85 | Confident | 84 Ų | 84 | 44.1 Ų | 44.1 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159.7 | 171.6 | 72.4 | -84.3 | 0 | 0 | 0 | 112.5 | V508 L509 H511 G554 N555 V560 | V508-Y558 HydrophobicContact CG1-CD2 4.4Å; L509-Y558 CarbonylContact O-C 3.55Å; L509-Y558 VanDerWaalsContact O-CA 3.25Å; L509-Y558 WeakPolarHBondContact O-CA 3.23Å; L509-Y558 WeakPolarHBondContact O-CB 3.32Å; H511-Y558 PolarHBondContact CE1-O 2.68Å; H511-Y558 VanDerWaalsContact NE2-C 3.3Å; G554-Y558 CarbonylContact C-O 3.48Å; G554-Y558 VanDerWaalsContact CA-O 3.24Å; G554-Y558 WeakPolarHBondContact CA-O 3.18Å; N555-Y558 PolarHBondContact N-O 3.35Å; N555-Y558 WeakPolarHBondContact OD1-CD1 3.37Å; N555-Y558 PolarHBondContact OD1-N 2.79Å; Y558-V560 HydrophobicContact CD2-CG2 4Å; Y558-V560 HydrophobicContact CE2-CG2 3.72Å |
| 559 | S | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.1 | 171.1 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | L509 H511 R551 I571 | L509-S559 PolarHBondContact N-O 3.12Å; L509-S559 VanDerWaalsContact N-O 3.1Å; L509-S559 PolarHBondContact O-N 2.94Å; H511-S559 PolarHBondContact NE2-N 3.26Å; H511-S559 PolarHBondContact NE2-OG 3.19Å; R551-S559 PolarHBondContact NH1-OG 3.39Å; S559-I571 VanDerWaalsContact CB-CD1 3.49Å |
| 560 | V | 90.5 | Very high | 85.8 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.1 | 167.1 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | K506 I507 V508 S552 D553 Y558 | K506-V560 HydrophobicContact CD-CG1 4.48Å; K506-V560 HydrophobicContact CG-CG1 4.09Å; I507-V560 WeakPolarHBondContact O-CA 3.45Å; V508-V560 HydrophobicContact CG2-CG1 4.39Å; V508-V560 HydrophobicContact CG2-CG2 4.37Å; S552-V560 PolarHBondContact N-O 2.83Å; D553-V560 HydrophobicContact CB-CB 4.04Å; D553-V560 HydrophobicContact CB-CG2 4.18Å; D553-V560 PolarHBondContact N-O 2.87Å; D553-V560 PolarHBondContact O-N 3.47Å; Y558-V560 HydrophobicContact CD2-CG2 4Å; Y558-V560 HydrophobicContact CE2-CG2 3.72Å |
| 561 | C | 90.7 | Very high | 86.1 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.034 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.7 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | I507 C532 V550 I571 | I507-C561 HydrophobicContact CB-CB 4.18Å; I507-C561 PolarHBondContact N-O 3.46Å; I507-C561 PolarHBondContact O-N 3.13Å; C532-C561 HydrophobicContact CB-CB 3.65Å; C532-C561 WeakPolarHBondContact CB-SG 3.13Å; C532-C561 VanDerWaalsContact SG-CA 3.53Å; C532-C561 WeakPolarHBondContact SG-CB 3.42Å; C532-C561 CovalentContact SG-SG 2.02Å; C532-C561 PolarHBondContact SG-SG 3.05Å; V550-C561 CarbonylContact O-C 3.43Å; V550-C561 WeakPolarHBondContact O-CA 3.36Å; C561-I571 WeakPolarHBondContact SG-CD1 3.38Å |
| 562 | M | 88.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 27% | 0.271 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.6 | 169 | -64.2 | -175.9 | 74.7 | 0 | 0 | 108.2 | P503 I505 C549 V550 | P503-M562 HydrophobicContact CB-CB 4.04Å; P503-M562 HydrophobicContact CG-CB 3.96Å; P503-M562 VanDerWaalsContact O-CE 3.28Å; P503-M562 WeakPolarHBondContact O-CE 3.48Å; I505-M562 WeakPolarHBondContact O-CA 3.43Å; C549-M562 WeakPolarHBondContact CA-O 3.15Å; V550-M562 PolarHBondContact N-O 3.48Å; V550-M562 PolarHBondContact O-N 3.44Å |
| 563 | C | 87.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 159.1 | -175 | -66 | 0 | 0 | 0 | 0 | 111.7 | P503 I505 I507 G548 C549 F569 | P503-C563 WeakPolarHBondContact CB-O 3.49Å; I505-C563 PolarHBondContact N-O 2.97Å; I505-C563 VanDerWaalsContact N-O 3.08Å; I505-C563 PolarHBondContact O-N 3.38Å; I507-C563 HydrophobicContact CD1-CB 4.44Å; G548-C563 WeakPolarHBondContact O-CA 3.31Å; C549-C563 HydrophobicContact CB-CB 4.26Å; C549-C563 WeakPolarHBondContact CB-SG 3.38Å; C549-C563 WeakPolarHBondContact SG-CB 3.43Å; C549-C563 CovalentContact SG-SG 2.05Å; C549-C563 PolarHBondContact SG-SG 2.79Å; C563-F569 HydrophobicContact CB-CE1 4.23Å; C563-F569 HydrophobicContact CB-CZ 4.45Å |
| 564 | N | 85.3 | Confident | 86.5 | Confident | 68 Ų | 68 | 26.8 Ų | 26.8 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -111.8 | 8.6 | 177.3 | 72.9 | -15.8 | 0 | 0 | 0 | 114.2 | L495 G548 | L495-N564 WeakPolarHBondContact CB-O 3.08Å; L495-N564 VanDerWaalsContact CD1-O 3.31Å; L495-N564 WeakPolarHBondContact CD1-O 3.1Å; G548-N564 WeakPolarHBondContact CA-OD1 3.36Å; G548-N564 PolarHBondContact O-N 2.82Å; G548-N564 VanDerWaalsContact O-N 3.13Å; G548-N564 PolarHBondContact O-OD1 2.82Å |
| 565 | H | 84.5 | Confident | 86.7 | Confident | 37 Ų | 37 | 26.7 Ų | 26.7 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -140.8 | 175.4 | 178.7 | 61 | 71.4 | 0 | 0 | 0 | 111.4 | I505 F534 E547 T567 F569 | I505-H565 WeakPolarHBondContact CD1-O 3.29Å; F534-H565 AromaticContact CD1-CE1 3.43Å; F534-H565 VanDerWaalsContact CD1-CE1 3.43Å; F534-H565 WeakPolarHBondContact CD1-CE1 3.43Å; F534-H565 AromaticContact CD1-NE2 3.61Å; F534-H565 AromaticContact CD2-CE1 3.69Å; F534-H565 AromaticContact CE1-CE1 3.64Å; F534-H565 AromaticContact CE1-NE2 3.38Å; F534-H565 WeakPolarHBondContact CE1-NE2 3.46Å; F534-H565 AromaticContact CE2-CE1 3.88Å; F534-H565 AromaticContact CG-CE1 3.46Å; F534-H565 VanDerWaalsContact CG-CE1 3.46Å; F534-H565 WeakPolarHBondContact CG-CE1 3.38Å; F534-H565 AromaticContact CZ-CE1 3.85Å; F534-H565 AromaticContact CZ-NE2 3.65Å; E547-H565 PolarHBondContact O-NE2 2.93Å; H565-T567 PolarHBondContact CE1-OG1 2.78Å; H565-T567 PolarHBondContact ND1-OG1 2.93Å; H565-F569 AromaticContact CE1-CE1 3.62Å; H565-F569 AromaticContact ND1-CE1 3.81Å; H565-F569 AromaticContact ND1-CZ 3.71Å; H565-F569 WeakPolarHBondContact O-CZ 3.39Å |
| 566 | L | 84.6 | Confident | 86.3 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | trans | -128.8 | 107.2 | -176 | -78.7 | 175.6 | 0 | 0 | 0 | 109.3 | V432 L487 V489 P493 L495 I505 | V432-L566 HydrophobicContact CG2-CD2 4.02Å; L487-L566 HydrophobicContact CB-CD2 4.26Å; L487-L566 HydrophobicContact CD2-CD2 4.02Å; L487-L566 HydrophobicContact CG-CD2 4.2Å; L487-L566 WeakPolarHBondContact O-CB 3.45Å; V489-L566 HydrophobicContact CB-CD1 4Å; V489-L566 HydrophobicContact CG2-CD1 3.68Å; P493-L566 HydrophobicContact CG-CD1 3.97Å; L495-L566 HydrophobicContact CD1-CG 4.39Å; I505-L566 HydrophobicContact CD1-CD1 4.44Å; I505-L566 HydrophobicContact CD1-CD2 3.69Å; I505-L566 HydrophobicContact CD1-CG 3.65Å; I505-L566 HydrophobicContact CG1-CD2 4.47Å; I505-L566 HydrophobicContact CG2-CD2 4.37Å | ||
| 567 | T | 85.5 | Confident | 85.4 | Confident | 38 Ų | 38 | 25.4 Ų | 25.4 | 23% | 0.233 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -151.4 | -165.9 | -170.9 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | F534 H565 F569 | F534-T567 WeakPolarHBondContact CB-OG1 3.17Å; F534-T567 HydrophobicContact CD2-CG2 4.06Å; F534-T567 WeakPolarHBondContact CD2-OG1 3.41Å; F534-T567 HydrophobicContact CE2-CG2 4.43Å; H565-T567 PolarHBondContact CE1-OG1 2.78Å; H565-T567 PolarHBondContact ND1-OG1 2.93Å; T567-F569 WeakPolarHBondContact O-CD2 3.15Å; T567-F569 WeakPolarHBondContact O-CE2 3.2Å; T567-F569 WeakPolarHBondContact OG1-CE1 3.34Å; T567-F569 VanDerWaalsContact OG1-CZ 3.29Å; T567-F569 WeakPolarHBondContact OG1-CZ 3.43Å |
| 568 | N | 89.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.3 | 174.7 | -78 | -85.3 | 0 | 0 | 0 | 110.9 | I373 D377 S486 F534 L535 | I373-N568 VanDerWaalsContact CG2-OD1 3.3Å; I373-N568 WeakPolarHBondContact CG2-OD1 3.47Å; D377-N568 PolarHBondContact OD2-ND2 2.85Å; S486-N568 WeakPolarHBondContact CB-OD1 3.48Å; S486-N568 PolarHBondContact OG-OD1 3.14Å; F534-N568 CarbonylContact C-O 3.54Å; F534-N568 WeakPolarHBondContact CA-O 3.36Å; F534-N568 VanDerWaalsContact CB-O 3.32Å; F534-N568 WeakPolarHBondContact CB-O 3.47Å; L535-N568 HydrophobicContact CB-CB 4.13Å; L535-N568 PolarHBondContact N-O 2.95Å |
| 569 | F | 91.7 | Very high | 81.7 | Confident | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149.3 | -173.2 | -58.1 | -80.9 | 0 | 0 | 0 | 114.4 | I430 L484 I485 I507 A533 F534 C549 C563 H565 T567 | I430-F569 HydrophobicContact CD1-CD2 3.95Å; I430-F569 HydrophobicContact CD1-CE2 4.3Å; L484-F569 WeakPolarHBondContact CA-O 3.33Å; I485-F569 HydrophobicContact CG2-CB 4.08Å; I485-F569 PolarHBondContact N-O 2.83Å; I485-F569 PolarHBondContact O-N 3.42Å; I507-F569 HydrophobicContact CD1-CB 4.14Å; I507-F569 HydrophobicContact CD1-CD1 3.64Å; I507-F569 HydrophobicContact CD1-CD2 3.43Å; I507-F569 VanDerWaalsContact CD1-CD2 3.43Å; I507-F569 HydrophobicContact CD1-CE1 3.81Å; I507-F569 HydrophobicContact CD1-CE2 3.58Å; I507-F569 HydrophobicContact CD1-CG 3.45Å; I507-F569 VanDerWaalsContact CD1-CG 3.45Å; I507-F569 HydrophobicContact CD1-CZ 3.78Å; A533-F569 WeakPolarHBondContact O-CA 3.42Å; F534-F569 HydrophobicContact CB-CD1 3.73Å; F534-F569 HydrophobicContact CB-CE1 3.95Å; C549-F569 VanDerWaalsContact SG-CE1 3.59Å; C563-F569 HydrophobicContact CB-CE1 4.23Å; C563-F569 HydrophobicContact CB-CZ 4.45Å; H565-F569 AromaticContact CE1-CE1 3.62Å; H565-F569 AromaticContact ND1-CE1 3.81Å; H565-F569 AromaticContact ND1-CZ 3.71Å; H565-F569 WeakPolarHBondContact O-CZ 3.39Å; T567-F569 WeakPolarHBondContact O-CD2 3.15Å; T567-F569 WeakPolarHBondContact O-CE2 3.2Å; T567-F569 WeakPolarHBondContact OG1-CE1 3.34Å; T567-F569 VanDerWaalsContact OG1-CZ 3.29Å; T567-F569 WeakPolarHBondContact OG1-CZ 3.43Å |
| 570 | A | 91.7 | Very high | 79.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I480 L484 A533 W544 L572 | I480-A570 HydrophobicContact CG2-CB 4.24Å; L484-A570 HydrophobicContact CD1-CB 4.29Å; L484-A570 HydrophobicContact CG-CB 4.21Å; A533-A570 PolarHBondContact N-O 3.22Å; A533-A570 PolarHBondContact O-N 2.87Å; A533-A570 VanDerWaalsContact O-O 3.09Å; W544-A570 HydrophobicContact CH2-CB 3.74Å; W544-A570 HydrophobicContact CZ3-CB 3.76Å; A570-L572 HydrophobicContact CB-CD1 4Å |
| 571 | I | 91.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 121.5 | 165.9 | -51.9 | -54 | 0 | 0 | 0 | 109.2 | A481 S482 L509 L530 S559 C561 | A481-I571 HydrophobicContact CB-CG2 4.49Å; A481-I571 PolarHBondContact N-O 3.07Å; S482-I571 PolarHBondContact OG-N 2.89Å; L509-I571 HydrophobicContact CB-CD1 4.17Å; L509-I571 HydrophobicContact CB-CG1 3.7Å; L509-I571 HydrophobicContact CD1-CD1 3.99Å; L509-I571 HydrophobicContact CD1-CG1 3.9Å; L509-I571 HydrophobicContact CG-CG1 4.46Å; L530-I571 HydrophobicContact CB-CG2 4.45Å; L530-I571 HydrophobicContact CD2-CG2 4.1Å; S559-I571 VanDerWaalsContact CB-CD1 3.49Å; C561-I571 WeakPolarHBondContact SG-CD1 3.38Å |
| 572 | L | 89.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.7 | 176.2 | -94.6 | 57.7 | 0 | 0 | 0 | 109.9 | I460 I467 I478 I480 L530 Y531 A533 W544 A570 | I460-L572 HydrophobicContact CD1-CD2 4.17Å; I460-L572 HydrophobicContact CD1-CG 4.31Å; I467-L572 HydrophobicContact CD1-CD2 3.84Å; I478-L572 HydrophobicContact CG2-CB 3.69Å; I478-L572 HydrophobicContact CG2-CD2 4.05Å; I478-L572 HydrophobicContact CG2-CG 3.86Å; I480-L572 HydrophobicContact CD1-CD1 4.33Å; I480-L572 HydrophobicContact CG1-CD1 3.92Å; L530-L572 CarbonylContact C-O 3.51Å; L530-L572 WeakPolarHBondContact CA-O 3.3Å; Y531-L572 PolarHBondContact N-O 2.84Å; Y531-L572 PolarHBondContact O-N 2.83Å; A533-L572 HydrophobicContact CB-CB 4.45Å; A533-L572 HydrophobicContact CB-CD1 4.15Å; A533-L572 HydrophobicContact CB-CD2 3.9Å; A533-L572 HydrophobicContact CB-CG 4.39Å; W544-L572 HydrophobicContact CB-CD2 3.97Å; W544-L572 HydrophobicContact CD2-CD1 4.27Å; W544-L572 HydrophobicContact CD2-CD2 4.08Å; W544-L572 HydrophobicContact CE3-CD1 4.02Å; W544-L572 HydrophobicContact CE3-CD2 4.28Å; W544-L572 HydrophobicContact CG-CD2 3.95Å; W544-L572 HydrophobicContact CZ3-CD1 4.19Å; A570-L572 HydrophobicContact CB-CD1 4Å |
| 573 | M | 86.8 | Confident | 74.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.3 | -177.3 | 174.9 | 171.5 | 162.8 | 0 | 0 | 110.5 | I478 Q479 A481 L513 Q517 M521 V528 F529 L530 V575 | I478-M573 CarbonylContact C-O 3.6Å; I478-M573 WeakPolarHBondContact CA-O 3.26Å; I478-M573 WeakPolarHBondContact CG2-O 3.43Å; Q479-M573 PolarHBondContact N-O 3.38Å; Q479-M573 PolarHBondContact O-N 2.91Å; A481-M573 HydrophobicContact CB-CB 3.73Å; A481-M573 HydrophobicContact CB-SD 4.3Å; L513-M573 HydrophobicContact CD2-SD 3.81Å; Q517-M573 HydrophobicContact CB-CE 4.06Å; Q517-M573 HydrophobicContact CG-CE 4.38Å; M521-M573 HydrophobicContact CE-CE 3.83Å; M521-M573 HydrophobicContact CE-SD 3.4Å; M521-M573 WeakPolarHBondContact CE-SD 3.3Å; M521-M573 HydrophobicContact CG-CE 3.72Å; V528-M573 HydrophobicContact CG1-CE 3.93Å; V528-M573 HydrophobicContact CG1-CG 3.81Å; V528-M573 HydrophobicContact CG1-SD 4.23Å; F529-M573 WeakPolarHBondContact O-CA 3.37Å; L530-M573 HydrophobicContact CD2-CB 3.63Å; L530-M573 HydrophobicContact CD2-CG 3.87Å; L530-M573 HydrophobicContact CD2-SD 4.36Å; M573-V575 HydrophobicContact CE-CG2 3.4Å; M573-V575 HydrophobicContact CG-CG2 4.36Å |
| 574 | Q | 85.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114 | 172.8 | -168.4 | -179.4 | 29.3 | 0 | 0 | 108.2 | A470 Y473 H476 I478 F529 Y531 V576 | A470-Q574 PolarHBondContact O-NE2 2.85Å; Y473-Q574 PolarHBondContact O-NE2 3.25Å; H476-Q574 HydrophobicContact CB-CG 4.27Å; H476-Q574 PolarHBondContact O-NE2 3.34Å; I478-Q574 HydrophobicContact CG1-CB 4.27Å; I478-Q574 HydrophobicContact CG1-CG 4.17Å; F529-Q574 HydrophobicContact CB-CB 4.46Å; F529-Q574 PolarHBondContact N-O 2.96Å; F529-Q574 PolarHBondContact O-N 3.25Å; Y531-Q574 HydrophobicContact CE2-CB 3.84Å; Y531-Q574 PolarHBondContact OH-OE1 3.13Å; Q574-V576 HydrophobicContact CG-CG2 4.21Å |
| 575 | V | 79.3 | Confident | 72.3 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117.5 | 173.9 | -177 | 0 | 0 | 0 | 0 | 107.7 | H476 Q520 N526 V528 M573 | H476-V575 PolarHBondContact CD2-O 2.03Å; Q520-V575 HydrophobicContact CB-CG1 4.33Å; Q520-V575 HydrophobicContact CB-CG2 4.26Å; N526-V575 HydrophobicContact CB-CG1 4.03Å; V528-V575 HydrophobicContact CG2-CG2 4.33Å; M573-V575 HydrophobicContact CE-CG2 3.4Å; M573-V575 HydrophobicContact CG-CG2 4.36Å |
| 576 | V | 72.6 | Confident | 71.6 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.7 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | Y473 H476 K527 F529 Q574 L578 | Y473-V576 HydrophobicContact CD1-CB 4.5Å; Y473-V576 HydrophobicContact CD1-CG1 3.66Å; Y473-V576 HydrophobicContact CD1-CG2 3.99Å; Y473-V576 HydrophobicContact CD2-CG2 3.85Å; Y473-V576 HydrophobicContact CE1-CG1 3.71Å; Y473-V576 HydrophobicContact CE1-CG2 4.47Å; Y473-V576 HydrophobicContact CE2-CG2 4.34Å; Y473-V576 HydrophobicContact CG-CG1 4.22Å; Y473-V576 HydrophobicContact CG-CG2 3.65Å; H476-V576 HydrophobicContact CB-CG2 4.27Å; K527-V576 WeakPolarHBondContact CA-O 3.45Å; K527-V576 PolarHBondContact N-O 3.28Å; K527-V576 PolarHBondContact O-N 2.77Å; K527-V576 VanDerWaalsContact O-O 3.13Å; F529-V576 HydrophobicContact CD2-CB 4.23Å; F529-V576 HydrophobicContact CD2-CG2 3.79Å; F529-V576 HydrophobicContact CE2-CB 3.94Å; F529-V576 HydrophobicContact CE2-CG2 3.76Å; Q574-V576 HydrophobicContact CG-CG2 4.21Å; V576-L578 PolarHBondContact O-N 2.94Å |
| 577 | H | 57.8 | Low | 71 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 126 | 176.2 | -62.7 | -65.6 | 0 | 0 | 0 | 109.5 | H476 N526 E579 | H476-H577 AromaticContact NE2-CD2 3.91Å; N526-H577 PolarHBondContact OD1-ND1 2.75Å; H577-E579 PolarHBondContact O-N 3.01Å |
| 578 | L | 50.2 | Low | 70.4 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 52% | 0.518 | 27% | 0.271 | S | S | . | . | trans | -79.2 | 45.8 | -176 | -145.8 | 173.9 | 0 | 0 | 0 | 110.7 | S525 K527 V576 L580 | S525-L578 WeakPolarHBondContact O-CA 3.49Å; S525-L578 WeakPolarHBondContact O-CB 3.44Å; S525-L578 PolarHBondContact O-N 3.45Å; K527-L578 HydrophobicContact CB-CB 4.17Å; K527-L578 HydrophobicContact CB-CD1 3.95Å; K527-L578 HydrophobicContact CB-CG 3.92Å; V576-L578 PolarHBondContact O-N 2.94Å; L578-L580 PolarHBondContact O-N 3.43Å | ||
| 579 | E | 42.9 | Very low | 69.8 | Low | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | trans | -66.7 | 129.3 | 164.5 | -68 | -112.3 | 99.3 | 0 | 0 | 108.2 | H577 T581 K585 | H577-E579 PolarHBondContact O-N 3.01Å; E579-T581 PolarHBondContact O-N 2.88Å; E579-K585 WeakPolarHBondContact OE1-CD 3.34Å; E579-K585 IonicContact OE1-NZ 3.89Å; E579-K585 PolarHBondContact OE1-NZ 3.1Å | ||
| 580 | L | 51.1 | Low | 69.4 | Low | 94 Ų | 94 | 55 Ų | 55 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -50.8 | 118.6 | 144.1 | -86.3 | 70.1 | 0 | 0 | 0 | 105.1 | L578 H584 K585 L810 | L578-L580 PolarHBondContact O-N 3.43Å; L580-H584 HydrophobicContact CB-CB 4.46Å; L580-K585 HydrophobicContact CB-CB 4.45Å; L580-K585 WeakPolarHBondContact O-CB 3.28Å; L580-L810 HydrophobicContact CD2-CD2 4Å |
| 581 | T | 50.7 | Low | 69 | Low | 89 Ų | 89 | 57 Ų | 57 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -34.9 | 133.5 | -168.6 | -43.4 | 0 | 0 | 0 | 0 | 110.8 | E579 G583 H584 K585 | E579-T581 PolarHBondContact O-N 2.88Å; T581-G583 CarbonylContact O-C 3.59Å; T581-G583 PolarHBondContact O-N 2.7Å; T581-H584 WeakPolarHBondContact O-CA 3.45Å; T581-H584 WeakPolarHBondContact O-CB 3.26Å; T581-H584 PolarHBondContact O-N 3.35Å; T581-K585 PolarHBondContact O-N 2.83Å; T581-K585 VanDerWaalsContact O-N 3.13Å |
| 582 | P | 55.1 | Low | 68.7 | Low | 82 Ų | 82 | 57.9 Ų | 57.9 | 53% | 0.532 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -46.8 | -38.9 | -169.7 | -33.5 | 35 | 0 | 0 | 0 | 114.6 | K585 M586 | P582-K585 PolarHBondContact O-N 3.03Å; P582-M586 WeakPolarHBondContact O-CB 3.45Å; P582-M586 PolarHBondContact O-N 3.47Å |
| 583 | G | 55.6 | Low | 68.5 | Low | 50 Ų | 50 | 61.8 Ų | 61.8 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | T581 A587 | T581-G583 CarbonylContact O-C 3.59Å; T581-G583 PolarHBondContact O-N 2.7Å; G583-A587 WeakPolarHBondContact O-CB 3.37Å; G583-A587 PolarHBondContact O-N 3.23Å |
| 584 | H | 60.6 | Low | 68.7 | Low | 70 Ų | 70 | 65.5 Ų | 65.5 | 32% | 0.324 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 171.6 | -80.9 | 75.6 | 0 | 0 | 0 | 112.2 | L580 T581 M586 A587 L588 Y811 | L580-H584 HydrophobicContact CB-CB 4.46Å; T581-H584 WeakPolarHBondContact O-CA 3.45Å; T581-H584 WeakPolarHBondContact O-CB 3.26Å; T581-H584 PolarHBondContact O-N 3.35Å; H584-M586 VanDerWaalsContact C-N 3.34Å; H584-M586 PolarHBondContact O-N 2.99Å; H584-A587 PolarHBondContact O-N 3.21Å; H584-L588 WeakPolarHBondContact O-CB 3.35Å; H584-L588 PolarHBondContact O-N 3.07Å; H584-Y811 AromaticContact CD2-CE2 3.44Å; H584-Y811 VanDerWaalsContact CD2-CE2 3.44Å; H584-Y811 WeakPolarHBondContact CD2-CE2 3.44Å; H584-Y811 AromaticContact CD2-CZ 3.56Å; H584-Y811 PolarHBondContact CD2-OH 3.45Å; H584-Y811 AromaticContact NE2-CE2 3.63Å; H584-Y811 PolarHBondContact NE2-OH 3.32Å |
| 585 | K | 60.9 | Low | 68.8 | Low | 115 Ų | 115 | 65.8 Ų | 65.8 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.2 | -173.5 | 179.1 | -178 | -173.5 | 0 | 111 | E579 L580 T581 P582 S589 | E579-K585 WeakPolarHBondContact OE1-CD 3.34Å; E579-K585 IonicContact OE1-NZ 3.89Å; E579-K585 PolarHBondContact OE1-NZ 3.1Å; L580-K585 HydrophobicContact CB-CB 4.45Å; L580-K585 WeakPolarHBondContact O-CB 3.28Å; T581-K585 PolarHBondContact O-N 2.83Å; T581-K585 VanDerWaalsContact O-N 3.13Å; P582-K585 PolarHBondContact O-N 3.03Å; K585-S589 WeakPolarHBondContact O-CB 3.46Å; K585-S589 PolarHBondContact O-N 3.25Å |
| 586 | M | 69.8 | Low | 69.3 | Low | 137 Ų | 137 | 65.2 Ų | 65.2 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | 174.8 | -170.9 | 177.9 | -172.4 | 0 | 0 | 112.5 | P582 H584 T590 | P582-M586 WeakPolarHBondContact O-CB 3.45Å; P582-M586 PolarHBondContact O-N 3.47Å; H584-M586 VanDerWaalsContact C-N 3.34Å; H584-M586 PolarHBondContact O-N 2.99Å; M586-T590 VanDerWaalsContact O-CB 3.31Å; M586-T590 WeakPolarHBondContact O-CB 3.14Å; M586-T590 PolarHBondContact O-N 3.42Å; M586-T590 PolarHBondContact O-OG1 3.44Å |
| 587 | A | 72.9 | Confident | 70.1 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G583 H584 S589 T590 I591 Y811 | G583-A587 WeakPolarHBondContact O-CB 3.37Å; G583-A587 PolarHBondContact O-N 3.23Å; H584-A587 PolarHBondContact O-N 3.21Å; A587-S589 PolarHBondContact O-N 2.85Å; A587-T590 PolarHBondContact O-N 3.46Å; A587-I591 WeakPolarHBondContact O-CB 3.45Å; A587-I591 VanDerWaalsContact O-CG1 3.25Å; A587-I591 WeakPolarHBondContact O-CG1 3.49Å; A587-I591 PolarHBondContact O-N 2.86Å; A587-Y811 HydrophobicContact CB-CE1 4.15Å |
| 588 | L | 73.8 | Confident | 71.8 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.8 | -152.4 | 75.5 | 0 | 0 | 0 | 111.4 | H584 I591 G592 L810 Y811 A814 | H584-L588 WeakPolarHBondContact O-CB 3.35Å; H584-L588 PolarHBondContact O-N 3.07Å; L588-I591 PolarHBondContact O-N 3.12Å; L588-G592 PolarHBondContact O-N 2.81Å; L588-L810 HydrophobicContact CD1-CG 4.3Å; L588-L810 HydrophobicContact CD2-CD1 4.19Å; L588-L810 HydrophobicContact CD2-CD2 3.87Å; L588-L810 HydrophobicContact CD2-CG 3.86Å; L588-Y811 HydrophobicContact CD1-CD1 3.74Å; L588-Y811 HydrophobicContact CD1-CE1 4.1Å; L588-Y811 HydrophobicContact CD1-CG 4.38Å; L588-A814 HydrophobicContact CD1-CB 3.48Å; L588-A814 VanDerWaalsContact CD1-CB 3.48Å; L588-A814 HydrophobicContact CG-CB 4.06Å |
| 589 | S | 76.9 | Confident | 73.9 | Confident | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 171.2 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | K585 A587 G592 Y593 | K585-S589 WeakPolarHBondContact O-CB 3.46Å; K585-S589 PolarHBondContact O-N 3.25Å; A587-S589 PolarHBondContact O-N 2.85Å; S589-G592 PolarHBondContact O-N 2.92Å; S589-Y593 WeakPolarHBondContact O-CD2 3.45Å; S589-Y593 PolarHBondContact O-N 2.8Å |
| 590 | T | 81.6 | Confident | 76.3 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.8 | M586 A587 G592 Y593 V594 | M586-T590 VanDerWaalsContact O-CB 3.31Å; M586-T590 WeakPolarHBondContact O-CB 3.14Å; M586-T590 PolarHBondContact O-N 3.42Å; M586-T590 PolarHBondContact O-OG1 3.44Å; A587-T590 PolarHBondContact O-N 3.46Å; T590-G592 VanDerWaalsContact C-N 3.3Å; T590-G592 PolarHBondContact O-N 2.83Å; T590-Y593 PolarHBondContact O-N 2.84Å; T590-V594 HydrophobicContact CG2-CG2 4.04Å; T590-V594 VanDerWaalsContact O-CB 3.28Å; T590-V594 WeakPolarHBondContact O-CB 3.4Å; T590-V594 VanDerWaalsContact O-CG2 3.31Å; T590-V594 WeakPolarHBondContact O-CG2 3.4Å; T590-V594 PolarHBondContact O-N 3.45Å |
| 591 | I | 84.8 | Confident | 78.3 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 22% | 0.221 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 174.4 | -71.5 | 163.8 | 0 | 0 | 0 | 111.1 | A587 L588 G595 Y811 A814 I815 S818 | A587-I591 WeakPolarHBondContact O-CB 3.45Å; A587-I591 VanDerWaalsContact O-CG1 3.25Å; A587-I591 WeakPolarHBondContact O-CG1 3.49Å; A587-I591 PolarHBondContact O-N 2.86Å; L588-I591 PolarHBondContact O-N 3.12Å; I591-G595 WeakPolarHBondContact O-CA 3.43Å; I591-G595 PolarHBondContact O-N 3.04Å; I591-Y811 HydrophobicContact CD1-CD1 3.86Å; I591-Y811 HydrophobicContact CD1-CE1 4.08Å; I591-A814 HydrophobicContact CG2-CB 4.25Å; I591-I815 HydrophobicContact CD1-CG1 4.3Å; I591-I815 HydrophobicContact CG2-CB 4.49Å; I591-I815 HydrophobicContact CG2-CG1 3.7Å; I591-S818 WeakPolarHBondContact O-CB 3.41Å; I591-S818 PolarHBondContact O-OG 3.49Å |
| 592 | G | 83.8 | Confident | 80.3 | Confident | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -61.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L588 S589 T590 V594 G595 C596 | L588-G592 PolarHBondContact O-N 2.81Å; S589-G592 PolarHBondContact O-N 2.92Å; T590-G592 VanDerWaalsContact C-N 3.3Å; T590-G592 PolarHBondContact O-N 2.83Å; G592-V594 PolarHBondContact O-N 3.22Å; G592-G595 PolarHBondContact O-N 3.41Å; G592-C596 VanDerWaalsContact O-CB 3.24Å; G592-C596 WeakPolarHBondContact O-CB 3.24Å; G592-C596 PolarHBondContact O-N 3.04Å; G592-C596 PolarHBondContact O-SG 3.36Å |
| 593 | Y | 86 | Confident | 82.1 | Confident | 81 Ų | 81 | 54 Ų | 54 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | -177.2 | -88.4 | -77 | 0 | 0 | 0 | 113.2 | S589 T590 S597 L642 | S589-Y593 WeakPolarHBondContact O-CD2 3.45Å; S589-Y593 PolarHBondContact O-N 2.8Å; T590-Y593 PolarHBondContact O-N 2.84Å; Y593-S597 VanDerWaalsContact O-CB 3.29Å; Y593-S597 WeakPolarHBondContact O-CB 3.03Å; Y593-S597 PolarHBondContact O-N 2.98Å; Y593-S597 VanDerWaalsContact O-N 3.1Å; Y593-S597 PolarHBondContact O-OG 2.92Å; Y593-L642 HydrophobicContact CD1-CD2 3.7Å; Y593-L642 HydrophobicContact CE1-CD2 3.94Å; Y593-L642 HydrophobicContact CG-CD2 4.3Å |
| 594 | V | 90 | Very high | 83.8 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.2 | -44.2 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | T590 G592 S597 I598 | T590-V594 HydrophobicContact CG2-CG2 4.04Å; T590-V594 VanDerWaalsContact O-CB 3.28Å; T590-V594 WeakPolarHBondContact O-CB 3.4Å; T590-V594 VanDerWaalsContact O-CG2 3.31Å; T590-V594 WeakPolarHBondContact O-CG2 3.4Å; T590-V594 PolarHBondContact O-N 3.45Å; G592-V594 PolarHBondContact O-N 3.22Å; V594-S597 PolarHBondContact O-N 3.35Å; V594-I598 HydrophobicContact CG1-CD1 4.04Å; V594-I598 WeakPolarHBondContact O-CG1 3.43Å; V594-I598 PolarHBondContact O-N 3.28Å; V594-I598 VanDerWaalsContact O-N 3.15Å |
| 595 | G | 88.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.8 | -55.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I591 G592 S597 I598 S599 S818 | I591-G595 WeakPolarHBondContact O-CA 3.43Å; I591-G595 PolarHBondContact O-N 3.04Å; G592-G595 PolarHBondContact O-N 3.41Å; G595-S597 PolarHBondContact O-N 3.46Å; G595-I598 WeakPolarHBondContact O-CB 3.47Å; G595-I598 PolarHBondContact O-N 3.48Å; G595-S599 WeakPolarHBondContact O-CB 3Å; G595-S599 PolarHBondContact O-N 3.48Å; G595-S818 CarbonylContact C-O 3.59Å |
| 596 | C | 89.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -35 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | G592 I598 S599 I600 L642 S818 | G592-C596 VanDerWaalsContact O-CB 3.24Å; G592-C596 WeakPolarHBondContact O-CB 3.24Å; G592-C596 PolarHBondContact O-N 3.04Å; G592-C596 PolarHBondContact O-SG 3.36Å; C596-I598 PolarHBondContact O-N 3.42Å; C596-S599 PolarHBondContact O-N 3.41Å; C596-I600 VanDerWaalsContact O-CB 3.28Å; C596-I600 WeakPolarHBondContact O-CB 3.31Å; C596-I600 WeakPolarHBondContact O-CD1 3.4Å; C596-I600 WeakPolarHBondContact O-CG1 3.43Å; C596-I600 PolarHBondContact O-N 2.99Å; C596-L642 HydrophobicContact CB-CD1 4.07Å; C596-L642 HydrophobicContact CB-CD2 4.07Å; C596-L642 HydrophobicContact CB-CG 4.19Å; C596-S818 PolarHBondContact N-O 2.86Å |
| 597 | S | 91.1 | Very high | 87.5 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | Y593 V594 G595 F601 | Y593-S597 VanDerWaalsContact O-CB 3.29Å; Y593-S597 WeakPolarHBondContact O-CB 3.03Å; Y593-S597 PolarHBondContact O-N 2.98Å; Y593-S597 VanDerWaalsContact O-N 3.1Å; Y593-S597 PolarHBondContact O-OG 2.92Å; V594-S597 PolarHBondContact O-N 3.35Å; G595-S597 PolarHBondContact O-N 3.46Å; S597-F601 PolarHBondContact O-N 3.39Å |
| 598 | I | 92.6 | Very high | 88.3 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 174.6 | -65.4 | 164.9 | 0 | 0 | 0 | 110.4 | V594 G595 C596 F601 C602 F822 | V594-I598 HydrophobicContact CG1-CD1 4.04Å; V594-I598 WeakPolarHBondContact O-CG1 3.43Å; V594-I598 PolarHBondContact O-N 3.28Å; V594-I598 VanDerWaalsContact O-N 3.15Å; G595-I598 WeakPolarHBondContact O-CB 3.47Å; G595-I598 PolarHBondContact O-N 3.48Å; C596-I598 PolarHBondContact O-N 3.42Å; I598-F601 PolarHBondContact O-N 3.49Å; I598-C602 WeakPolarHBondContact O-CB 3.48Å; I598-C602 PolarHBondContact O-N 3.09Å; I598-C602 PolarHBondContact O-SG 3.29Å; I598-F822 HydrophobicContact CG2-CD2 4.31Å |
| 599 | S | 93.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.3 | -50.9 | -179.4 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | G595 C596 F601 C602 L603 E638 S818 G821 F822 | G595-S599 WeakPolarHBondContact O-CB 3Å; G595-S599 PolarHBondContact O-N 3.48Å; C596-S599 PolarHBondContact O-N 3.41Å; S599-F601 VanDerWaalsContact C-N 3.32Å; S599-F601 PolarHBondContact O-N 3.16Å; S599-C602 PolarHBondContact O-N 3.38Å; S599-C602 VanDerWaalsContact O-N 3.13Å; S599-L603 WeakPolarHBondContact O-CB 3.49Å; S599-L603 WeakPolarHBondContact O-CG 3.45Å; S599-L603 PolarHBondContact O-N 2.76Å; S599-E638 WeakPolarHBondContact CB-OE1 3.38Å; S599-E638 WeakPolarHBondContact CB-OE2 3.41Å; S599-E638 PolarHBondContact OG-OE1 3.22Å; S599-E638 PolarHBondContact OG-OE2 3.11Å; S599-E638 VanDerWaalsContact OG-OE2 3.08Å; S599-S818 WeakPolarHBondContact CB-O 3.33Å; S599-G821 WeakPolarHBondContact OG-CA 3.34Å; S599-G821 PolarHBondContact OG-N 3.18Å; S599-F822 PolarHBondContact OG-N 2.94Å |
| 600 | I | 93.4 | Very high | 89.1 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.7 | -46.8 | 173.1 | -73.1 | 166.8 | 0 | 0 | 0 | 111.3 | C596 L603 A604 L635 E638 I639 L642 | C596-I600 VanDerWaalsContact O-CB 3.28Å; C596-I600 WeakPolarHBondContact O-CB 3.31Å; C596-I600 WeakPolarHBondContact O-CD1 3.4Å; C596-I600 WeakPolarHBondContact O-CG1 3.43Å; C596-I600 PolarHBondContact O-N 2.99Å; I600-L603 PolarHBondContact O-N 3.45Å; I600-A604 WeakPolarHBondContact O-CB 3.24Å; I600-A604 PolarHBondContact O-N 3.38Å; I600-L635 HydrophobicContact CB-CD1 4.13Å; I600-L635 HydrophobicContact CG1-CD1 4.16Å; I600-L635 HydrophobicContact CG2-CD1 3.83Å; I600-E638 HydrophobicContact CD1-CB 4.08Å; I600-E638 HydrophobicContact CG1-CB 3.83Å; I600-E638 WeakPolarHBondContact CG1-OE2 3.37Å; I600-E638 PolarHBondContact N-OE2 2.96Å; I600-I639 HydrophobicContact CD1-CG1 3.78Å; I600-I639 HydrophobicContact CG1-CG1 4.1Å; I600-I639 HydrophobicContact CG2-CG1 4.39Å; I600-L642 HydrophobicContact CD1-CD1 3.58Å |
| 601 | F | 93.9 | Very high | 89.2 | Confident | 137 Ų | 137 | 41.9 Ų | 41.9 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.4 | -43.3 | 178.9 | -179.1 | -105.2 | 0 | 0 | 0 | 112.2 | S597 I598 S599 A604 I605 | S597-F601 PolarHBondContact O-N 3.39Å; I598-F601 PolarHBondContact O-N 3.49Å; S599-F601 VanDerWaalsContact C-N 3.32Å; S599-F601 PolarHBondContact O-N 3.16Å; F601-A604 PolarHBondContact O-N 3.23Å; F601-I605 HydrophobicContact CD1-CD1 3.98Å; F601-I605 HydrophobicContact CE1-CD1 3.51Å; F601-I605 HydrophobicContact CE2-CD1 4.3Å; F601-I605 HydrophobicContact CZ-CD1 3.7Å; F601-I605 WeakPolarHBondContact O-CG1 3.43Å; F601-I605 PolarHBondContact O-N 3.29Å; F601-I605 VanDerWaalsContact O-N 3.13Å |
| 602 | C | 93 | Very high | 88.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 176.5 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | I598 S599 I605 T606 F825 | I598-C602 WeakPolarHBondContact O-CB 3.48Å; I598-C602 PolarHBondContact O-N 3.09Å; I598-C602 PolarHBondContact O-SG 3.29Å; S599-C602 PolarHBondContact O-N 3.38Å; S599-C602 VanDerWaalsContact O-N 3.13Å; C602-I605 PolarHBondContact O-N 3.28Å; C602-T606 WeakPolarHBondContact O-CB 3.28Å; C602-T606 PolarHBondContact O-N 3.24Å; C602-T606 PolarHBondContact O-OG1 3.49Å; C602-F825 HydrophobicContact CB-CB 3.68Å; C602-F825 HydrophobicContact CB-CD1 3.86Å; C602-F825 HydrophobicContact CB-CG 3.93Å |
| 603 | L | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 175.4 | -73.5 | 171.1 | 0 | 0 | 0 | 112.2 | S599 I600 T606 L607 I634 L635 V824 | S599-L603 WeakPolarHBondContact O-CB 3.49Å; S599-L603 WeakPolarHBondContact O-CG 3.45Å; S599-L603 PolarHBondContact O-N 2.76Å; I600-L603 PolarHBondContact O-N 3.45Å; L603-T606 WeakPolarHBondContact O-CB 3.44Å; L603-T606 PolarHBondContact O-N 3.35Å; L603-L607 WeakPolarHBondContact O-CG 3.21Å; L603-L607 PolarHBondContact O-N 3.24Å; L603-I634 HydrophobicContact CD1-CB 4.12Å; L603-I634 HydrophobicContact CD1-CG2 3.7Å; L603-L635 HydrophobicContact CB-CB 4.19Å; L603-L635 HydrophobicContact CB-CD1 4.1Å; L603-L635 HydrophobicContact CD1-CB 4.07Å; L603-V824 HydrophobicContact CD2-CB 4.24Å; L603-V824 HydrophobicContact CD2-CG1 4.04Å |
| 604 | A | 92.6 | Very high | 87.8 | Confident | 43 Ų | 43 | 42 Ų | 42 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I600 F601 T606 L607 V608 | I600-A604 WeakPolarHBondContact O-CB 3.24Å; I600-A604 PolarHBondContact O-N 3.38Å; F601-A604 PolarHBondContact O-N 3.23Å; A604-T606 VanDerWaalsContact C-N 3.3Å; A604-T606 PolarHBondContact O-N 3.42Å; A604-L607 PolarHBondContact O-N 3.39Å; A604-V608 WeakPolarHBondContact O-CG2 3.37Å; A604-V608 PolarHBondContact O-N 3.42Å |
| 605 | I | 90.5 | Very high | 86.9 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 174.3 | -66.3 | 171 | 0 | 0 | 0 | 111.3 | F601 C602 T609 F825 | F601-I605 HydrophobicContact CD1-CD1 3.98Å; F601-I605 HydrophobicContact CE1-CD1 3.51Å; F601-I605 HydrophobicContact CE2-CD1 4.3Å; F601-I605 HydrophobicContact CZ-CD1 3.7Å; F601-I605 WeakPolarHBondContact O-CG1 3.43Å; F601-I605 PolarHBondContact O-N 3.29Å; F601-I605 VanDerWaalsContact O-N 3.13Å; C602-I605 PolarHBondContact O-N 3.28Å; I605-T609 VanDerWaalsContact O-CB 3.23Å; I605-T609 WeakPolarHBondContact O-CB 3.42Å; I605-T609 PolarHBondContact O-N 3.48Å; I605-T609 PolarHBondContact O-OG1 3.47Å; I605-F825 HydrophobicContact CB-CE2 4.31Å; I605-F825 HydrophobicContact CG2-CD2 4.31Å; I605-F825 HydrophobicContact CG2-CE2 3.57Å; I605-F825 HydrophobicContact CG2-CZ 4.05Å |
| 606 | T | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.3 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | C602 L603 A604 T609 F610 V824 F825 | C602-T606 WeakPolarHBondContact O-CB 3.28Å; C602-T606 PolarHBondContact O-N 3.24Å; C602-T606 PolarHBondContact O-OG1 3.49Å; L603-T606 WeakPolarHBondContact O-CB 3.44Å; L603-T606 PolarHBondContact O-N 3.35Å; A604-T606 VanDerWaalsContact C-N 3.3Å; A604-T606 PolarHBondContact O-N 3.42Å; T606-T609 WeakPolarHBondContact O-CB 3.44Å; T606-T609 PolarHBondContact O-N 3Å; T606-F610 HydrophobicContact CG2-CD2 3.88Å; T606-F610 HydrophobicContact CG2-CE2 3.3Å; T606-F610 HydrophobicContact CG2-CZ 3.7Å; T606-F610 WeakPolarHBondContact O-CG 3.34Å; T606-F610 PolarHBondContact O-N 3.06Å; T606-V824 HydrophobicContact CG2-CG1 4.3Å; T606-F825 WeakPolarHBondContact OG1-CA 3.43Å; T606-F825 VanDerWaalsContact OG1-CB 3.32Å; T606-F825 WeakPolarHBondContact OG1-CB 3.35Å; T606-F825 WeakPolarHBondContact OG1-CD2 3.28Å |
| 607 | L | 89.3 | Confident | 84.2 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 178.3 | -70.2 | 176.9 | 0 | 0 | 0 | 112.2 | L603 A604 T609 F610 A611 A628 F632 L635 | L603-L607 WeakPolarHBondContact O-CG 3.21Å; L603-L607 PolarHBondContact O-N 3.24Å; A604-L607 PolarHBondContact O-N 3.39Å; L607-T609 VanDerWaalsContact C-N 3.3Å; L607-T609 PolarHBondContact O-N 3.37Å; L607-F610 PolarHBondContact O-N 3.42Å; L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 2.87Å; L607-A628 HydrophobicContact CD2-CB 4.33Å; L607-A628 WeakPolarHBondContact CD2-O 3.1Å; L607-F632 HydrophobicContact CD1-CB 4.34Å; L607-F632 HydrophobicContact CD1-CD2 4.36Å; L607-F632 HydrophobicContact CD2-CB 4.34Å; L607-L635 HydrophobicContact CD1-CD2 3.52Å |
| 608 | V | 88.8 | Confident | 82.1 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 173.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | A604 A611 V612 | A604-V608 WeakPolarHBondContact O-CG2 3.37Å; A604-V608 PolarHBondContact O-N 3.42Å; V608-A611 PolarHBondContact O-N 3.43Å; V608-V612 HydrophobicContact CG1-CG2 4.47Å; V608-V612 WeakPolarHBondContact O-CB 3.17Å; V608-V612 WeakPolarHBondContact O-CG2 3.48Å; V608-V612 PolarHBondContact O-N 3.11Å |
| 609 | T | 84.6 | Confident | 80 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | I605 T606 L607 A611 V612 L613 C829 V835 F839 | I605-T609 VanDerWaalsContact O-CB 3.23Å; I605-T609 WeakPolarHBondContact O-CB 3.42Å; I605-T609 PolarHBondContact O-N 3.48Å; I605-T609 PolarHBondContact O-OG1 3.47Å; T606-T609 WeakPolarHBondContact O-CB 3.44Å; T606-T609 PolarHBondContact O-N 3Å; L607-T609 VanDerWaalsContact C-N 3.3Å; L607-T609 PolarHBondContact O-N 3.37Å; T609-A611 PolarHBondContact O-N 2.72Å; T609-V612 PolarHBondContact O-N 2.95Å; T609-L613 HydrophobicContact CG2-CD1 3.76Å; T609-L613 HydrophobicContact CG2-CG 4.46Å; T609-L613 WeakPolarHBondContact O-CB 3.44Å; T609-L613 VanDerWaalsContact O-CG 3.25Å; T609-L613 WeakPolarHBondContact O-CG 3.46Å; T609-L613 PolarHBondContact O-N 2.89Å; T609-C829 HydrophobicContact CG2-CB 4.46Å; T609-V835 HydrophobicContact CG2-CG1 4.19Å; T609-F839 HydrophobicContact CG2-CE2 3.63Å; T609-F839 HydrophobicContact CG2-CZ 3.92Å |
| 610 | F | 83.8 | Confident | 78.1 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 177.9 | -63 | -29.5 | 0 | 0 | 0 | 112.6 | T606 L607 L613 S614 Y624 H627 A628 H828 | T606-F610 HydrophobicContact CG2-CD2 3.88Å; T606-F610 HydrophobicContact CG2-CE2 3.3Å; T606-F610 HydrophobicContact CG2-CZ 3.7Å; T606-F610 WeakPolarHBondContact O-CG 3.34Å; T606-F610 PolarHBondContact O-N 3.06Å; L607-F610 PolarHBondContact O-N 3.42Å; F610-L613 PolarHBondContact O-N 3.02Å; F610-S614 WeakPolarHBondContact O-CB 3.49Å; F610-S614 PolarHBondContact O-N 2.92Å; F610-Y624 HydrophobicContact CD1-CD1 4.09Å; F610-Y624 HydrophobicContact CE1-CD1 4.26Å; F610-H627 HydrophobicContact CE2-CB 3.81Å; F610-H627 HydrophobicContact CZ-CB 4.06Å; F610-A628 HydrophobicContact CD2-CB 4.04Å; F610-H828 HydrophobicContact CZ-CB 3.9Å |
| 611 | A | 82.9 | Confident | 76.7 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 50% | 0.504 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L607 V608 T609 S614 S615 | L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 2.87Å; V608-A611 PolarHBondContact O-N 3.43Å; T609-A611 PolarHBondContact O-N 2.72Å; A611-S614 PolarHBondContact O-N 3.14Å; A611-S615 VanDerWaalsContact O-CB 3.28Å; A611-S615 WeakPolarHBondContact O-CB 3.3Å; A611-S615 PolarHBondContact O-N 3.12Å |
| 612 | V | 79.7 | Confident | 75.6 | Confident | 71 Ų | 71 | 60 Ų | 60 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | V608 T609 S615 V616 | V608-V612 HydrophobicContact CG1-CG2 4.47Å; V608-V612 WeakPolarHBondContact O-CB 3.17Å; V608-V612 WeakPolarHBondContact O-CG2 3.48Å; V608-V612 PolarHBondContact O-N 3.11Å; T609-V612 PolarHBondContact O-N 2.95Å; V612-S615 PolarHBondContact O-N 3.08Å; V612-V616 WeakPolarHBondContact O-CB 3.22Å; V612-V616 WeakPolarHBondContact O-CG2 3.4Å; V612-V616 PolarHBondContact O-N 3.39Å |
| 613 | L | 74.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 177.8 | -68.5 | 170.2 | 0 | 0 | 0 | 112.2 | T609 F610 S615 V616 S617 V835 A838 | T609-L613 HydrophobicContact CG2-CD1 3.76Å; T609-L613 HydrophobicContact CG2-CG 4.46Å; T609-L613 WeakPolarHBondContact O-CB 3.44Å; T609-L613 VanDerWaalsContact O-CG 3.25Å; T609-L613 WeakPolarHBondContact O-CG 3.46Å; T609-L613 PolarHBondContact O-N 2.89Å; F610-L613 PolarHBondContact O-N 3.02Å; L613-S615 VanDerWaalsContact C-N 3.31Å; L613-S615 PolarHBondContact O-N 2.71Å; L613-V616 PolarHBondContact O-N 3.05Å; L613-V616 VanDerWaalsContact O-N 3.13Å; L613-S617 WeakPolarHBondContact O-CB 3.37Å; L613-S617 PolarHBondContact O-N 3.48Å; L613-V835 HydrophobicContact CD1-CB 4.35Å; L613-V835 HydrophobicContact CD1-CG1 4.02Å; L613-V835 HydrophobicContact CD1-CG2 3.84Å; L613-A838 HydrophobicContact CD2-CB 3.58Å |
| 614 | S | 72.2 | Confident | 74.1 | Confident | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -29.4 | 176 | -174.3 | 0 | 0 | 0 | 0 | 113 | F610 A611 V616 | F610-S614 WeakPolarHBondContact O-CB 3.49Å; F610-S614 PolarHBondContact O-N 2.92Å; A611-S614 PolarHBondContact O-N 3.14Å; S614-V616 VanDerWaalsContact C-N 3.3Å |
| 615 | S | 70.3 | Confident | 73.6 | Confident | 107 Ų | 107 | 62.5 Ų | 62.5 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.7 | -23.8 | 172.8 | 180 | 0 | 0 | 0 | 0 | 112.6 | A611 V612 L613 | A611-S615 VanDerWaalsContact O-CB 3.28Å; A611-S615 WeakPolarHBondContact O-CB 3.3Å; A611-S615 PolarHBondContact O-N 3.12Å; V612-S615 PolarHBondContact O-N 3.08Å; L613-S615 VanDerWaalsContact C-N 3.31Å; L613-S615 PolarHBondContact O-N 2.71Å |
| 616 | V | 64 | Low | 73.4 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -103.4 | -34.4 | -171.6 | 163.9 | 0 | 0 | 0 | 0 | 113.4 | V612 L613 S614 K842 | V612-V616 WeakPolarHBondContact O-CB 3.22Å; V612-V616 WeakPolarHBondContact O-CG2 3.4Å; V612-V616 PolarHBondContact O-N 3.39Å; L613-V616 PolarHBondContact O-N 3.05Å; L613-V616 VanDerWaalsContact O-N 3.13Å; S614-V616 VanDerWaalsContact C-N 3.3Å; V616-K842 VanDerWaalsContact CG2-CE 3.44Å |
| 617 | S | 57.3 | Low | 73.3 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | trans | -93.6 | 107.7 | -176.9 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | L613 I619 | L613-S617 WeakPolarHBondContact O-CB 3.37Å; L613-S617 PolarHBondContact O-N 3.48Å; S617-I619 CarbonylContact O-C 3.57Å; S617-I619 PolarHBondContact O-N 3.29Å; S617-I619 PolarHBondContact OG-O 2.96Å | ||
| 618 | T | 46.3 | Very low | 73.2 | Confident | 149 Ų | 149 | 59.5 Ų | 59.5 | 91% | 0.914 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -58 | -17.5 | 172.2 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | R620 | T618-R620 PolarHBondContact O-N 3.32Š|
| 619 | I | 50 | Low | 73.3 | Confident | 132 Ų | 132 | 55.9 Ų | 55.9 | 68% | 0.677 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -83.8 | 89.9 | 170 | -55.3 | 173.4 | 0 | 0 | 0 | 108.5 | S617 N621 | S617-I619 CarbonylContact O-C 3.57Å; S617-I619 PolarHBondContact O-N 3.29Å; S617-I619 PolarHBondContact OG-O 2.96Å; I619-N621 PolarHBondContact O-N 2.77Å |
| 620 | R | 52.8 | Low | 73.6 | Confident | 182 Ų | 182 | 55.4 Ų | 55.4 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | trans | -72.8 | 73.7 | 173.7 | -171.5 | -170.1 | 68.3 | -167.9 | -0.7 | 110.9 | T618 H625 | T618-R620 PolarHBondContact O-N 3.32Å; R620-H625 WeakPolarHBondContact CG-NE2 3.34Å | ||
| 621 | N | 64.4 | Low | 74 | Confident | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | trans | -65.6 | 128.5 | -179.2 | -172.3 | -8.6 | 0 | 0 | 0 | 111.3 | I619 R623 Y624 | I619-N621 PolarHBondContact O-N 2.77Å; N621-R623 PolarHBondContact O-N 2.82Å; N621-R623 VanDerWaalsContact O-N 3.1Å; N621-R623 PolarHBondContact OD1-N 2.97Å; N621-Y624 HydrophobicContact CB-CD2 3.92Å; N621-Y624 HydrophobicContact CB-CE2 4.13Å; N621-Y624 PolarHBondContact O-N 2.92Å | ||
| 622 | E | 69.3 | Low | 74.5 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.5 | -33.5 | -178.2 | -53.7 | -158.4 | 134.2 | 0 | 0 | 111.7 | Y624 H625 I626 H694 | E622-Y624 PolarHBondContact O-N 2.86Å; E622-H625 PolarHBondContact O-N 2.86Å; E622-H625 VanDerWaalsContact O-N 3.15Å; E622-I626 PolarHBondContact O-N 3.36Å; E622-H694 WeakPolarHBondContact CG-NE2 3.46Å; E622-H694 IonicContact OE1-CD2 3.09Å; E622-H694 PolarHBondContact OE1-CD2 2.85Å; E622-H694 IonicContact OE1-CG 3.36Å; E622-H694 IonicContact OE1-NE2 2.77Å |
| 623 | R | 76 | Confident | 75.1 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.8 | -44.2 | 179.5 | -169.6 | 176.3 | -172.1 | -169.8 | -0.1 | 113.8 | N621 H625 I626 H627 S894 V896 | N621-R623 PolarHBondContact O-N 2.82Å; N621-R623 VanDerWaalsContact O-N 3.1Å; N621-R623 PolarHBondContact OD1-N 2.97Å; R623-H625 VanDerWaalsContact C-N 3.32Å; R623-H625 PolarHBondContact O-N 2.75Å; R623-I626 PolarHBondContact O-N 3.35Å; R623-H627 PolarHBondContact O-N 3.23Å; R623-H627 VanDerWaalsContact O-N 3.14Å; R623-S894 PolarHBondContact NH1-O 3.31Å; R623-V896 PolarHBondContact NH2-O 3.46Å; R623-V896 PolarHBondContact NH2-OXT 3.32Å |
| 624 | Y | 78.1 | Confident | 76 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -32.3 | -179 | -67 | -58.8 | 0 | 0 | 0 | 112.4 | F610 N621 E622 A628 E834 V835 | F610-Y624 HydrophobicContact CD1-CD1 4.09Å; F610-Y624 HydrophobicContact CE1-CD1 4.26Å; N621-Y624 HydrophobicContact CB-CD2 3.92Å; N621-Y624 HydrophobicContact CB-CE2 4.13Å; N621-Y624 PolarHBondContact O-N 2.92Å; E622-Y624 PolarHBondContact O-N 2.86Å; Y624-A628 WeakPolarHBondContact O-CB 3.45Å; Y624-A628 PolarHBondContact O-N 2.69Å; Y624-E834 PolarHBondContact OH-OE2 3.13Å; Y624-E834 VanDerWaalsContact OH-OE2 3.11Å; Y624-V835 HydrophobicContact CE1-CG2 4.41Å |
| 625 | H | 82.8 | Confident | 77 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 25% | 0.25 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 175.1 | -73.6 | -79.6 | 0 | 0 | 0 | 111.5 | R620 E622 R623 A628 N629 | R620-H625 WeakPolarHBondContact CG-NE2 3.34Å; E622-H625 PolarHBondContact O-N 2.86Å; E622-H625 VanDerWaalsContact O-N 3.15Å; R623-H625 VanDerWaalsContact C-N 3.32Å; R623-H625 PolarHBondContact O-N 2.75Å; H625-A628 PolarHBondContact O-N 3.24Å; H625-N629 PolarHBondContact O-N 3.21Å; H625-N629 PolarHBondContact O-ND2 2.87Å |
| 626 | I | 86.5 | Confident | 78.1 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -52.5 | 177.7 | -64.4 | 169.2 | 0 | 0 | 0 | 110 | E622 R623 A628 N629 L630 W671 V674 E675 H678 Y697 | E622-I626 PolarHBondContact O-N 3.36Å; R623-I626 PolarHBondContact O-N 3.35Å; I626-A628 VanDerWaalsContact C-N 3.32Å; I626-A628 PolarHBondContact O-N 3.09Å; I626-N629 PolarHBondContact O-N 2.6Å; I626-L630 PolarHBondContact O-N 3.34Å; I626-W671 HydrophobicContact CB-CZ3 4.44Å; I626-W671 HydrophobicContact CG1-CZ3 4.23Å; I626-W671 HydrophobicContact CG2-CE3 4.24Å; I626-W671 HydrophobicContact CG2-CZ3 4.41Å; I626-V674 HydrophobicContact CD1-CG1 4.17Å; I626-V674 HydrophobicContact CG1-CG1 4.13Å; I626-V674 HydrophobicContact CG2-CG1 4.01Å; I626-E675 HydrophobicContact CG2-CB 4.11Å; I626-H678 HydrophobicContact CD1-CB 3.81Å; I626-H678 VanDerWaalsContact CD1-CD2 3.4Å; I626-H678 WeakPolarHBondContact CD1-CD2 3.49Å; I626-Y697 HydrophobicContact CD1-CD2 4.27Å; I626-Y697 HydrophobicContact CD1-CE2 4.29Å |
| 627 | H | 85 | Confident | 79.5 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 179.6 | -63.5 | -19.5 | 0 | 0 | 0 | 112.9 | F610 R623 S631 E675 H828 | F610-H627 HydrophobicContact CE2-CB 3.81Å; F610-H627 HydrophobicContact CZ-CB 4.06Å; R623-H627 PolarHBondContact O-N 3.23Å; R623-H627 VanDerWaalsContact O-N 3.14Å; H627-S631 VanDerWaalsContact O-CB 3.29Å; H627-S631 WeakPolarHBondContact O-CB 3.39Å; H627-S631 PolarHBondContact O-N 3.38Å; H627-S631 PolarHBondContact O-OG 3.31Å; H627-E675 IonicContact CE1-OE1 3.96Å; H627-E675 PolarHBondContact CE1-OE1 2.98Å; H627-E675 IonicContact ND1-OE1 3.25Å; H627-E675 PolarHBondContact ND1-OE1 3.11Å; H627-H828 AromaticContact CD2-CE1 3.95Å; H627-H828 AromaticContact CD2-CG 3.91Å; H627-H828 AromaticContact CD2-ND1 3.85Å; H627-H828 AromaticContact CE1-CE1 3.41Å; H627-H828 PolarHBondContact CE1-CE1 3.11Å; H627-H828 VanDerWaalsContact CE1-CE1 3.41Å; H627-H828 AromaticContact CE1-NE2 3.41Å; H627-H828 PolarHBondContact CE1-NE2 3.35Å; H627-H828 AromaticContact ND1-NE2 3.74Å; H627-H828 AromaticContact NE2-CE1 3.26Å; H627-H828 PolarHBondContact NE2-CE1 2.91Å; H627-H828 VanDerWaalsContact NE2-CE1 3.26Å; H627-H828 AromaticContact NE2-CG 3.97Å; H627-H828 AromaticContact NE2-ND1 3.48Å; H627-H828 PolarHBondContact NE2-ND1 3.13Å; H627-H828 AromaticContact NE2-NE2 3.61Å |
| 628 | A | 87.9 | Confident | 81 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.7 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L607 F610 Y624 H625 I626 S631 F632 | L607-A628 HydrophobicContact CD2-CB 4.33Å; L607-A628 WeakPolarHBondContact CD2-O 3.1Å; F610-A628 HydrophobicContact CD2-CB 4.04Å; Y624-A628 WeakPolarHBondContact O-CB 3.45Å; Y624-A628 PolarHBondContact O-N 2.69Å; H625-A628 PolarHBondContact O-N 3.24Å; I626-A628 VanDerWaalsContact C-N 3.32Å; I626-A628 PolarHBondContact O-N 3.09Å; A628-S631 PolarHBondContact O-N 3.47Å; A628-F632 WeakPolarHBondContact O-CB 3.35Å; A628-F632 PolarHBondContact O-N 3.09Å |
| 629 | N | 91.2 | Very high | 83.2 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.7 | -78.3 | -93.1 | 0 | 0 | 0 | 111.4 | H625 I626 F632 A633 W671 Y698 W702 | H625-N629 PolarHBondContact O-N 3.21Å; H625-N629 PolarHBondContact O-ND2 2.87Å; I626-N629 PolarHBondContact O-N 2.6Å; N629-F632 PolarHBondContact O-N 3.45Å; N629-A633 WeakPolarHBondContact O-CB 3.39Å; N629-A633 PolarHBondContact O-N 2.87Å; N629-W671 HydrophobicContact CB-CD2 3.65Å; N629-W671 VanDerWaalsContact CB-CE2 3.41Å; N629-W671 HydrophobicContact CB-CE3 3.94Å; N629-W671 HydrophobicContact CB-CG 4.29Å; N629-W671 HydrophobicContact CB-CH2 3.85Å; N629-W671 HydrophobicContact CB-CZ2 3.53Å; N629-W671 HydrophobicContact CB-CZ3 4.03Å; N629-Y698 PolarHBondContact ND2-OH 2.98Å; N629-W702 PolarHBondContact OD1-NE1 3.28Å |
| 630 | L | 90.7 | Very high | 85.1 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 174.5 | 179.2 | 57.3 | 0 | 0 | 0 | 111.5 | I626 F632 A633 I634 A668 W671 M672 E675 | I626-L630 PolarHBondContact O-N 3.34Å; L630-F632 VanDerWaalsContact C-N 3.26Å; L630-F632 PolarHBondContact O-N 3.47Å; L630-A633 PolarHBondContact O-N 3.33Å; L630-I634 HydrophobicContact CD1-CD1 3.8Å; L630-I634 HydrophobicContact CD1-CG1 4.08Å; L630-I634 HydrophobicContact CG-CD1 3.95Å; L630-I634 WeakPolarHBondContact O-CG1 3.38Å; L630-I634 PolarHBondContact O-N 3.16Å; L630-A668 WeakPolarHBondContact CD1-O 3.42Å; L630-W671 HydrophobicContact CB-CB 3.97Å; L630-W671 HydrophobicContact CD1-CB 3.81Å; L630-W671 HydrophobicContact CG-CB 4.45Å; L630-M672 HydrophobicContact CD1-CE 4.38Å; L630-M672 HydrophobicContact CD1-CG 3.74Å; L630-M672 HydrophobicContact CD2-CG 4.19Å; L630-E675 WeakPolarHBondContact CD2-OE2 3.24Å |
| 631 | S | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -39.6 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | H627 A628 L635 V824 | H627-S631 VanDerWaalsContact O-CB 3.29Å; H627-S631 WeakPolarHBondContact O-CB 3.39Å; H627-S631 PolarHBondContact O-N 3.38Å; H627-S631 PolarHBondContact O-OG 3.31Å; A628-S631 PolarHBondContact O-N 3.47Å; S631-L635 WeakPolarHBondContact O-CB 3.31Å; S631-L635 PolarHBondContact O-N 3.31Å; S631-V824 WeakPolarHBondContact OG-CG1 3.46Å |
| 632 | F | 93.4 | Very high | 87.8 | Confident | 93 Ų | 93 | 25.7 Ų | 25.7 | 41% | 0.408 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 176.1 | 178.8 | -102.2 | 0 | 0 | 0 | 112.7 | L607 A628 N629 L630 L635 V636 F664 W702 | L607-F632 HydrophobicContact CD1-CB 4.34Å; L607-F632 HydrophobicContact CD1-CD2 4.36Å; L607-F632 HydrophobicContact CD2-CB 4.34Å; A628-F632 WeakPolarHBondContact O-CB 3.35Å; A628-F632 PolarHBondContact O-N 3.09Å; N629-F632 PolarHBondContact O-N 3.45Å; L630-F632 VanDerWaalsContact C-N 3.26Å; L630-F632 PolarHBondContact O-N 3.47Å; F632-L635 PolarHBondContact O-N 3.13Å; F632-V636 HydrophobicContact CD2-CG2 4.31Å; F632-V636 HydrophobicContact CE1-CG2 4.29Å; F632-V636 HydrophobicContact CE2-CG2 3.93Å; F632-V636 HydrophobicContact CZ-CG2 3.91Å; F632-V636 WeakPolarHBondContact O-CG2 3.15Å; F632-V636 PolarHBondContact O-N 3.34Å; F632-F664 HydrophobicContact CE1-CE1 4.48Å; F632-W702 AromaticContact CD1-CH2 3.88Å; F632-W702 HydrophobicContact CD1-CH2 3.88Å; F632-W702 AromaticContact CD1-CZ2 3.96Å; F632-W702 HydrophobicContact CD1-CZ2 3.96Å; F632-W702 HydrophobicContact CE1-CH2 4.19Å; F632-W702 HydrophobicContact CE1-CZ2 4.45Å |
| 633 | A | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N629 L630 A637 A668 W702 | N629-A633 WeakPolarHBondContact O-CB 3.39Å; N629-A633 PolarHBondContact O-N 2.87Å; L630-A633 PolarHBondContact O-N 3.33Å; A633-A637 WeakPolarHBondContact O-CB 3.47Å; A633-A637 PolarHBondContact O-N 2.87Å; A633-A668 HydrophobicContact CB-CB 4.26Å; A633-W702 HydrophobicContact CB-CH2 3.94Å; A633-W702 HydrophobicContact CB-CZ3 4.5Å |
| 634 | I | 91.7 | Very high | 89 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.5 | -61.5 | 170.6 | 0 | 0 | 0 | 110.5 | L603 L630 V636 A637 E638 A668 M672 Q820 V824 | L603-I634 HydrophobicContact CD1-CB 4.12Å; L603-I634 HydrophobicContact CD1-CG2 3.7Å; L630-I634 HydrophobicContact CD1-CD1 3.8Å; L630-I634 HydrophobicContact CD1-CG1 4.08Å; L630-I634 HydrophobicContact CG-CD1 3.95Å; L630-I634 WeakPolarHBondContact O-CG1 3.38Å; L630-I634 PolarHBondContact O-N 3.16Å; I634-V636 VanDerWaalsContact C-N 3.33Å; I634-V636 PolarHBondContact O-N 3.3Å; I634-A637 PolarHBondContact O-N 3.46Å; I634-A637 VanDerWaalsContact O-N 3.13Å; I634-E638 HydrophobicContact CG2-CG 4.17Å; I634-E638 WeakPolarHBondContact O-CG 3.36Å; I634-E638 PolarHBondContact O-N 2.95Å; I634-A668 HydrophobicContact CG1-CB 4.01Å; I634-M672 HydrophobicContact CD1-CE 4.49Å; I634-Q820 HydrophobicContact CD1-CG 4.39Å; I634-V824 HydrophobicContact CD1-CG2 4.43Å |
| 635 | L | 94.1 | Very high | 88.8 | Confident | 21 Ų | 21 | 28.9 Ų | 28.9 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.1 | -46 | 179.9 | 175.4 | 62.9 | 0 | 0 | 0 | 112.1 | I600 L603 L607 S631 F632 I639 | I600-L635 HydrophobicContact CB-CD1 4.13Å; I600-L635 HydrophobicContact CG1-CD1 4.16Å; I600-L635 HydrophobicContact CG2-CD1 3.83Å; L603-L635 HydrophobicContact CB-CB 4.19Å; L603-L635 HydrophobicContact CB-CD1 4.1Å; L603-L635 HydrophobicContact CD1-CB 4.07Å; L607-L635 HydrophobicContact CD1-CD2 3.52Å; S631-L635 WeakPolarHBondContact O-CB 3.31Å; S631-L635 PolarHBondContact O-N 3.31Å; F632-L635 PolarHBondContact O-N 3.13Å; L635-I639 HydrophobicContact CD1-CD1 3.8Å; L635-I639 HydrophobicContact CD1-CG1 4.4Å; L635-I639 HydrophobicContact CG-CD1 3.98Å; L635-I639 WeakPolarHBondContact O-CB 3.35Å; L635-I639 WeakPolarHBondContact O-CD1 3.3Å; L635-I639 VanDerWaalsContact O-CG1 3.25Å; L635-I639 WeakPolarHBondContact O-CG1 3.45Å; L635-I639 PolarHBondContact O-N 2.92Å; L635-I639 VanDerWaalsContact O-N 3.08Å |
| 636 | V | 94.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.2 | -36.8 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F632 I634 I639 L640 F664 | F632-V636 HydrophobicContact CD2-CG2 4.31Å; F632-V636 HydrophobicContact CE1-CG2 4.29Å; F632-V636 HydrophobicContact CE2-CG2 3.93Å; F632-V636 HydrophobicContact CZ-CG2 3.91Å; F632-V636 WeakPolarHBondContact O-CG2 3.15Å; F632-V636 PolarHBondContact O-N 3.34Å; I634-V636 VanDerWaalsContact C-N 3.33Å; I634-V636 PolarHBondContact O-N 3.3Å; V636-I639 PolarHBondContact O-N 3.1Å; V636-L640 HydrophobicContact CG1-CD1 3.8Å; V636-L640 HydrophobicContact CG1-CG 4.15Å; V636-L640 VanDerWaalsContact O-CB 3.32Å; V636-L640 WeakPolarHBondContact O-CB 3.21Å; V636-L640 WeakPolarHBondContact O-CG 3.42Å; V636-L640 PolarHBondContact O-N 3.38Å; V636-F664 HydrophobicContact CB-CD1 3.84Å; V636-F664 HydrophobicContact CB-CE1 3.92Å; V636-F664 HydrophobicContact CB-CG 4.17Å; V636-F664 HydrophobicContact CB-CZ 4.32Å; V636-F664 HydrophobicContact CG1-CD1 3.82Å; V636-F664 HydrophobicContact CG1-CD2 3.68Å; V636-F664 HydrophobicContact CG1-CE1 3.73Å; V636-F664 HydrophobicContact CG1-CE2 3.59Å; V636-F664 HydrophobicContact CG1-CG 3.8Å; V636-F664 HydrophobicContact CG1-CZ 3.62Å; V636-F664 HydrophobicContact CG2-CE1 4.37Å |
| 637 | A | 91.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A633 I634 L640 L641 L661 F664 F665 | A633-A637 WeakPolarHBondContact O-CB 3.47Å; A633-A637 PolarHBondContact O-N 2.87Å; I634-A637 PolarHBondContact O-N 3.46Å; I634-A637 VanDerWaalsContact O-N 3.13Å; A637-L640 PolarHBondContact O-N 3.25Å; A637-L641 WeakPolarHBondContact O-CB 3.15Å; A637-L641 PolarHBondContact O-N 3.45Å; A637-L661 VanDerWaalsContact O-CD1 3.25Å; A637-L661 WeakPolarHBondContact O-CD1 3.4Å; A637-F664 HydrophobicContact CB-CB 4.01Å; A637-F665 HydrophobicContact CB-CD1 3.94Å; A637-F665 HydrophobicContact CB-CE1 3.88Å; A637-F665 HydrophobicContact CB-CG 4.29Å; A637-F665 HydrophobicContact CB-CZ 4.2Å |
| 638 | E | 90.4 | Very high | 88.1 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 177.5 | -71.6 | 177.9 | 177 | 0 | 0 | 111.9 | S599 I600 I634 L641 L642 | S599-E638 WeakPolarHBondContact CB-OE1 3.38Å; S599-E638 WeakPolarHBondContact CB-OE2 3.41Å; S599-E638 PolarHBondContact OG-OE1 3.22Å; S599-E638 PolarHBondContact OG-OE2 3.11Å; S599-E638 VanDerWaalsContact OG-OE2 3.08Å; I600-E638 HydrophobicContact CD1-CB 4.08Å; I600-E638 HydrophobicContact CG1-CB 3.83Å; I600-E638 WeakPolarHBondContact CG1-OE2 3.37Å; I600-E638 PolarHBondContact N-OE2 2.96Å; I634-E638 HydrophobicContact CG2-CG 4.17Å; I634-E638 WeakPolarHBondContact O-CG 3.36Å; I634-E638 PolarHBondContact O-N 2.95Å; E638-L641 PolarHBondContact O-N 2.93Å; E638-L642 WeakPolarHBondContact O-CG 3.34Å; E638-L642 PolarHBondContact O-N 3.19Å |
| 639 | I | 91.4 | Very high | 87.7 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 175.7 | -71.3 | 168 | 0 | 0 | 0 | 110.8 | I600 L635 V636 L641 L642 I643 | I600-I639 HydrophobicContact CD1-CG1 3.78Å; I600-I639 HydrophobicContact CG1-CG1 4.1Å; I600-I639 HydrophobicContact CG2-CG1 4.39Å; L635-I639 HydrophobicContact CD1-CD1 3.8Å; L635-I639 HydrophobicContact CD1-CG1 4.4Å; L635-I639 HydrophobicContact CG-CD1 3.98Å; L635-I639 WeakPolarHBondContact O-CB 3.35Å; L635-I639 WeakPolarHBondContact O-CD1 3.3Å; L635-I639 VanDerWaalsContact O-CG1 3.25Å; L635-I639 WeakPolarHBondContact O-CG1 3.45Å; L635-I639 PolarHBondContact O-N 2.92Å; L635-I639 VanDerWaalsContact O-N 3.08Å; V636-I639 PolarHBondContact O-N 3.1Å; I639-L641 VanDerWaalsContact C-N 3.31Å; I639-L641 PolarHBondContact O-N 3.47Å; I639-L642 PolarHBondContact O-N 2.86Å; I639-I643 HydrophobicContact CG2-CD1 3.68Å; I639-I643 VanDerWaalsContact O-CG1 3.3Å; I639-I643 WeakPolarHBondContact O-CG1 3.38Å; I639-I643 PolarHBondContact O-N 3.03Å |
| 640 | L | 90.9 | Very high | 86.9 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 177.4 | -72.6 | 171.2 | 0 | 0 | 0 | 111.9 | V636 A637 I643 S644 M657 L660 L661 F664 | V636-L640 HydrophobicContact CG1-CD1 3.8Å; V636-L640 HydrophobicContact CG1-CG 4.15Å; V636-L640 VanDerWaalsContact O-CB 3.32Å; V636-L640 WeakPolarHBondContact O-CB 3.21Å; V636-L640 WeakPolarHBondContact O-CG 3.42Å; V636-L640 PolarHBondContact O-N 3.38Å; A637-L640 PolarHBondContact O-N 3.25Å; L640-I643 PolarHBondContact O-N 3.22Å; L640-S644 WeakPolarHBondContact O-CB 3.24Å; L640-S644 PolarHBondContact O-N 3.44Å; L640-M657 HydrophobicContact CB-CE 4.07Å; L640-M657 HydrophobicContact CD2-CE 3.57Å; L640-M657 HydrophobicContact CD2-SD 3.78Å; L640-M657 HydrophobicContact CG-CE 4.44Å; L640-M657 WeakPolarHBondContact O-CE 3.23Å; L640-L660 HydrophobicContact CD1-CB 3.84Å; L640-L660 HydrophobicContact CD2-CB 4.41Å; L640-L660 HydrophobicContact CD2-CD1 4.35Å; L640-L661 HydrophobicContact CB-CD1 3.76Å; L640-F664 HydrophobicContact CD1-CB 4.47Å; L640-F664 HydrophobicContact CD1-CD2 3.45Å; L640-F664 VanDerWaalsContact CD1-CD2 3.45Å; L640-F664 HydrophobicContact CD1-CE2 4.06Å; L640-F664 HydrophobicContact CD1-CG 4.23Å |
| 641 | L | 86.8 | Confident | 86.6 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 29% | 0.293 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 175.7 | -174.4 | 149.1 | 0 | 0 | 0 | 111.2 | A637 E638 I639 I643 S644 L661 F665 | A637-L641 WeakPolarHBondContact O-CB 3.15Å; A637-L641 PolarHBondContact O-N 3.45Å; E638-L641 PolarHBondContact O-N 2.93Å; I639-L641 VanDerWaalsContact C-N 3.31Å; I639-L641 PolarHBondContact O-N 3.47Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 PolarHBondContact O-N 2.91Å; L641-S644 PolarHBondContact O-N 3.23Å; L641-S644 PolarHBondContact O-OG 3.3Å; L641-L661 HydrophobicContact CB-CD1 4.12Å; L641-L661 HydrophobicContact CB-CD2 4.49Å; L641-F665 HydrophobicContact CD1-CE2 4.2Å; L641-F665 HydrophobicContact CD1-CZ 3.86Å |
| 642 | L | 86.7 | Confident | 86.2 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 177.9 | -66.8 | -176.6 | 0 | 0 | 0 | 112.7 | Y593 C596 I600 E638 I639 | Y593-L642 HydrophobicContact CD1-CD2 3.7Å; Y593-L642 HydrophobicContact CE1-CD2 3.94Å; Y593-L642 HydrophobicContact CG-CD2 4.3Å; C596-L642 HydrophobicContact CB-CD1 4.07Å; C596-L642 HydrophobicContact CB-CD2 4.07Å; C596-L642 HydrophobicContact CB-CG 4.19Å; I600-L642 HydrophobicContact CD1-CD1 3.58Å; E638-L642 WeakPolarHBondContact O-CG 3.34Å; E638-L642 PolarHBondContact O-N 3.19Å; I639-L642 PolarHBondContact O-N 2.86Å |
| 643 | I | 87.7 | Confident | 85.9 | Confident | 74 Ų | 74 | 55.2 Ų | 55.2 | 38% | 0.379 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.5 | -33.7 | 175.7 | -67 | 170.3 | 0 | 0 | 0 | 111.5 | I639 L640 L641 A645 R646 F647 M657 | I639-I643 HydrophobicContact CG2-CD1 3.68Å; I639-I643 VanDerWaalsContact O-CG1 3.3Å; I639-I643 WeakPolarHBondContact O-CG1 3.38Å; I639-I643 PolarHBondContact O-N 3.03Å; L640-I643 PolarHBondContact O-N 3.22Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 PolarHBondContact O-N 2.91Å; I643-A645 PolarHBondContact O-N 3.06Å; I643-A645 VanDerWaalsContact O-N 3.16Å; I643-R646 WeakPolarHBondContact O-CB 3.27Å; I643-R646 PolarHBondContact O-N 3.3Å; I643-F647 HydrophobicContact CG2-CD2 4.38Å; I643-F647 HydrophobicContact CG2-CE2 3.71Å; I643-M657 HydrophobicContact CB-CE 3.84Å; I643-M657 HydrophobicContact CG2-CE 3.65Å; I643-M657 HydrophobicContact CG2-SD 4.29Å |
| 644 | S | 82.6 | Confident | 85.6 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -31.9 | -176.9 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | L640 L641 R646 F647 | L640-S644 WeakPolarHBondContact O-CB 3.24Å; L640-S644 PolarHBondContact O-N 3.44Å; L641-S644 PolarHBondContact O-N 3.23Å; L641-S644 PolarHBondContact O-OG 3.3Å; S644-R646 PolarHBondContact O-N 3.4Å; S644-R646 VanDerWaalsContact O-N 3.09Å; S644-F647 PolarHBondContact O-N 3.27Å |
| 645 | A | 74.5 | Confident | 85.3 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 5.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I643 | I643-A645 PolarHBondContact O-N 3.06Å; I643-A645 VanDerWaalsContact O-N 3.16Å |
| 646 | R | 80.5 | Confident | 85.1 | Confident | 192 Ų | 192 | 59.9 Ų | 59.9 | 73% | 0.725 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -1.2 | 177.1 | -56.8 | -60.6 | -178.5 | 165.3 | -1.3 | 114 | I643 S644 | I643-R646 WeakPolarHBondContact O-CB 3.27Å; I643-R646 PolarHBondContact O-N 3.3Å; S644-R646 PolarHBondContact O-N 3.4Å; S644-R646 VanDerWaalsContact O-N 3.09Å |
| 647 | F | 80.3 | Confident | 84.8 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -110.1 | 144.8 | 178.2 | -68.8 | -65.3 | 0 | 0 | 0 | 111.6 | I643 S644 P653 C654 M657 | I643-F647 HydrophobicContact CG2-CD2 4.38Å; I643-F647 HydrophobicContact CG2-CE2 3.71Å; S644-F647 PolarHBondContact O-N 3.27Å; F647-P653 HydrophobicContact CD1-CB 3.7Å; F647-P653 HydrophobicContact CD1-CG 4.5Å; F647-P653 HydrophobicContact CE1-CB 3.67Å; F647-P653 HydrophobicContact CE1-CG 4.41Å; F647-P653 HydrophobicContact CG-CB 4.19Å; F647-P653 HydrophobicContact CZ-CB 4.13Å; F647-C654 HydrophobicContact CB-CB 4.24Å; F647-M657 HydrophobicContact CD2-CG 3.73Å; F647-M657 HydrophobicContact CE2-CG 3.71Å; F647-M657 HydrophobicContact CE2-SD 4.1Å |
| 648 | E | 79.1 | Confident | 84.7 | Confident | 149 Ų | 149 | 59.2 Ų | 59.2 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | trans | -79.8 | 139.5 | 178.4 | -65.6 | 172.4 | 168.2 | 0 | 0 | 111 | T651 C654 | E648-T651 HydrophobicContact CB-CG2 3.94Å; E648-T651 WeakPolarHBondContact O-CB 3.47Å; E648-T651 WeakPolarHBondContact O-CG2 3.38Å; E648-T651 PolarHBondContact O-N 3.49Å; E648-T651 PolarHBondContact O-OG1 2.76Å; E648-C654 VanDerWaalsContact O-CB 3.24Å; E648-C654 WeakPolarHBondContact O-CB 3.24Å | ||
| 649 | P | 78.9 | Confident | 84.7 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 152.7 | 172.2 | -32.3 | 38.9 | 0 | 0 | 0 | 114.7 | T651 T723 V724 | P649-T651 PolarHBondContact O-N 3.48Å; P649-T723 WeakPolarHBondContact CB-O 3.3Å; P649-V724 WeakPolarHBondContact CG-O 3.45Å |
| 650 | G | 73.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -25.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K655 G721 | G650-K655 VanDerWaalsContact O-CE 3.27Å; G650-K655 WeakPolarHBondContact O-CE 3.5Å; G650-K655 PolarHBondContact O-NZ 3.01Å; G650-G721 WeakPolarHBondContact CA-O 3.45Å; G650-G721 PolarHBondContact N-O 2.85Å |
| 651 | T | 84.2 | Confident | 84.8 | Confident | 46 Ų | 46 | 60 Ų | 60 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -66.8 | 149.2 | -176.1 | 69 | 0 | 0 | 0 | 0 | 113.3 | E648 P649 C654 K655 | E648-T651 HydrophobicContact CB-CG2 3.94Å; E648-T651 WeakPolarHBondContact O-CB 3.47Å; E648-T651 WeakPolarHBondContact O-CG2 3.38Å; E648-T651 PolarHBondContact O-N 3.49Å; E648-T651 PolarHBondContact O-OG1 2.76Å; P649-T651 PolarHBondContact O-N 3.48Å; T651-C654 VanDerWaalsContact O-CB 3.3Å; T651-C654 WeakPolarHBondContact O-CB 3.43Å; T651-C654 PolarHBondContact O-N 2.97Å; T651-C654 VanDerWaalsContact O-N 3.08Å; T651-C654 VanDerWaalsContact OG1-CB 3.31Å; T651-C654 WeakPolarHBondContact OG1-CB 3.47Å; T651-C654 PolarHBondContact OG1-N 3.26Å; T651-K655 WeakPolarHBondContact O-CG 3.43Å; T651-K655 PolarHBondContact O-N 3.23Å; T651-K655 VanDerWaalsContact O-N 3.13Å |
| 652 | L | 84.6 | Confident | 85 | Confident | 135 Ų | 135 | 57.3 Ų | 57.3 | 71% | 0.707 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.2 | -42.2 | 179.2 | -178.9 | 63.7 | 0 | 0 | 0 | 113.6 | C654 K655 V656 | L652-C654 PolarHBondContact O-N 3.17Å; L652-K655 PolarHBondContact O-N 3.28Å; L652-V656 HydrophobicContact CD1-CG2 4.47Å; L652-V656 WeakPolarHBondContact O-CG2 3.5Å; L652-V656 PolarHBondContact O-N 2.92Å |
| 653 | P | 85.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 38% | 0.383 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.1 | -25.5 | 36.3 | 0 | 0 | 0 | 113.2 | F647 K655 V656 M657 | F647-P653 HydrophobicContact CD1-CB 3.7Å; F647-P653 HydrophobicContact CD1-CG 4.5Å; F647-P653 HydrophobicContact CE1-CB 3.67Å; F647-P653 HydrophobicContact CE1-CG 4.41Å; F647-P653 HydrophobicContact CG-CB 4.19Å; F647-P653 HydrophobicContact CZ-CB 4.13Å; P653-K655 VanDerWaalsContact C-N 3.28Å; P653-K655 PolarHBondContact O-N 2.88Å; P653-V656 PolarHBondContact O-N 3.22Å; P653-M657 WeakPolarHBondContact O-CB 3.47Å; P653-M657 VanDerWaalsContact O-CG 3.24Å; P653-M657 WeakPolarHBondContact O-CG 3.4Å; P653-M657 PolarHBondContact O-N 2.87Å |
| 654 | C | 87.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 176.7 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | F647 E648 T651 L652 A658 C726 | F647-C654 HydrophobicContact CB-CB 4.24Å; E648-C654 VanDerWaalsContact O-CB 3.24Å; E648-C654 WeakPolarHBondContact O-CB 3.24Å; T651-C654 VanDerWaalsContact O-CB 3.3Å; T651-C654 WeakPolarHBondContact O-CB 3.43Å; T651-C654 PolarHBondContact O-N 2.97Å; T651-C654 VanDerWaalsContact O-N 3.08Å; T651-C654 VanDerWaalsContact OG1-CB 3.31Å; T651-C654 WeakPolarHBondContact OG1-CB 3.47Å; T651-C654 PolarHBondContact OG1-N 3.26Å; L652-C654 PolarHBondContact O-N 3.17Å; C654-A658 WeakPolarHBondContact O-CB 3.02Å; C654-A658 PolarHBondContact O-N 3.18Å; C654-C726 VanDerWaalsContact CA-SG 3.59Å; C654-C726 HydrophobicContact CB-CB 4.09Å; C654-C726 WeakPolarHBondContact CB-SG 3.44Å; C654-C726 WeakPolarHBondContact SG-CA 3.08Å; C654-C726 WeakPolarHBondContact SG-CB 3.33Å; C654-C726 CovalentContact SG-SG 2.03Å; C654-C726 PolarHBondContact SG-SG 2.66Å |
| 655 | K | 86.3 | Confident | 86.1 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 176.8 | -59.1 | -170.4 | 169.8 | 162.9 | 0 | 112.7 | G650 T651 L652 P653 A658 V659 Y720 E722 | G650-K655 VanDerWaalsContact O-CE 3.27Å; G650-K655 WeakPolarHBondContact O-CE 3.5Å; G650-K655 PolarHBondContact O-NZ 3.01Å; T651-K655 WeakPolarHBondContact O-CG 3.43Å; T651-K655 PolarHBondContact O-N 3.23Å; T651-K655 VanDerWaalsContact O-N 3.13Å; L652-K655 PolarHBondContact O-N 3.28Å; P653-K655 VanDerWaalsContact C-N 3.28Å; P653-K655 PolarHBondContact O-N 2.88Å; K655-A658 PolarHBondContact O-N 2.9Å; K655-V659 WeakPolarHBondContact O-CG2 3.43Å; K655-V659 PolarHBondContact O-N 2.71Å; K655-V659 VanDerWaalsContact O-N 3.12Å; K655-Y720 WeakPolarHBondContact CE-O 3.35Å; K655-Y720 VanDerWaalsContact CG-O 3.3Å; K655-Y720 WeakPolarHBondContact CG-O 3.39Å; K655-E722 WeakPolarHBondContact CE-OE2 3.47Å; K655-E722 IonicContact NZ-OE1 3.59Å; K655-E722 IonicContact NZ-OE2 2.6Å; K655-E722 PolarHBondContact NZ-OE2 3.44Å |
| 656 | V | 89.5 | Confident | 86.9 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 46% | 0.461 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L652 P653 A658 V659 L660 | L652-V656 HydrophobicContact CD1-CG2 4.47Å; L652-V656 WeakPolarHBondContact O-CG2 3.5Å; L652-V656 PolarHBondContact O-N 2.92Å; P653-V656 PolarHBondContact O-N 3.22Å; V656-A658 PolarHBondContact O-N 3.22Å; V656-V659 PolarHBondContact O-N 2.99Å; V656-L660 HydrophobicContact CG1-CD1 3.91Å; V656-L660 HydrophobicContact CG1-CG 4.35Å; V656-L660 WeakPolarHBondContact O-CG 3.47Å; V656-L660 PolarHBondContact O-N 3.21Å |
| 657 | M | 88.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.2 | -72.3 | -65.3 | -63 | 0 | 0 | 112.1 | L640 I643 F647 P653 V659 L660 L661 | L640-M657 HydrophobicContact CB-CE 4.07Å; L640-M657 HydrophobicContact CD2-CE 3.57Å; L640-M657 HydrophobicContact CD2-SD 3.78Å; L640-M657 HydrophobicContact CG-CE 4.44Å; L640-M657 WeakPolarHBondContact O-CE 3.23Å; I643-M657 HydrophobicContact CB-CE 3.84Å; I643-M657 HydrophobicContact CG2-CE 3.65Å; I643-M657 HydrophobicContact CG2-SD 4.29Å; F647-M657 HydrophobicContact CD2-CG 3.73Å; F647-M657 HydrophobicContact CE2-CG 3.71Å; F647-M657 HydrophobicContact CE2-SD 4.1Å; P653-M657 WeakPolarHBondContact O-CB 3.47Å; P653-M657 VanDerWaalsContact O-CG 3.24Å; P653-M657 WeakPolarHBondContact O-CG 3.4Å; P653-M657 PolarHBondContact O-N 2.87Å; M657-V659 VanDerWaalsContact C-N 3.34Å; M657-V659 PolarHBondContact O-N 3.27Å; M657-L660 PolarHBondContact O-N 3.3Å; M657-L661 WeakPolarHBondContact O-CB 3.37Å; M657-L661 PolarHBondContact O-N 3.34Å |
| 658 | A | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C654 K655 V656 H662 Y720 | C654-A658 WeakPolarHBondContact O-CB 3.02Å; C654-A658 PolarHBondContact O-N 3.18Å; K655-A658 PolarHBondContact O-N 2.9Å; V656-A658 PolarHBondContact O-N 3.22Å; A658-H662 VanDerWaalsContact O-CB 3.26Å; A658-H662 WeakPolarHBondContact O-CB 3.2Å; A658-H662 PolarHBondContact O-N 3.46Å; A658-H662 VanDerWaalsContact O-N 3.08Å; A658-Y720 HydrophobicContact CB-CD1 4.02Å |
| 659 | V | 90.7 | Very high | 88.8 | Confident | 40 Ų | 40 | 33.1 Ų | 33.1 | 24% | 0.242 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.2 | -42.4 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | K655 V656 M657 F663 A713 Y720 | K655-V659 WeakPolarHBondContact O-CG2 3.43Å; K655-V659 PolarHBondContact O-N 2.71Å; K655-V659 VanDerWaalsContact O-N 3.12Å; V656-V659 PolarHBondContact O-N 2.99Å; M657-V659 VanDerWaalsContact C-N 3.34Å; M657-V659 PolarHBondContact O-N 3.27Å; V659-F663 PolarHBondContact O-N 3.04Å; V659-F663 VanDerWaalsContact O-N 3.12Å; V659-A713 HydrophobicContact CG2-CB 4.48Å; V659-Y720 HydrophobicContact CG2-CD1 3.59Å; V659-Y720 HydrophobicContact CG2-CD2 4.46Å; V659-Y720 HydrophobicContact CG2-CE1 3.97Å; V659-Y720 HydrophobicContact CG2-CG 3.89Å |
| 660 | L | 92.4 | Very high | 89.5 | Confident | 67 Ų | 67 | 30.4 Ų | 30.4 | 35% | 0.351 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 176.6 | -70.7 | 172.4 | 0 | 0 | 0 | 111.5 | L640 V656 M657 H662 F663 F664 | L640-L660 HydrophobicContact CD1-CB 3.84Å; L640-L660 HydrophobicContact CD2-CB 4.41Å; L640-L660 HydrophobicContact CD2-CD1 4.35Å; V656-L660 HydrophobicContact CG1-CD1 3.91Å; V656-L660 HydrophobicContact CG1-CG 4.35Å; V656-L660 WeakPolarHBondContact O-CG 3.47Å; V656-L660 PolarHBondContact O-N 3.21Å; M657-L660 PolarHBondContact O-N 3.3Å; L660-H662 VanDerWaalsContact C-N 3.3Å; L660-H662 PolarHBondContact O-N 2.97Å; L660-F663 PolarHBondContact O-N 3.06Å; L660-F663 VanDerWaalsContact O-N 3.14Å; L660-F664 VanDerWaalsContact O-CD2 3.3Å; L660-F664 WeakPolarHBondContact O-CD2 3.32Å; L660-F664 PolarHBondContact O-N 3.48Å |
| 661 | L | 90.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | -179.4 | -169.5 | 60.9 | 0 | 0 | 0 | 111.3 | A637 L640 L641 M657 F665 W727 | A637-L661 VanDerWaalsContact O-CD1 3.25Å; A637-L661 WeakPolarHBondContact O-CD1 3.4Å; L640-L661 HydrophobicContact CB-CD1 3.76Å; L641-L661 HydrophobicContact CB-CD1 4.12Å; L641-L661 HydrophobicContact CB-CD2 4.49Å; M657-L661 WeakPolarHBondContact O-CB 3.37Å; M657-L661 PolarHBondContact O-N 3.34Å; L661-F665 HydrophobicContact CD1-CD2 3.82Å; L661-F665 HydrophobicContact CD1-CE2 3.44Å; L661-F665 VanDerWaalsContact CD1-CE2 3.44Å; L661-F665 HydrophobicContact CD1-CZ 4.26Å; L661-F665 HydrophobicContact CD2-CE2 4.29Å; L661-F665 HydrophobicContact CG-CD2 3.84Å; L661-F665 HydrophobicContact CG-CE2 3.7Å; L661-F665 WeakPolarHBondContact O-CD2 3.37Å; L661-F665 PolarHBondContact O-N 3.07Å; L661-W727 HydrophobicContact CB-CE3 4.31Å; L661-W727 HydrophobicContact CB-CZ3 3.85Å; L661-W727 HydrophobicContact CD2-CE3 3.84Å; L661-W727 HydrophobicContact CD2-CZ3 3.91Å; L661-W727 HydrophobicContact CG-CE3 4.09Å; L661-W727 HydrophobicContact CG-CZ3 3.63Å |
| 662 | H | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 171.7 | -178.2 | -142.6 | 0 | 0 | 0 | 112 | A658 L660 L666 C709 Y720 W727 L728 | A658-H662 VanDerWaalsContact O-CB 3.26Å; A658-H662 WeakPolarHBondContact O-CB 3.2Å; A658-H662 PolarHBondContact O-N 3.46Å; A658-H662 VanDerWaalsContact O-N 3.08Å; L660-H662 VanDerWaalsContact C-N 3.3Å; L660-H662 PolarHBondContact O-N 2.97Å; H662-L666 WeakPolarHBondContact O-CB 3.32Å; H662-L666 WeakPolarHBondContact O-CG 3.47Å; H662-L666 PolarHBondContact O-N 3.31Å; H662-C709 PolarHBondContact ND1-SG 2.99Å; H662-Y720 HydrophobicContact CB-CE1 4.36Å; H662-Y720 PolarHBondContact CE1-OH 2.9Å; H662-Y720 VanDerWaalsContact CE1-OH 3.29Å; H662-Y720 AromaticContact ND1-CE1 3.89Å; H662-Y720 AromaticContact ND1-CZ 3.97Å; H662-Y720 PolarHBondContact ND1-OH 3.06Å; H662-Y720 VanDerWaalsContact ND1-OH 3.14Å; H662-W727 HydrophobicContact CB-CZ3 4.39Å; H662-L728 HydrophobicContact CB-CD1 3.92Å |
| 663 | F | 94.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 21.3 Ų | 21.3 | 17% | 0.167 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.3 | 170.2 | -106.2 | 0 | 0 | 0 | 112.9 | V659 L660 L666 S667 W702 P705 L706 C709 | V659-F663 PolarHBondContact O-N 3.04Å; V659-F663 VanDerWaalsContact O-N 3.12Å; L660-F663 PolarHBondContact O-N 3.06Å; L660-F663 VanDerWaalsContact O-N 3.14Å; F663-L666 PolarHBondContact O-N 3.01Å; F663-S667 VanDerWaalsContact O-CB 3.31Å; F663-S667 WeakPolarHBondContact O-CB 3.46Å; F663-S667 PolarHBondContact O-N 2.86Å; F663-S667 PolarHBondContact O-OG 2.88Å; F663-W702 HydrophobicContact CE1-CE3 4.21Å; F663-W702 HydrophobicContact CE1-CZ3 4.1Å; F663-W702 AromaticContact CZ-CE3 3.71Å; F663-W702 HydrophobicContact CZ-CE3 3.71Å; F663-W702 HydrophobicContact CZ-CZ3 4.08Å; F663-P705 HydrophobicContact CD2-CB 3.97Å; F663-P705 HydrophobicContact CE2-CB 3.98Å; F663-L706 HydrophobicContact CD2-CB 4.47Å; F663-L706 HydrophobicContact CE2-CB 3.88Å; F663-L706 HydrophobicContact CE2-CD1 4.28Å; F663-C709 WeakPolarHBondContact CA-SG 3.04Å; F663-C709 HydrophobicContact CB-CB 4.41Å |
| 664 | F | 94.8 | Very high | 91.4 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.3 | -36.4 | -178.1 | -78.9 | -74 | 0 | 0 | 0 | 112.9 | F632 V636 A637 L640 L660 S667 A668 W702 | F632-F664 HydrophobicContact CE1-CE1 4.48Å; V636-F664 HydrophobicContact CB-CD1 3.84Å; V636-F664 HydrophobicContact CB-CE1 3.92Å; V636-F664 HydrophobicContact CB-CG 4.17Å; V636-F664 HydrophobicContact CB-CZ 4.32Å; V636-F664 HydrophobicContact CG1-CD1 3.82Å; V636-F664 HydrophobicContact CG1-CD2 3.68Å; V636-F664 HydrophobicContact CG1-CE1 3.73Å; V636-F664 HydrophobicContact CG1-CE2 3.59Å; V636-F664 HydrophobicContact CG1-CG 3.8Å; V636-F664 HydrophobicContact CG1-CZ 3.62Å; V636-F664 HydrophobicContact CG2-CE1 4.37Å; A637-F664 HydrophobicContact CB-CB 4.01Å; L640-F664 HydrophobicContact CD1-CB 4.47Å; L640-F664 HydrophobicContact CD1-CD2 3.45Å; L640-F664 VanDerWaalsContact CD1-CD2 3.45Å; L640-F664 HydrophobicContact CD1-CE2 4.06Å; L640-F664 HydrophobicContact CD1-CG 4.23Å; L660-F664 VanDerWaalsContact O-CD2 3.3Å; L660-F664 WeakPolarHBondContact O-CD2 3.32Å; L660-F664 PolarHBondContact O-N 3.48Å; F664-S667 PolarHBondContact O-N 3.49Å; F664-A668 WeakPolarHBondContact O-CB 3.3Å; F664-A668 PolarHBondContact O-N 3.31Å; F664-W702 HydrophobicContact CD1-CH2 4.45Å; F664-W702 HydrophobicContact CD1-CZ3 4.2Å; F664-W702 HydrophobicContact CE1-CH2 4.17Å; F664-W702 AromaticContact CE1-CZ3 4Å; F664-W702 HydrophobicContact CE1-CZ3 4Å |
| 665 | F | 91.5 | Very high | 91.4 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 10% | 0.101 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.6 | -42.8 | 171.7 | -80.3 | -57.6 | 0 | 0 | 0 | 112.9 | A637 L641 L661 S667 A668 F669 W727 F738 W795 | A637-F665 HydrophobicContact CB-CD1 3.94Å; A637-F665 HydrophobicContact CB-CE1 3.88Å; A637-F665 HydrophobicContact CB-CG 4.29Å; A637-F665 HydrophobicContact CB-CZ 4.2Å; L641-F665 HydrophobicContact CD1-CE2 4.2Å; L641-F665 HydrophobicContact CD1-CZ 3.86Å; L661-F665 HydrophobicContact CD1-CD2 3.82Å; L661-F665 HydrophobicContact CD1-CE2 3.44Å; L661-F665 VanDerWaalsContact CD1-CE2 3.44Å; L661-F665 HydrophobicContact CD1-CZ 4.26Å; L661-F665 HydrophobicContact CD2-CE2 4.29Å; L661-F665 HydrophobicContact CG-CD2 3.84Å; L661-F665 HydrophobicContact CG-CE2 3.7Å; L661-F665 WeakPolarHBondContact O-CD2 3.37Å; L661-F665 PolarHBondContact O-N 3.07Å; F665-S667 VanDerWaalsContact C-N 3.27Å; F665-S667 PolarHBondContact O-N 2.91Å; F665-A668 WeakPolarHBondContact O-CB 3.38Å; F665-A668 PolarHBondContact O-N 3.43Å; F665-F669 VanDerWaalsContact O-CD2 3.23Å; F665-F669 WeakPolarHBondContact O-CD2 3.25Å; F665-F669 PolarHBondContact O-N 3.42Å; F665-W727 HydrophobicContact CD2-CH2 4Å; F665-W727 HydrophobicContact CD2-CZ3 4.32Å; F665-F738 HydrophobicContact CB-CE2 3.73Å; F665-F738 HydrophobicContact CB-CZ 4.24Å; F665-W795 AromaticContact CD1-CH2 3.98Å; F665-W795 HydrophobicContact CD1-CH2 3.98Å; F665-W795 HydrophobicContact CD1-CZ2 4.08Å; F665-W795 AromaticContact CE1-CH2 3.97Å; F665-W795 HydrophobicContact CE1-CH2 3.97Å; F665-W795 HydrophobicContact CE1-CZ2 4.03Å |
| 666 | L | 92.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.3 | -35.6 | 173.4 | -76.2 | -176.4 | 0 | 0 | 0 | 112.1 | H662 F663 F669 A670 P705 I708 F738 P741 | H662-L666 WeakPolarHBondContact O-CB 3.32Å; H662-L666 WeakPolarHBondContact O-CG 3.47Å; H662-L666 PolarHBondContact O-N 3.31Å; F663-L666 PolarHBondContact O-N 3.01Å; L666-F669 PolarHBondContact O-N 3.29Å; L666-A670 WeakPolarHBondContact O-CB 3.41Å; L666-A670 PolarHBondContact O-N 3.05Å; L666-P705 HydrophobicContact CB-CB 3.88Å; L666-P705 HydrophobicContact CB-CG 4.44Å; L666-I708 HydrophobicContact CD1-CB 4.12Å; L666-I708 HydrophobicContact CD1-CG2 3.61Å; L666-F738 HydrophobicContact CD2-CD2 3.82Å; L666-F738 HydrophobicContact CD2-CE2 4.33Å; L666-F738 HydrophobicContact CG-CD2 4.05Å; L666-P741 HydrophobicContact CD2-CB 3.89Å; L666-P741 HydrophobicContact CD2-CG 4.4Å |
| 667 | S | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 174 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | F663 F664 F665 A670 W671 P705 | F663-S667 VanDerWaalsContact O-CB 3.31Å; F663-S667 WeakPolarHBondContact O-CB 3.46Å; F663-S667 PolarHBondContact O-N 2.86Å; F663-S667 PolarHBondContact O-OG 2.88Å; F664-S667 PolarHBondContact O-N 3.49Å; F665-S667 VanDerWaalsContact C-N 3.27Å; F665-S667 PolarHBondContact O-N 2.91Å; S667-A670 PolarHBondContact O-N 2.94Å; S667-W671 WeakPolarHBondContact O-CB 3.32Å; S667-W671 PolarHBondContact O-N 2.84Å; S667-P705 WeakPolarHBondContact OG-CB 3.48Å |
| 668 | A | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | L630 A633 I634 F664 F665 A670 W671 M672 | L630-A668 WeakPolarHBondContact CD1-O 3.42Å; A633-A668 HydrophobicContact CB-CB 4.26Å; I634-A668 HydrophobicContact CG1-CB 4.01Å; F664-A668 WeakPolarHBondContact O-CB 3.3Å; F664-A668 PolarHBondContact O-N 3.31Å; F665-A668 WeakPolarHBondContact O-CB 3.38Å; F665-A668 PolarHBondContact O-N 3.43Å; A668-A670 PolarHBondContact O-N 3.12Å; A668-W671 PolarHBondContact O-N 3.42Å; A668-M672 HydrophobicContact CB-CE 3.82Å; A668-M672 VanDerWaalsContact O-CG 3.3Å; A668-M672 WeakPolarHBondContact O-CG 3.3Å; A668-M672 PolarHBondContact O-N 3Å |
| 669 | F | 91.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 174.6 | -77.2 | -64.5 | 0 | 0 | 0 | 113 | F665 L666 W671 M672 L673 F738 A742 V745 I746 W795 | F665-F669 VanDerWaalsContact O-CD2 3.23Å; F665-F669 WeakPolarHBondContact O-CD2 3.25Å; F665-F669 PolarHBondContact O-N 3.42Å; L666-F669 PolarHBondContact O-N 3.29Å; F669-W671 VanDerWaalsContact C-N 3.29Å; F669-W671 PolarHBondContact O-N 2.58Å; F669-M672 HydrophobicContact CD1-SD 4.37Å; F669-M672 PolarHBondContact O-N 2.94Å; F669-L673 PolarHBondContact O-N 3.16Å; F669-F738 HydrophobicContact CD2-CE2 4.24Å; F669-F738 AromaticContact CE2-CE2 3.83Å; F669-F738 HydrophobicContact CE2-CE2 3.83Å; F669-F738 AromaticContact CE2-CZ 3.79Å; F669-F738 HydrophobicContact CE2-CZ 3.79Å; F669-A742 HydrophobicContact CD2-CB 3.99Å; F669-A742 HydrophobicContact CE1-CB 4.18Å; F669-A742 HydrophobicContact CE2-CB 3.62Å; F669-A742 HydrophobicContact CG-CB 4.41Å; F669-A742 HydrophobicContact CZ-CB 3.72Å; F669-V745 HydrophobicContact CB-CB 4.45Å; F669-V745 HydrophobicContact CB-CG1 4.26Å; F669-V745 HydrophobicContact CB-CG2 4.27Å; F669-V745 HydrophobicContact CD1-CG1 4.14Å; F669-V745 WeakPolarHBondContact O-CG1 3.07Å; F669-I746 HydrophobicContact CE1-CD1 4.44Å; F669-I746 HydrophobicContact CE1-CG1 4.47Å; F669-W795 HydrophobicContact CE1-CB 4.31Å; F669-W795 HydrophobicContact CE1-CD2 4.09Å; F669-W795 AromaticContact CE1-CG 3.92Å; F669-W795 HydrophobicContact CE1-CG 3.92Å; F669-W795 HydrophobicContact CE2-CD2 4.41Å; F669-W795 HydrophobicContact CE2-CE3 4.35Å; F669-W795 HydrophobicContact CE2-CH2 4.46Å; F669-W795 HydrophobicContact CE2-CZ3 4.38Å; F669-W795 HydrophobicContact CZ-CB 4.3Å; F669-W795 AromaticContact CZ-CD2 3.45Å; F669-W795 HydrophobicContact CZ-CD2 3.45Å; F669-W795 VanDerWaalsContact CZ-CD2 3.45Å; F669-W795 AromaticContact CZ-CE2 3.77Å; F669-W795 AromaticContact CZ-CE3 3.66Å; F669-W795 HydrophobicContact CZ-CE3 3.66Å; F669-W795 AromaticContact CZ-CG 3.77Å; F669-W795 HydrophobicContact CZ-CG 3.77Å; F669-W795 HydrophobicContact CZ-CH2 4.37Å; F669-W795 HydrophobicContact CZ-CZ2 4.21Å; F669-W795 HydrophobicContact CZ-CZ3 4.12Å |
| 670 | A | 93.9 | Very high | 90.1 | Very high | 7 Ų | 7 | 17.8 Ų | 17.8 | 6% | 0.058 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L666 S667 A668 L673 V674 I700 P705 | L666-A670 WeakPolarHBondContact O-CB 3.41Å; L666-A670 PolarHBondContact O-N 3.05Å; S667-A670 PolarHBondContact O-N 2.94Å; A668-A670 PolarHBondContact O-N 3.12Å; A670-L673 PolarHBondContact O-N 3.26Å; A670-V674 WeakPolarHBondContact O-CG2 3.37Å; A670-V674 PolarHBondContact O-N 3.07Å; A670-I700 HydrophobicContact CB-CG2 4.47Å; A670-P705 HydrophobicContact CB-CG 3.75Å |
| 671 | W | 94 | Very high | 89.5 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -73.6 | -34.2 | 173.2 | -79.4 | 109.7 | 0 | 0 | 0 | 113.5 | I626 N629 L630 S667 A668 F669 L673 V674 E675 Y698 G701 W702 | I626-W671 HydrophobicContact CB-CZ3 4.44Å; I626-W671 HydrophobicContact CG1-CZ3 4.23Å; I626-W671 HydrophobicContact CG2-CE3 4.24Å; I626-W671 HydrophobicContact CG2-CZ3 4.41Å; N629-W671 HydrophobicContact CB-CD2 3.65Å; N629-W671 VanDerWaalsContact CB-CE2 3.41Å; N629-W671 HydrophobicContact CB-CE3 3.94Å; N629-W671 HydrophobicContact CB-CG 4.29Å; N629-W671 HydrophobicContact CB-CH2 3.85Å; N629-W671 HydrophobicContact CB-CZ2 3.53Å; N629-W671 HydrophobicContact CB-CZ3 4.03Å; L630-W671 HydrophobicContact CB-CB 3.97Å; L630-W671 HydrophobicContact CD1-CB 3.81Å; L630-W671 HydrophobicContact CG-CB 4.45Å; S667-W671 WeakPolarHBondContact O-CB 3.32Å; S667-W671 PolarHBondContact O-N 2.84Å; A668-W671 PolarHBondContact O-N 3.42Å; F669-W671 VanDerWaalsContact C-N 3.29Å; F669-W671 PolarHBondContact O-N 2.58Å; W671-L673 VanDerWaalsContact C-N 3.29Å; W671-L673 PolarHBondContact O-N 2.96Å; W671-V674 HydrophobicContact CE3-CB 4.03Å; W671-V674 HydrophobicContact CE3-CG1 3.88Å; W671-V674 HydrophobicContact CE3-CG2 4.49Å; W671-V674 HydrophobicContact CZ3-CB 4.4Å; W671-V674 HydrophobicContact CZ3-CG1 3.81Å; W671-V674 PolarHBondContact O-N 2.77Å; W671-E675 PolarHBondContact O-N 2.73Å; W671-Y698 AromaticContact CH2-CD2 4Å; W671-Y698 HydrophobicContact CH2-CD2 4Å; W671-Y698 HydrophobicContact CH2-CE2 4.11Å; W671-Y698 HydrophobicContact CH2-CG 4.25Å; W671-Y698 HydrophobicContact CZ2-CD1 4.34Å; W671-Y698 HydrophobicContact CZ2-CE1 4.5Å; W671-Y698 HydrophobicContact CZ2-CG 4.36Å; W671-G701 PolarHBondContact NE1-O 2.75Å; W671-W702 AromaticContact CE2-CD1 3.93Å; W671-W702 AromaticContact CE2-NE1 3.66Å; W671-W702 AromaticContact CZ2-CD1 3.56Å; W671-W702 HydrophobicContact CZ2-CG 4.46Å; W671-W702 AromaticContact CZ2-NE1 3.48Å; W671-W702 AromaticContact NE1-CD1 3.66Å; W671-W702 AromaticContact NE1-CD2 3.65Å; W671-W702 AromaticContact NE1-CE2 3.32Å; W671-W702 VanDerWaalsContact NE1-CE2 3.32Å; W671-W702 AromaticContact NE1-CG 3.87Å; W671-W702 AromaticContact NE1-CZ2 3.78Å; W671-W702 AromaticContact NE1-NE1 3.31Å |
| 672 | M | 91.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -33.6 | 169.7 | -67.9 | 174.5 | -136.5 | 0 | 0 | 112 | L630 I634 A668 F669 G676 N749 G792 Q820 | L630-M672 HydrophobicContact CD1-CE 4.38Å; L630-M672 HydrophobicContact CD1-CG 3.74Å; L630-M672 HydrophobicContact CD2-CG 4.19Å; I634-M672 HydrophobicContact CD1-CE 4.49Å; A668-M672 HydrophobicContact CB-CE 3.82Å; A668-M672 VanDerWaalsContact O-CG 3.3Å; A668-M672 WeakPolarHBondContact O-CG 3.3Å; A668-M672 PolarHBondContact O-N 3Å; F669-M672 HydrophobicContact CD1-SD 4.37Å; F669-M672 PolarHBondContact O-N 2.94Å; M672-G676 PolarHBondContact O-N 2.87Å; M672-N749 PolarHBondContact O-ND2 2.97Å; M672-N749 VanDerWaalsContact O-ND2 3.09Å; M672-G792 WeakPolarHBondContact SD-CA 3.41Å; M672-Q820 VanDerWaalsContact CE-NE2 3.26Å; M672-Q820 PolarHBondContact SD-NE2 3.33Å |
| 673 | L | 90.8 | Very high | 87.6 | Confident | 20 Ų | 20 | 21 Ų | 21 | 11% | 0.105 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 171.7 | 178.2 | 62.2 | 0 | 0 | 0 | 111.4 | F669 A670 W671 G676 L677 V745 V748 | F669-L673 PolarHBondContact O-N 3.16Å; A670-L673 PolarHBondContact O-N 3.26Å; W671-L673 VanDerWaalsContact C-N 3.29Å; W671-L673 PolarHBondContact O-N 2.96Å; L673-G676 PolarHBondContact O-N 3.44Å; L673-L677 HydrophobicContact CD1-CD1 4.19Å; L673-L677 HydrophobicContact CD1-CG 4.21Å; L673-L677 HydrophobicContact CG-CD1 3.99Å; L673-L677 HydrophobicContact CG-CG 4.44Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 VanDerWaalsContact O-CG 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.46Å; L673-L677 PolarHBondContact O-N 2.76Å; L673-V745 HydrophobicContact CB-CG1 4.13Å; L673-V745 HydrophobicContact CB-CG2 4.19Å; L673-V745 HydrophobicContact CD2-CG2 4.24Å; L673-V748 HydrophobicContact CD1-CB 4.09Å; L673-V748 HydrophobicContact CD1-CG1 3.57Å |
| 674 | V | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | I626 A670 W671 L677 H678 Y697 I700 | I626-V674 HydrophobicContact CD1-CG1 4.17Å; I626-V674 HydrophobicContact CG1-CG1 4.13Å; I626-V674 HydrophobicContact CG2-CG1 4.01Å; A670-V674 WeakPolarHBondContact O-CG2 3.37Å; A670-V674 PolarHBondContact O-N 3.07Å; W671-V674 HydrophobicContact CE3-CB 4.03Å; W671-V674 HydrophobicContact CE3-CG1 3.88Å; W671-V674 HydrophobicContact CE3-CG2 4.49Å; W671-V674 HydrophobicContact CZ3-CB 4.4Å; W671-V674 HydrophobicContact CZ3-CG1 3.81Å; W671-V674 PolarHBondContact O-N 2.77Å; V674-L677 PolarHBondContact O-N 3.49Å; V674-H678 VanDerWaalsContact O-CB 3.3Å; V674-H678 WeakPolarHBondContact O-CB 3.3Å; V674-H678 PolarHBondContact O-N 2.93Å; V674-Y697 HydrophobicContact CG1-CD1 3.8Å; V674-Y697 HydrophobicContact CG1-CG 3.89Å; V674-I700 HydrophobicContact CG2-CB 3.98Å; V674-I700 HydrophobicContact CG2-CG2 3.74Å |
| 675 | E | 87.4 | Confident | 84.7 | Confident | 12 Ų | 12 | 27.2 Ų | 27.2 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.9 | -173.4 | 178.2 | -163.7 | 0 | 0 | 111.6 | I626 H627 L630 W671 L677 H678 L679 I790 H828 | I626-E675 HydrophobicContact CG2-CB 4.11Å; H627-E675 IonicContact CE1-OE1 3.96Å; H627-E675 PolarHBondContact CE1-OE1 2.98Å; H627-E675 IonicContact ND1-OE1 3.25Å; H627-E675 PolarHBondContact ND1-OE1 3.11Å; L630-E675 WeakPolarHBondContact CD2-OE2 3.24Å; W671-E675 PolarHBondContact O-N 2.73Å; E675-L677 PolarHBondContact O-N 2.88Å; E675-H678 PolarHBondContact O-N 2.99Å; E675-L679 WeakPolarHBondContact O-CB 3.33Å; E675-L679 PolarHBondContact O-N 3.45Å; E675-I790 WeakPolarHBondContact OE1-CG2 3.25Å; E675-I790 WeakPolarHBondContact OE2-CG2 3.3Å; E675-H828 IonicContact OE1-CD2 3.5Å; E675-H828 IonicContact OE1-CE1 3.42Å; E675-H828 PolarHBondContact OE1-CE1 3.2Å; E675-H828 IonicContact OE1-NE2 3.3Å; E675-H828 PolarHBondContact OE1-NE2 3.35Å |
| 676 | G | 87.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | M672 L673 H678 L679 Y680 I752 | M672-G676 PolarHBondContact O-N 2.87Å; L673-G676 PolarHBondContact O-N 3.44Å; G676-H678 VanDerWaalsContact C-N 3.34Å; G676-H678 PolarHBondContact O-N 3.08Å; G676-L679 PolarHBondContact O-N 3.4Å; G676-Y680 WeakPolarHBondContact O-CB 3.47Å; G676-Y680 PolarHBondContact O-N 2.87Å; G676-I752 WeakPolarHBondContact O-CG2 3.33Å |
| 677 | L | 86.9 | Confident | 80.5 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -33.6 | 177.7 | -71.6 | 170.9 | 0 | 0 | 0 | 112.6 | L673 V674 E675 S681 I752 | L673-L677 HydrophobicContact CD1-CD1 4.19Å; L673-L677 HydrophobicContact CD1-CG 4.21Å; L673-L677 HydrophobicContact CG-CD1 3.99Å; L673-L677 HydrophobicContact CG-CG 4.44Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 VanDerWaalsContact O-CG 3.27Å; L673-L677 WeakPolarHBondContact O-CG 3.46Å; L673-L677 PolarHBondContact O-N 2.76Å; V674-L677 PolarHBondContact O-N 3.49Å; E675-L677 PolarHBondContact O-N 2.88Å; L677-S681 VanDerWaalsContact O-CB 3.3Å; L677-S681 WeakPolarHBondContact O-CB 3.3Å; L677-S681 PolarHBondContact O-N 3.27Å; L677-S681 PolarHBondContact O-OG 3.42Å; L677-I752 HydrophobicContact CD2-CD1 4.05Å; L677-I752 HydrophobicContact CG-CD1 4.32Å |
| 678 | H | 83.7 | Confident | 78.1 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -49.5 | 172.9 | 176.3 | -84.9 | 0 | 0 | 0 | 111.1 | I626 V674 E675 G676 Y680 S681 M682 | I626-H678 HydrophobicContact CD1-CB 3.81Å; I626-H678 VanDerWaalsContact CD1-CD2 3.4Å; I626-H678 WeakPolarHBondContact CD1-CD2 3.49Å; V674-H678 VanDerWaalsContact O-CB 3.3Å; V674-H678 WeakPolarHBondContact O-CB 3.3Å; V674-H678 PolarHBondContact O-N 2.93Å; E675-H678 PolarHBondContact O-N 2.99Å; G676-H678 VanDerWaalsContact C-N 3.34Å; G676-H678 PolarHBondContact O-N 3.08Å; H678-Y680 PolarHBondContact O-N 3.49Å; H678-S681 PolarHBondContact O-N 3.48Å; H678-S681 VanDerWaalsContact O-N 3.11Å; H678-M682 WeakPolarHBondContact O-CB 3.26Å; H678-M682 PolarHBondContact O-N 3.04Å |
| 679 | L | 79.5 | Confident | 76 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.7 | -48.9 | 174.6 | 179.9 | 70.4 | 0 | 0 | 0 | 111.4 | E675 G676 S681 M682 V683 V756 V896 | E675-L679 WeakPolarHBondContact O-CB 3.33Å; E675-L679 PolarHBondContact O-N 3.45Å; G676-L679 PolarHBondContact O-N 3.4Å; L679-S681 VanDerWaalsContact C-N 3.35Å; L679-S681 PolarHBondContact O-N 3.38Å; L679-M682 HydrophobicContact CD1-CE 4.22Å; L679-M682 PolarHBondContact O-N 2.86Å; L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å; L679-V756 HydrophobicContact CD2-CG1 4.36Å; L679-V756 HydrophobicContact CD2-CG2 4.3Å; L679-V756 HydrophobicContact CG-CG1 4.45Å; L679-V756 HydrophobicContact CG-CG2 4.19Å; L679-V896 HydrophobicContact CD1-CG1 3.95Å; L679-V896 VanDerWaalsContact CD1-OXT 3.3Å; L679-V896 WeakPolarHBondContact CD1-OXT 3.4Å |
| 680 | Y | 81.2 | Confident | 74.2 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.3 | -179 | -93.4 | 0 | 0 | 0 | 112.2 | G676 H678 V683 V684 | G676-Y680 WeakPolarHBondContact O-CB 3.47Å; G676-Y680 PolarHBondContact O-N 2.87Å; H678-Y680 PolarHBondContact O-N 3.49Å; Y680-V683 PolarHBondContact O-N 3.09Å; Y680-V684 HydrophobicContact CD1-CG2 4.48Å; Y680-V684 HydrophobicContact CD2-CG2 3.93Å; Y680-V684 HydrophobicContact CE1-CB 4.25Å; Y680-V684 HydrophobicContact CE1-CG1 4.45Å; Y680-V684 HydrophobicContact CE1-CG2 4.29Å; Y680-V684 HydrophobicContact CE2-CG2 3.71Å; Y680-V684 HydrophobicContact CG-CG2 4.31Å; Y680-V684 VanDerWaalsContact O-CB 3.3Å; Y680-V684 WeakPolarHBondContact O-CB 3.3Å; Y680-V684 VanDerWaalsContact O-CG2 3.28Å; Y680-V684 WeakPolarHBondContact O-CG2 3.49Å; Y680-V684 PolarHBondContact O-N 3.29Å |
| 681 | S | 78 | Confident | 72.1 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | -180 | -61.9 | 0 | 0 | 0 | 0 | 112 | L677 H678 L679 K685 | L677-S681 VanDerWaalsContact O-CB 3.3Å; L677-S681 WeakPolarHBondContact O-CB 3.3Å; L677-S681 PolarHBondContact O-N 3.27Å; L677-S681 PolarHBondContact O-OG 3.42Å; H678-S681 PolarHBondContact O-N 3.48Å; H678-S681 VanDerWaalsContact O-N 3.11Å; L679-S681 VanDerWaalsContact C-N 3.35Å; L679-S681 PolarHBondContact O-N 3.38Å; S681-K685 CarbonylContact O-C 2.89Å; S681-K685 WeakPolarHBondContact O-CA 3.18Å; S681-K685 PolarHBondContact O-N 3.21Å |
| 682 | M | 73.5 | Confident | 70.3 | Confident | 70 Ų | 70 | 63 Ų | 63 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.9 | -174.3 | 174.6 | 74.1 | 0 | 0 | 112.1 | H678 L679 A895 V896 | H678-M682 WeakPolarHBondContact O-CB 3.26Å; H678-M682 PolarHBondContact O-N 3.04Å; L679-M682 HydrophobicContact CD1-CE 4.22Å; L679-M682 PolarHBondContact O-N 2.86Å; M682-A895 WeakPolarHBondContact CE-O 3.43Å; M682-V896 WeakPolarHBondContact CE-OXT 3.5Å |
| 683 | V | 70.3 | Confident | 69.2 | Low | 31 Ų | 31 | 66.4 Ų | 66.4 | 19% | 0.188 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -80.3 | -28.3 | -177.3 | 173.3 | 0 | 0 | 0 | 0 | 113.2 | L679 Y680 V756 I759 | L679-V683 WeakPolarHBondContact O-CG2 3.45Å; L679-V683 PolarHBondContact O-N 2.92Å; Y680-V683 PolarHBondContact O-N 3.09Å; V683-V756 HydrophobicContact CB-CG2 4.48Å; V683-V756 HydrophobicContact CG2-CG1 4.3Å; V683-I759 HydrophobicContact CG1-CB 4.02Å; V683-I759 HydrophobicContact CG1-CD1 4.17Å; V683-I759 HydrophobicContact CG1-CG2 3.65Å |
| 684 | V | 67.6 | Low | 68.2 | Low | 56 Ų | 56 | 67.4 Ų | 67.4 | 34% | 0.339 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -111.3 | -30.3 | -171.1 | -172.3 | 0 | 0 | 0 | 0 | 114.4 | Y680 I759 | Y680-V684 HydrophobicContact CD1-CG2 4.48Å; Y680-V684 HydrophobicContact CD2-CG2 3.93Å; Y680-V684 HydrophobicContact CE1-CB 4.25Å; Y680-V684 HydrophobicContact CE1-CG1 4.45Å; Y680-V684 HydrophobicContact CE1-CG2 4.29Å; Y680-V684 HydrophobicContact CE2-CG2 3.71Å; Y680-V684 HydrophobicContact CG-CG2 4.31Å; Y680-V684 VanDerWaalsContact O-CB 3.3Å; Y680-V684 WeakPolarHBondContact O-CB 3.3Å; Y680-V684 VanDerWaalsContact O-CG2 3.28Å; Y680-V684 WeakPolarHBondContact O-CG2 3.49Å; Y680-V684 PolarHBondContact O-N 3.29Å; V684-I759 HydrophobicContact CG2-CD1 3.56Å |
| 685 | K | 59.3 | Low | 67.6 | Low | 141 Ų | 141 | 76 Ų | 76 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | trans | -119.3 | 64.1 | -170.8 | -67.5 | -179.5 | 179.7 | 172.1 | 0 | 111.7 | S681 F687 | S681-K685 CarbonylContact O-C 2.89Å; S681-K685 WeakPolarHBondContact O-CA 3.18Å; S681-K685 PolarHBondContact O-N 3.21Å; K685-F687 PolarHBondContact O-N 3.19Å | ||
| 686 | V | 52.2 | Low | 67.4 | Low | 103 Ų | 103 | 81.5 Ų | 81.5 | 62% | 0.624 | 44% | 0.435 | S | S | * | . | trans | -56.6 | -25.5 | -170.2 | -167.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 687 | F | 43 | Very low | 67.4 | Low | 199 Ų | 199 | 82.4 Ų | 82.4 | 87% | 0.873 | 44% | 0.439 | S | S | * | . | trans | -135.2 | 109.8 | 178.7 | -61.4 | -75.2 | 0 | 0 | 0 | 112.1 | K685 | K685-F687 PolarHBondContact O-N 3.19Š| ||
| 688 | G | 45.2 | Very low | 67.4 | Low | 53 Ų | 53 | 84.5 Ų | 84.5 | 55% | 0.546 | 44% | 0.444 | S | S | . | . | trans | -172.1 | 91.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K693 | G688-K693 PolarHBondContact O-NZ 2.85Š| ||
| 689 | S | 48 | Very low | 67.6 | Low | 107 Ų | 107 | 85.2 Ų | 85.2 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | trans | 12.5 | 119 | 172.6 | -166.4 | 0 | 0 | 0 | 0 | 117.8 | G691 K693 | S689-G691 PolarHBondContact O-N 2.86Å; S689-K693 VanDerWaalsContact O-CE 3.24Å; S689-K693 WeakPolarHBondContact O-CE 3.39Å; S689-K693 PolarHBondContact O-NZ 3.11Å; S689-K693 VanDerWaalsContact O-NZ 3.08Å | ||
| 690 | E | 53.5 | Low | 68.1 | Low | 182 Ų | 182 | 86.3 Ų | 86.3 | 85% | 0.85 | 46% | 0.464 | S | S | * | . | trans | -79.6 | 31.3 | -179.6 | -66.2 | 153.4 | 114.9 | 0 | 0 | 113.5 | ||||
| 691 | G | 50.8 | Low | 68.5 | Low | 50 Ų | 50 | 82.8 Ų | 82.8 | 52% | 0.515 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -88.9 | 109.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S689 K693 | S689-G691 PolarHBondContact O-N 2.86Å; G691-K693 PolarHBondContact O-N 3.37Å |
| 692 | S | 56.2 | Low | 69.3 | Low | 103 Ų | 103 | 83.3 Ų | 83.3 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 60.4 | 35.3 | 158.5 | -148.7 | 0 | 0 | 0 | 0 | 118.1 | ||
| 693 | K | 67.5 | Low | 70.2 | Confident | 73 Ų | 73 | 81.6 Ų | 81.6 | 32% | 0.317 | 45% | 0.446 | S | S | . | . | trans | -73.4 | -27.9 | 173.2 | -65.4 | 167.2 | -167 | 157.2 | 0 | 112.7 | G688 S689 G691 F695 Y696 Y697 | G688-K693 PolarHBondContact O-NZ 2.85Å; S689-K693 VanDerWaalsContact O-CE 3.24Å; S689-K693 WeakPolarHBondContact O-CE 3.39Å; S689-K693 PolarHBondContact O-NZ 3.11Å; S689-K693 VanDerWaalsContact O-NZ 3.08Å; G691-K693 PolarHBondContact O-N 3.37Å; K693-F695 VanDerWaalsContact C-N 3.33Å; K693-F695 PolarHBondContact O-N 3.24Å; K693-Y696 WeakPolarHBondContact O-CB 3.32Å; K693-Y696 PolarHBondContact O-N 3.22Å; K693-Y696 VanDerWaalsContact O-N 3.11Å; K693-Y697 HydrophobicContact CB-CD2 4.34Å; K693-Y697 HydrophobicContact CB-CE2 3.77Å; K693-Y697 PolarHBondContact O-N 3.11Å | ||
| 694 | H | 70.2 | Confident | 71.3 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 19% | 0.194 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -49.7 | -43.3 | 179.4 | -87 | -67.2 | 0 | 0 | 0 | 115.1 | E622 Y696 Y697 Y698 | E622-H694 WeakPolarHBondContact CG-NE2 3.46Å; E622-H694 IonicContact OE1-CD2 3.09Å; E622-H694 PolarHBondContact OE1-CD2 2.85Å; E622-H694 IonicContact OE1-CG 3.36Å; E622-H694 IonicContact OE1-NE2 2.77Å; H694-Y696 VanDerWaalsContact C-N 3.3Å; H694-Y696 PolarHBondContact O-N 3.36Å; H694-Y697 PolarHBondContact O-N 3.44Å; H694-Y698 WeakPolarHBondContact O-CD2 3.47Å; H694-Y698 PolarHBondContact O-N 3.5Å |
| 695 | F | 78.9 | Confident | 72.5 | Confident | 179 Ų | 179 | 79.9 Ų | 79.9 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | -178.7 | -177.7 | -99.9 | 0 | 0 | 0 | 112 | K693 G699 | K693-F695 VanDerWaalsContact C-N 3.33Å; K693-F695 PolarHBondContact O-N 3.24Å; F695-G699 PolarHBondContact O-N 3.1Å |
| 696 | Y | 83.3 | Confident | 74.1 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 175.7 | 179.8 | -100.4 | 0 | 0 | 0 | 111.7 | K693 H694 G699 I700 | K693-Y696 WeakPolarHBondContact O-CB 3.32Å; K693-Y696 PolarHBondContact O-N 3.22Å; K693-Y696 VanDerWaalsContact O-N 3.11Å; H694-Y696 VanDerWaalsContact C-N 3.3Å; H694-Y696 PolarHBondContact O-N 3.36Å; Y696-G699 PolarHBondContact O-N 3.21Å; Y696-I700 HydrophobicContact CD1-CD1 4.03Å; Y696-I700 HydrophobicContact CE1-CD1 3.45Å; Y696-I700 VanDerWaalsContact CE1-CD1 3.45Å; Y696-I700 HydrophobicContact CE2-CD1 4.27Å; Y696-I700 PolarHBondContact O-N 3.35Å |
| 697 | Y | 85.9 | Confident | 76 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.8 | -63.3 | -35.5 | 0 | 0 | 0 | 112.9 | I626 V674 K693 H694 I700 G701 | I626-Y697 HydrophobicContact CD1-CD2 4.27Å; I626-Y697 HydrophobicContact CD1-CE2 4.29Å; V674-Y697 HydrophobicContact CG1-CD1 3.8Å; V674-Y697 HydrophobicContact CG1-CG 3.89Å; K693-Y697 HydrophobicContact CB-CD2 4.34Å; K693-Y697 HydrophobicContact CB-CE2 3.77Å; K693-Y697 PolarHBondContact O-N 3.11Å; H694-Y697 PolarHBondContact O-N 3.44Å; Y697-I700 PolarHBondContact O-N 3.26Å; Y697-G701 PolarHBondContact O-N 2.87Å |
| 698 | Y | 87.8 | Confident | 78.3 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 174.8 | -88.6 | -102 | 0 | 0 | 0 | 112.3 | N629 W671 H694 I700 G701 W702 G703 | N629-Y698 PolarHBondContact ND2-OH 2.98Å; W671-Y698 AromaticContact CH2-CD2 4Å; W671-Y698 HydrophobicContact CH2-CD2 4Å; W671-Y698 HydrophobicContact CH2-CE2 4.11Å; W671-Y698 HydrophobicContact CH2-CG 4.25Å; W671-Y698 HydrophobicContact CZ2-CD1 4.34Å; W671-Y698 HydrophobicContact CZ2-CE1 4.5Å; W671-Y698 HydrophobicContact CZ2-CG 4.36Å; H694-Y698 WeakPolarHBondContact O-CD2 3.47Å; H694-Y698 PolarHBondContact O-N 3.5Å; Y698-I700 PolarHBondContact O-N 3.03Å; Y698-G701 PolarHBondContact O-N 3.44Å; Y698-W702 AromaticContact CD1-CD1 3.76Å; Y698-W702 PolarHBondContact O-N 2.98Å; Y698-G703 PolarHBondContact O-N 2.96Å |
| 699 | G | 87.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -61.6 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F695 Y696 G703 S704 | F695-G699 PolarHBondContact O-N 3.1Å; Y696-G699 PolarHBondContact O-N 3.21Å; G699-G703 CarbonylContact O-C 3.58Å; G699-G703 WeakPolarHBondContact O-CA 3.19Å; G699-G703 PolarHBondContact O-N 3.37Å; G699-G703 VanDerWaalsContact O-N 3.16Å; G699-S704 PolarHBondContact O-N 3.37Å; G699-S704 VanDerWaalsContact O-N 3.09Å |
| 700 | I | 89.7 | Confident | 82.4 | Confident | 30 Ų | 30 | 68 Ų | 68 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -70.6 | -58.4 | 171.3 | -67.6 | 174.6 | 0 | 0 | 0 | 110.3 | A670 V674 Y696 Y697 Y698 W702 S704 P705 | A670-I700 HydrophobicContact CB-CG2 4.47Å; V674-I700 HydrophobicContact CG2-CB 3.98Å; V674-I700 HydrophobicContact CG2-CG2 3.74Å; Y696-I700 HydrophobicContact CD1-CD1 4.03Å; Y696-I700 HydrophobicContact CE1-CD1 3.45Å; Y696-I700 VanDerWaalsContact CE1-CD1 3.45Å; Y696-I700 HydrophobicContact CE2-CD1 4.27Å; Y696-I700 PolarHBondContact O-N 3.35Å; Y697-I700 PolarHBondContact O-N 3.26Å; Y698-I700 PolarHBondContact O-N 3.03Å; I700-W702 PolarHBondContact O-N 3.3Å; I700-S704 PolarHBondContact O-N 3.29Å; I700-S704 PolarHBondContact O-OG 3.41Å; I700-P705 VanDerWaalsContact O-CD 3.22Å; I700-P705 WeakPolarHBondContact O-CD 3.42Å |
| 701 | G | 90.3 | Very high | 84 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -65.7 | -30.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W671 Y697 Y698 | W671-G701 PolarHBondContact NE1-O 2.75Å; Y697-G701 PolarHBondContact O-N 2.87Å; Y698-G701 PolarHBondContact O-N 3.44Å |
| 702 | W | 94.5 | Very high | 85.7 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 19% | 0.193 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -119.9 | -36.6 | 176.8 | -65.7 | 117.2 | 0 | 0 | 0 | 113.4 | N629 F632 A633 F663 F664 W671 Y698 I700 L706 | N629-W702 PolarHBondContact OD1-NE1 3.28Å; F632-W702 AromaticContact CD1-CH2 3.88Å; F632-W702 HydrophobicContact CD1-CH2 3.88Å; F632-W702 AromaticContact CD1-CZ2 3.96Å; F632-W702 HydrophobicContact CD1-CZ2 3.96Å; F632-W702 HydrophobicContact CE1-CH2 4.19Å; F632-W702 HydrophobicContact CE1-CZ2 4.45Å; A633-W702 HydrophobicContact CB-CH2 3.94Å; A633-W702 HydrophobicContact CB-CZ3 4.5Å; F663-W702 HydrophobicContact CE1-CE3 4.21Å; F663-W702 HydrophobicContact CE1-CZ3 4.1Å; F663-W702 AromaticContact CZ-CE3 3.71Å; F663-W702 HydrophobicContact CZ-CE3 3.71Å; F663-W702 HydrophobicContact CZ-CZ3 4.08Å; F664-W702 HydrophobicContact CD1-CH2 4.45Å; F664-W702 HydrophobicContact CD1-CZ3 4.2Å; F664-W702 HydrophobicContact CE1-CH2 4.17Å; F664-W702 AromaticContact CE1-CZ3 4Å; F664-W702 HydrophobicContact CE1-CZ3 4Å; W671-W702 AromaticContact CE2-CD1 3.93Å; W671-W702 AromaticContact CE2-NE1 3.66Å; W671-W702 AromaticContact CZ2-CD1 3.56Å; W671-W702 HydrophobicContact CZ2-CG 4.46Å; W671-W702 AromaticContact CZ2-NE1 3.48Å; W671-W702 AromaticContact NE1-CD1 3.66Å; W671-W702 AromaticContact NE1-CD2 3.65Å; W671-W702 AromaticContact NE1-CE2 3.32Å; W671-W702 VanDerWaalsContact NE1-CE2 3.32Å; W671-W702 AromaticContact NE1-CG 3.87Å; W671-W702 AromaticContact NE1-CZ2 3.78Å; W671-W702 AromaticContact NE1-NE1 3.31Å; Y698-W702 AromaticContact CD1-CD1 3.76Å; Y698-W702 PolarHBondContact O-N 2.98Å; I700-W702 PolarHBondContact O-N 3.3Å; W702-L706 WeakPolarHBondContact O-CB 3.42Å; W702-L706 PolarHBondContact O-N 3.46Å |
| 703 | G | 92.6 | Very high | 87.1 | Confident | 33 Ų | 33 | 56.7 Ų | 56.7 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -69.7 | -44.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y698 G699 L706 L707 | Y698-G703 PolarHBondContact O-N 2.96Å; G699-G703 CarbonylContact O-C 3.58Å; G699-G703 WeakPolarHBondContact O-CA 3.19Å; G699-G703 PolarHBondContact O-N 3.37Å; G699-G703 VanDerWaalsContact O-N 3.16Å; G703-L706 PolarHBondContact O-N 3.32Å; G703-L707 PolarHBondContact O-N 3.26Å; G703-L707 VanDerWaalsContact O-N 3.08Å |
| 704 | S | 92 | Very high | 87.9 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | -179.1 | 73.6 | 0 | 0 | 0 | 0 | 114.4 | G699 I700 L707 I708 | G699-S704 PolarHBondContact O-N 3.37Å; G699-S704 VanDerWaalsContact O-N 3.09Å; I700-S704 PolarHBondContact O-N 3.29Å; I700-S704 PolarHBondContact O-OG 3.41Å; S704-L707 PolarHBondContact O-N 3.19Å; S704-I708 WeakPolarHBondContact O-CD1 3.04Å; S704-I708 VanDerWaalsContact O-CG1 3.31Å; S704-I708 WeakPolarHBondContact O-CG1 3.34Å; S704-I708 PolarHBondContact O-N 2.95Å; S704-I708 VanDerWaalsContact O-N 3.11Å |
| 705 | P | 93.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57 | -46.7 | 167.2 | -23.7 | 31.1 | 0 | 0 | 0 | 112.9 | F663 L666 S667 A670 I700 L707 I708 C709 | F663-P705 HydrophobicContact CD2-CB 3.97Å; F663-P705 HydrophobicContact CE2-CB 3.98Å; L666-P705 HydrophobicContact CB-CB 3.88Å; L666-P705 HydrophobicContact CB-CG 4.44Å; S667-P705 WeakPolarHBondContact OG-CB 3.48Å; A670-P705 HydrophobicContact CB-CG 3.75Å; I700-P705 VanDerWaalsContact O-CD 3.22Å; I700-P705 WeakPolarHBondContact O-CD 3.42Å; P705-L707 VanDerWaalsContact C-N 3.33Å; P705-L707 PolarHBondContact O-N 2.92Å; P705-I708 PolarHBondContact O-N 2.99Å; P705-C709 WeakPolarHBondContact O-CB 3.33Å; P705-C709 PolarHBondContact O-N 2.9Å; P705-C709 PolarHBondContact O-SG 3.39Å |
| 706 | L | 93.4 | Very high | 88.3 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | -178.4 | -177.3 | 62 | 0 | 0 | 0 | 111.2 | F663 W702 G703 C709 V710 | F663-L706 HydrophobicContact CD2-CB 4.47Å; F663-L706 HydrophobicContact CE2-CB 3.88Å; F663-L706 HydrophobicContact CE2-CD1 4.28Å; W702-L706 WeakPolarHBondContact O-CB 3.42Å; W702-L706 PolarHBondContact O-N 3.46Å; G703-L706 PolarHBondContact O-N 3.32Å; L706-C709 PolarHBondContact O-N 3.45Å; L706-V710 HydrophobicContact CD1-CG2 4.17Å; L706-V710 HydrophobicContact CG-CG2 4.47Å; L706-V710 WeakPolarHBondContact O-CB 3.47Å; L706-V710 VanDerWaalsContact O-CG2 3.27Å; L706-V710 WeakPolarHBondContact O-CG2 3.25Å; L706-V710 PolarHBondContact O-N 3.34Å |
| 707 | L | 92.4 | Very high | 87.9 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 177.1 | -178.9 | 61.3 | 0 | 0 | 0 | 112.1 | G703 S704 P705 V710 V711 | G703-L707 PolarHBondContact O-N 3.26Å; G703-L707 VanDerWaalsContact O-N 3.08Å; S704-L707 PolarHBondContact O-N 3.19Å; P705-L707 VanDerWaalsContact C-N 3.33Å; P705-L707 PolarHBondContact O-N 2.92Å; L707-V710 PolarHBondContact O-N 3.32Å; L707-V711 HydrophobicContact CD1-CG2 4.25Å; L707-V711 WeakPolarHBondContact O-CB 3.36Å; L707-V711 WeakPolarHBondContact O-CG2 3.46Å; L707-V711 PolarHBondContact O-N 3.37Å |
| 708 | I | 90 | Very high | 87.1 | Confident | 57 Ų | 57 | 60 Ų | 60 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 178.2 | -66.9 | 164.1 | 0 | 0 | 0 | 110.5 | L666 S704 P705 S712 P741 | L666-I708 HydrophobicContact CD1-CB 4.12Å; L666-I708 HydrophobicContact CD1-CG2 3.61Å; S704-I708 WeakPolarHBondContact O-CD1 3.04Å; S704-I708 VanDerWaalsContact O-CG1 3.31Å; S704-I708 WeakPolarHBondContact O-CG1 3.34Å; S704-I708 PolarHBondContact O-N 2.95Å; S704-I708 VanDerWaalsContact O-N 3.11Å; P705-I708 PolarHBondContact O-N 2.99Å; I708-S712 WeakPolarHBondContact O-CB 3.33Å; I708-S712 PolarHBondContact O-N 3.24Å; I708-P741 HydrophobicContact CD1-CB 4.37Å; I708-P741 HydrophobicContact CD1-CG 4.08Å |
| 709 | C | 89.6 | Confident | 86.6 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.6 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | H662 F663 P705 L706 S712 A713 | H662-C709 PolarHBondContact ND1-SG 2.99Å; F663-C709 WeakPolarHBondContact CA-SG 3.04Å; F663-C709 HydrophobicContact CB-CB 4.41Å; P705-C709 WeakPolarHBondContact O-CB 3.33Å; P705-C709 PolarHBondContact O-N 2.9Å; P705-C709 PolarHBondContact O-SG 3.39Å; L706-C709 PolarHBondContact O-N 3.45Å; C709-S712 PolarHBondContact O-N 3.17Å; C709-A713 WeakPolarHBondContact O-CB 3.4Å; C709-A713 PolarHBondContact O-N 3Å |
| 710 | V | 90 | Very high | 86.2 | Confident | 79 Ų | 79 | 54 Ų | 54 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 111 | L706 L707 T714 | L706-V710 HydrophobicContact CD1-CG2 4.17Å; L706-V710 HydrophobicContact CG-CG2 4.47Å; L706-V710 WeakPolarHBondContact O-CB 3.47Å; L706-V710 VanDerWaalsContact O-CG2 3.27Å; L706-V710 WeakPolarHBondContact O-CG2 3.25Å; L706-V710 PolarHBondContact O-N 3.34Å; L707-V710 PolarHBondContact O-N 3.32Å; V710-T714 WeakPolarHBondContact O-CB 3.27Å; V710-T714 WeakPolarHBondContact O-CG2 3.41Å; V710-T714 PolarHBondContact O-N 3.33Å; V710-T714 PolarHBondContact O-OG1 2.88Å |
| 711 | V | 88.5 | Confident | 85.2 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L707 T714 S715 | L707-V711 HydrophobicContact CD1-CG2 4.25Å; L707-V711 WeakPolarHBondContact O-CB 3.36Å; L707-V711 WeakPolarHBondContact O-CG2 3.46Å; L707-V711 PolarHBondContact O-N 3.37Å; V711-T714 PolarHBondContact O-OG1 3.13Å; V711-S715 VanDerWaalsContact O-CB 3.3Å; V711-S715 WeakPolarHBondContact O-CB 3.47Å; V711-S715 PolarHBondContact O-N 2.86Å; V711-S715 PolarHBondContact O-OG 2.6Å |
| 712 | S | 86 | Confident | 84 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 179.8 | -169 | 0 | 0 | 0 | 0 | 111.9 | I708 C709 T714 S715 A716 Y720 A737 | I708-S712 WeakPolarHBondContact O-CB 3.33Å; I708-S712 PolarHBondContact O-N 3.24Å; C709-S712 PolarHBondContact O-N 3.17Å; S712-T714 PolarHBondContact O-N 3.48Å; S712-S715 PolarHBondContact O-N 3.03Å; S712-S715 PolarHBondContact O-OG 3.38Å; S712-A716 PolarHBondContact O-N 3.08Å; S712-Y720 WeakPolarHBondContact CB-OH 3.24Å; S712-Y720 PolarHBondContact OG-OH 3.45Å; S712-A737 WeakPolarHBondContact OG-CB 3.32Å |
| 713 | A | 84.7 | Confident | 82.3 | Confident | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | V659 C709 L717 Y720 | V659-A713 HydrophobicContact CG2-CB 4.48Å; C709-A713 WeakPolarHBondContact O-CB 3.4Å; C709-A713 PolarHBondContact O-N 3Å; A713-L717 HydrophobicContact CB-CD1 4.42Å; A713-L717 WeakPolarHBondContact O-CA 3.22Å; A713-L717 VanDerWaalsContact O-CB 3.31Å; A713-L717 WeakPolarHBondContact O-CB 3.12Å; A713-L717 PolarHBondContact O-N 2.84Å; A713-L717 VanDerWaalsContact O-N 3.12Å; A713-Y720 HydrophobicContact CB-CE2 4.42Å |
| 714 | T | 84.9 | Confident | 80.7 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.1 | -36 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | V710 V711 S712 | V710-T714 WeakPolarHBondContact O-CB 3.27Å; V710-T714 WeakPolarHBondContact O-CG2 3.41Å; V710-T714 PolarHBondContact O-N 3.33Å; V710-T714 PolarHBondContact O-OG1 2.88Å; V711-T714 PolarHBondContact O-OG1 3.13Å; S712-T714 PolarHBondContact O-N 3.48Å |
| 715 | S | 81.7 | Confident | 79.6 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -75 | -31.6 | 177.4 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | V711 S712 | V711-S715 VanDerWaalsContact O-CB 3.3Å; V711-S715 WeakPolarHBondContact O-CB 3.47Å; V711-S715 PolarHBondContact O-N 2.86Å; V711-S715 PolarHBondContact O-OG 2.6Å; S712-S715 PolarHBondContact O-N 3.03Å; S712-S715 PolarHBondContact O-OG 3.38Å |
| 716 | A | 74.9 | Confident | 79.1 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 21% | 0.207 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -143.3 | 37.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S712 K718 S719 Y720 | S712-A716 PolarHBondContact O-N 3.08Å; A716-K718 PolarHBondContact O-N 3.03Å; A716-S719 VanDerWaalsContact O-CB 3.31Å; A716-S719 WeakPolarHBondContact O-CB 3.44Å; A716-S719 PolarHBondContact O-N 3.25Å; A716-Y720 WeakPolarHBondContact O-CD2 3.28Å |
| 717 | L | 75.2 | Confident | 78.6 | Confident | 110 Ų | 110 | 63 Ų | 63 | 58% | 0.576 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -53.2 | -33.2 | -176.3 | -162 | 65.2 | 0 | 0 | 0 | 113.9 | A713 S719 Y720 | A713-L717 HydrophobicContact CB-CD1 4.42Å; A713-L717 WeakPolarHBondContact O-CA 3.22Å; A713-L717 VanDerWaalsContact O-CB 3.31Å; A713-L717 WeakPolarHBondContact O-CB 3.12Å; A713-L717 PolarHBondContact O-N 2.84Å; A713-L717 VanDerWaalsContact O-N 3.12Å; L717-S719 PolarHBondContact O-N 3.22Å; L717-Y720 PolarHBondContact O-N 3.49Å |
| 718 | K | 70.6 | Confident | 77.9 | Confident | 168 Ų | 168 | 57.6 Ų | 57.6 | 73% | 0.73 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -68.3 | -11.7 | 175.5 | -62.7 | -172.5 | 179.3 | -175.2 | 0 | 114.6 | A716 | A716-K718 PolarHBondContact O-N 3.03Š|
| 719 | S | 75.4 | Confident | 77 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -90.4 | -2.6 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 113.7 | A716 L717 S729 M732 A734 | A716-S719 VanDerWaalsContact O-CB 3.31Å; A716-S719 WeakPolarHBondContact O-CB 3.44Å; A716-S719 PolarHBondContact O-N 3.25Å; L717-S719 PolarHBondContact O-N 3.22Å; S719-S729 PolarHBondContact O-N 2.94Å; S719-M732 WeakPolarHBondContact OG-CE 3.3Å; S719-A734 VanDerWaalsContact CB-CB 3.46Å |
| 720 | Y | 79.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 123.9 | 177.4 | -72.2 | -92.7 | 0 | 0 | 0 | 110 | K655 A658 V659 H662 S712 A713 A716 L717 E722 L728 | K655-Y720 WeakPolarHBondContact CE-O 3.35Å; K655-Y720 VanDerWaalsContact CG-O 3.3Å; K655-Y720 WeakPolarHBondContact CG-O 3.39Å; A658-Y720 HydrophobicContact CB-CD1 4.02Å; V659-Y720 HydrophobicContact CG2-CD1 3.59Å; V659-Y720 HydrophobicContact CG2-CD2 4.46Å; V659-Y720 HydrophobicContact CG2-CE1 3.97Å; V659-Y720 HydrophobicContact CG2-CG 3.89Å; H662-Y720 HydrophobicContact CB-CE1 4.36Å; H662-Y720 PolarHBondContact CE1-OH 2.9Å; H662-Y720 VanDerWaalsContact CE1-OH 3.29Å; H662-Y720 AromaticContact ND1-CE1 3.89Å; H662-Y720 AromaticContact ND1-CZ 3.97Å; H662-Y720 PolarHBondContact ND1-OH 3.06Å; H662-Y720 VanDerWaalsContact ND1-OH 3.14Å; S712-Y720 WeakPolarHBondContact CB-OH 3.24Å; S712-Y720 PolarHBondContact OG-OH 3.45Å; A713-Y720 HydrophobicContact CB-CE2 4.42Å; A716-Y720 WeakPolarHBondContact O-CD2 3.28Å; L717-Y720 PolarHBondContact O-N 3.49Å; Y720-E722 VanDerWaalsContact C-N 3.29Å; Y720-E722 PolarHBondContact O-N 3.47Å; Y720-L728 HydrophobicContact CD1-CD1 4.03Å; Y720-L728 HydrophobicContact CD1-CG 4.14Å; Y720-L728 HydrophobicContact CE1-CD1 3.59Å; Y720-L728 HydrophobicContact CE1-CD2 4.27Å; Y720-L728 HydrophobicContact CE1-CG 3.68Å |
| 721 | G | 68.8 | Low | 74.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 67.8 | 15.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G650 W727 | G650-G721 WeakPolarHBondContact CA-O 3.45Å; G650-G721 PolarHBondContact N-O 2.85Å; G721-W727 PolarHBondContact N-O 3.49Å |
| 722 | E | 66.8 | Low | 72.6 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | trans | -82.2 | -28.6 | 179.5 | -145.6 | 74.3 | 174 | 0 | 0 | 113 | K655 Y720 | K655-E722 WeakPolarHBondContact CE-OE2 3.47Å; K655-E722 IonicContact NZ-OE1 3.59Å; K655-E722 IonicContact NZ-OE2 2.6Å; K655-E722 PolarHBondContact NZ-OE2 3.44Å; Y720-E722 VanDerWaalsContact C-N 3.29Å; Y720-E722 PolarHBondContact O-N 3.47Å | ||
| 723 | T | 58.6 | Low | 71.7 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 27% | 0.27 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -90.7 | 173.9 | -175.8 | 51 | 0 | 0 | 0 | 0 | 112.9 | P649 N725 | P649-T723 WeakPolarHBondContact CB-O 3.3Å; T723-N725 CarbonylContact O-C 3.56Å; T723-N725 PolarHBondContact O-N 3.13Å; T723-N725 VanDerWaalsContact O-O 3.12Å |
| 724 | V | 58.4 | Low | 71.1 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 72% | 0.721 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -44.5 | -24 | -175.6 | -164.5 | 0 | 0 | 0 | 0 | 116.4 | P649 | P649-V724 WeakPolarHBondContact CG-O 3.45Š|
| 725 | N | 68.9 | Low | 70.9 | Confident | 120 Ų | 120 | 61.4 Ų | 61.4 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -123.7 | 151.6 | 173.9 | -63.2 | -56.6 | 0 | 0 | 0 | 111.3 | T723 W727 | T723-N725 CarbonylContact O-C 3.56Å; T723-N725 PolarHBondContact O-N 3.13Å; T723-N725 VanDerWaalsContact O-O 3.12Å; N725-W727 PolarHBondContact O-N 2.89Å |
| 726 | C | 82.6 | Confident | 71 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -72.3 | 65.1 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | C654 | C654-C726 VanDerWaalsContact CA-SG 3.59Å; C654-C726 HydrophobicContact CB-CB 4.09Å; C654-C726 WeakPolarHBondContact CB-SG 3.44Å; C654-C726 WeakPolarHBondContact SG-CA 3.08Å; C654-C726 WeakPolarHBondContact SG-CB 3.33Å; C654-C726 CovalentContact SG-SG 2.03Å; C654-C726 PolarHBondContact SG-SG 2.66Å |
| 727 | W | 83.6 | Confident | 71.5 | Confident | 58 Ų | 58 | 65 Ų | 65 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -140.6 | -171.1 | -177.5 | -170.7 | -122.6 | 0 | 0 | 0 | 111.4 | L661 H662 F665 G721 N725 F738 | L661-W727 HydrophobicContact CB-CE3 4.31Å; L661-W727 HydrophobicContact CB-CZ3 3.85Å; L661-W727 HydrophobicContact CD2-CE3 3.84Å; L661-W727 HydrophobicContact CD2-CZ3 3.91Å; L661-W727 HydrophobicContact CG-CE3 4.09Å; L661-W727 HydrophobicContact CG-CZ3 3.63Å; H662-W727 HydrophobicContact CB-CZ3 4.39Å; F665-W727 HydrophobicContact CD2-CH2 4Å; F665-W727 HydrophobicContact CD2-CZ3 4.32Å; G721-W727 PolarHBondContact N-O 3.49Å; N725-W727 PolarHBondContact O-N 2.89Å; W727-F738 AromaticContact CZ2-CD1 3.91Å; W727-F738 HydrophobicContact CZ2-CD1 3.91Å; W727-F738 HydrophobicContact CZ2-CD2 4.48Å; W727-F738 AromaticContact CZ2-CE1 3.99Å; W727-F738 HydrophobicContact CZ2-CE1 3.99Å; W727-F738 HydrophobicContact CZ2-CG 4.16Å; W727-F738 HydrophobicContact CZ2-CZ 4.31Å |
| 728 | L | 78.2 | Confident | 72 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 135.5 | 172 | -75.1 | 70.5 | 0 | 0 | 0 | 110.2 | H662 Y720 I735 F738 | H662-L728 HydrophobicContact CB-CD1 3.92Å; Y720-L728 HydrophobicContact CD1-CD1 4.03Å; Y720-L728 HydrophobicContact CD1-CG 4.14Å; Y720-L728 HydrophobicContact CE1-CD1 3.59Å; Y720-L728 HydrophobicContact CE1-CD2 4.27Å; Y720-L728 HydrophobicContact CE1-CG 3.68Å; L728-I735 HydrophobicContact CB-CD1 4.24Å; L728-F738 HydrophobicContact CD2-CB 4.33Å |
| 729 | S | 69.8 | Low | 72.7 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | trans | -68.2 | 142.7 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | S719 E731 | S719-S729 PolarHBondContact O-N 2.94Å; S729-E731 PolarHBondContact OG-N 3.05Å | ||
| 730 | L | 62.9 | Low | 73.2 | Confident | 115 Ų | 115 | 55.9 Ų | 55.9 | 60% | 0.602 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -80 | -37.7 | 174.1 | -70.6 | 149.8 | 0 | 0 | 0 | 111.8 | M732 G733 I735 F802 | L730-M732 PolarHBondContact O-N 2.94Å; L730-G733 PolarHBondContact O-N 3.17Å; L730-G733 VanDerWaalsContact O-N 3.11Å; L730-I735 HydrophobicContact CD2-CB 4.45Å; L730-I735 HydrophobicContact CD2-CG1 4.2Å; L730-I735 HydrophobicContact CD2-CG2 4.23Å; L730-F802 HydrophobicContact CD2-CE1 4.46Å |
| 731 | E | 55.9 | Low | 73.7 | Confident | 138 Ų | 138 | 57.5 Ų | 57.5 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -34.5 | -166.5 | -63 | 179.8 | 147.6 | 0 | 0 | 113.5 | Q524 S729 G733 | Q524-E731 PolarHBondContact NE2-OE1 2.89Å; S729-E731 PolarHBondContact OG-N 3.05Å; E731-G733 VanDerWaalsContact C-N 3.34Å |
| 732 | M | 57.7 | Low | 74.5 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 11.3 | 178.2 | -72.4 | -179.2 | -84.5 | 0 | 0 | 113.4 | S719 L730 A734 | S719-M732 WeakPolarHBondContact OG-CE 3.3Å; L730-M732 PolarHBondContact O-N 2.94Å; M732-A734 PolarHBondContact O-N 2.84Å |
| 733 | G | 65.9 | Low | 75.5 | Confident | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 68.5 | -2.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | L730 E731 I735 W736 | L730-G733 PolarHBondContact O-N 3.17Å; L730-G733 VanDerWaalsContact O-N 3.11Å; E731-G733 VanDerWaalsContact C-N 3.34Å; G733-I735 PolarHBondContact O-N 3.49Å; G733-I735 VanDerWaalsContact O-N 3.07Å; G733-W736 WeakPolarHBondContact O-CB 3.45Å; G733-W736 PolarHBondContact O-N 3.39Å |
| 734 | A | 73.7 | Confident | 77 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S719 M732 W736 A737 | S719-A734 VanDerWaalsContact CB-CB 3.46Å; M732-A734 PolarHBondContact O-N 2.84Å; A734-W736 PolarHBondContact O-N 2.82Å; A734-W736 VanDerWaalsContact O-N 3.08Å; A734-A737 VanDerWaalsContact O-CB 3.29Å; A734-A737 WeakPolarHBondContact O-CB 3.31Å; A734-A737 PolarHBondContact O-N 3.41Å |
| 735 | I | 80.7 | Confident | 78.5 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -28.6 | 172.6 | -166.3 | 59.1 | 0 | 0 | 0 | 114 | L728 L730 G733 A737 F738 V739 | L728-I735 HydrophobicContact CB-CD1 4.24Å; L730-I735 HydrophobicContact CD2-CB 4.45Å; L730-I735 HydrophobicContact CD2-CG1 4.2Å; L730-I735 HydrophobicContact CD2-CG2 4.23Å; G733-I735 PolarHBondContact O-N 3.49Å; G733-I735 VanDerWaalsContact O-N 3.07Å; I735-A737 PolarHBondContact O-N 3.06Å; I735-F738 HydrophobicContact CD1-CD1 4.44Å; I735-F738 WeakPolarHBondContact O-CB 3.35Å; I735-F738 PolarHBondContact O-N 3.39Å; I735-V739 HydrophobicContact CD1-CG2 4.47Å; I735-V739 HydrophobicContact CG1-CG2 3.97Å; I735-V739 WeakPolarHBondContact O-CG2 3.19Å; I735-V739 PolarHBondContact O-N 2.88Å |
| 736 | W | 83.1 | Confident | 79.4 | Confident | 163 Ų | 163 | 48.3 Ų | 48.3 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.5 | -23.9 | 177 | -79.6 | 103.4 | 0 | 0 | 0 | 113.8 | G733 A734 F738 V739 A740 L743 | G733-W736 WeakPolarHBondContact O-CB 3.45Å; G733-W736 PolarHBondContact O-N 3.39Å; A734-W736 PolarHBondContact O-N 2.82Å; A734-W736 VanDerWaalsContact O-N 3.08Å; W736-F738 PolarHBondContact O-N 3.07Å; W736-V739 HydrophobicContact CE3-CB 4.42Å; W736-V739 HydrophobicContact CE3-CG1 4.28Å; W736-V739 HydrophobicContact CZ3-CG1 4.23Å; W736-V739 PolarHBondContact O-N 2.93Å; W736-A740 HydrophobicContact CE3-CB 4.26Å; W736-A740 WeakPolarHBondContact O-CB 3.29Å; W736-A740 PolarHBondContact O-N 2.9Å; W736-L743 HydrophobicContact CZ3-CD1 4.44Å |
| 737 | A | 85.5 | Confident | 79.7 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -24.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S712 A734 I735 P741 | S712-A737 WeakPolarHBondContact OG-CB 3.32Å; A734-A737 VanDerWaalsContact O-CB 3.29Å; A734-A737 WeakPolarHBondContact O-CB 3.31Å; A734-A737 PolarHBondContact O-N 3.41Å; I735-A737 PolarHBondContact O-N 3.06Å; A737-P741 WeakPolarHBondContact O-CD 3.49Å; A737-P741 WeakPolarHBondContact O-CG 3.48Å |
| 738 | F | 86.1 | Confident | 80 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -93.3 | -48.6 | 172.4 | 173.3 | -113.2 | 0 | 0 | 0 | 112.1 | F665 L666 F669 W727 L728 I735 W736 P741 A742 W795 | F665-F738 HydrophobicContact CB-CE2 3.73Å; F665-F738 HydrophobicContact CB-CZ 4.24Å; L666-F738 HydrophobicContact CD2-CD2 3.82Å; L666-F738 HydrophobicContact CD2-CE2 4.33Å; L666-F738 HydrophobicContact CG-CD2 4.05Å; F669-F738 HydrophobicContact CD2-CE2 4.24Å; F669-F738 AromaticContact CE2-CE2 3.83Å; F669-F738 HydrophobicContact CE2-CE2 3.83Å; F669-F738 AromaticContact CE2-CZ 3.79Å; F669-F738 HydrophobicContact CE2-CZ 3.79Å; W727-F738 AromaticContact CZ2-CD1 3.91Å; W727-F738 HydrophobicContact CZ2-CD1 3.91Å; W727-F738 HydrophobicContact CZ2-CD2 4.48Å; W727-F738 AromaticContact CZ2-CE1 3.99Å; W727-F738 HydrophobicContact CZ2-CE1 3.99Å; W727-F738 HydrophobicContact CZ2-CG 4.16Å; W727-F738 HydrophobicContact CZ2-CZ 4.31Å; L728-F738 HydrophobicContact CD2-CB 4.33Å; I735-F738 HydrophobicContact CD1-CD1 4.44Å; I735-F738 WeakPolarHBondContact O-CB 3.35Å; I735-F738 PolarHBondContact O-N 3.39Å; W736-F738 PolarHBondContact O-N 3.07Å; F738-P741 WeakPolarHBondContact O-CD 3.42Å; F738-A742 WeakPolarHBondContact O-CB 3.45Å; F738-A742 PolarHBondContact O-N 3.4Å; F738-W795 HydrophobicContact CE1-CZ3 4.36Å; F738-W795 HydrophobicContact CZ-CH2 4.36Å; F738-W795 AromaticContact CZ-CZ3 3.99Å; F738-W795 HydrophobicContact CZ-CZ3 3.99Å |
| 739 | V | 85.4 | Confident | 80.5 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -40.2 | -170.8 | 172.9 | 0 | 0 | 0 | 0 | 112.9 | I735 W736 A742 L743 | I735-V739 HydrophobicContact CD1-CG2 4.47Å; I735-V739 HydrophobicContact CG1-CG2 3.97Å; I735-V739 WeakPolarHBondContact O-CG2 3.19Å; I735-V739 PolarHBondContact O-N 2.88Å; W736-V739 HydrophobicContact CE3-CB 4.42Å; W736-V739 HydrophobicContact CE3-CG1 4.28Å; W736-V739 HydrophobicContact CZ3-CG1 4.23Å; W736-V739 PolarHBondContact O-N 2.93Å; V739-A742 PolarHBondContact O-N 2.68Å; V739-L743 HydrophobicContact CG1-CD1 3.75Å; V739-L743 HydrophobicContact CG1-CG 4.17Å; V739-L743 WeakPolarHBondContact O-CB 3.28Å; V739-L743 WeakPolarHBondContact O-CG 3.44Å; V739-L743 PolarHBondContact O-N 3.22Å |
| 740 | A | 86 | Confident | 81.4 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 40% | 0.397 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.9 | -45.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W736 A742 L743 F744 | W736-A740 HydrophobicContact CE3-CB 4.26Å; W736-A740 WeakPolarHBondContact O-CB 3.29Å; W736-A740 PolarHBondContact O-N 2.9Å; A740-A742 PolarHBondContact O-N 3.43Å; A740-L743 PolarHBondContact O-N 3.31Å; A740-F744 PolarHBondContact O-N 3.48Å |
| 741 | P | 88.4 | Confident | 82.5 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 171 | -27.4 | 36.6 | 0 | 0 | 0 | 113.8 | L666 I708 A737 F738 F744 V745 | L666-P741 HydrophobicContact CD2-CB 3.89Å; L666-P741 HydrophobicContact CD2-CG 4.4Å; I708-P741 HydrophobicContact CD1-CB 4.37Å; I708-P741 HydrophobicContact CD1-CG 4.08Å; A737-P741 WeakPolarHBondContact O-CD 3.49Å; A737-P741 WeakPolarHBondContact O-CG 3.48Å; F738-P741 WeakPolarHBondContact O-CD 3.42Å; P741-F744 PolarHBondContact O-N 2.77Å; P741-V745 WeakPolarHBondContact O-CG2 3.36Å; P741-V745 PolarHBondContact O-N 3.42Å |
| 742 | A | 87.3 | Confident | 83.9 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F669 F738 V739 A740 F744 V745 I746 | F669-A742 HydrophobicContact CD2-CB 3.99Å; F669-A742 HydrophobicContact CE1-CB 4.18Å; F669-A742 HydrophobicContact CE2-CB 3.62Å; F669-A742 HydrophobicContact CG-CB 4.41Å; F669-A742 HydrophobicContact CZ-CB 3.72Å; F738-A742 WeakPolarHBondContact O-CB 3.45Å; F738-A742 PolarHBondContact O-N 3.4Å; V739-A742 PolarHBondContact O-N 2.68Å; A740-A742 PolarHBondContact O-N 3.43Å; A742-F744 VanDerWaalsContact C-N 3.33Å; A742-F744 PolarHBondContact O-N 3.41Å; A742-V745 PolarHBondContact O-N 3.41Å; A742-I746 WeakPolarHBondContact O-CD1 3.39Å; A742-I746 VanDerWaalsContact O-CG1 3.24Å; A742-I746 WeakPolarHBondContact O-CG1 3.42Å; A742-I746 PolarHBondContact O-N 3.14Å |
| 743 | L | 87.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.2 | -43 | 174.8 | -77.2 | 172.3 | 0 | 0 | 0 | 112.4 | W736 V739 A740 I746 V747 V799 | W736-L743 HydrophobicContact CZ3-CD1 4.44Å; V739-L743 HydrophobicContact CG1-CD1 3.75Å; V739-L743 HydrophobicContact CG1-CG 4.17Å; V739-L743 WeakPolarHBondContact O-CB 3.28Å; V739-L743 WeakPolarHBondContact O-CG 3.44Å; V739-L743 PolarHBondContact O-N 3.22Å; A740-L743 PolarHBondContact O-N 3.31Å; L743-I746 PolarHBondContact O-N 3.1Å; L743-V747 WeakPolarHBondContact O-CG2 3.34Å; L743-V747 PolarHBondContact O-N 3.26Å; L743-V799 HydrophobicContact CD2-CG1 4.24Å; L743-V799 HydrophobicContact CD2-CG2 3.84Å |
| 744 | F | 89.9 | Confident | 86.1 | Confident | 104 Ų | 104 | 41.9 Ų | 41.9 | 46% | 0.456 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 176.6 | 172.3 | -102.3 | 0 | 0 | 0 | 112 | L28 A740 P741 A742 I746 V747 V748 | L28-F744 HydrophobicContact CD2-CE2 3.75Å; L28-F744 HydrophobicContact CD2-CZ 4.47Å; A740-F744 PolarHBondContact O-N 3.48Å; P741-F744 PolarHBondContact O-N 2.77Å; A742-F744 VanDerWaalsContact C-N 3.33Å; A742-F744 PolarHBondContact O-N 3.41Å; F744-I746 PolarHBondContact O-N 3.09Å; F744-V747 PolarHBondContact O-N 3.36Å; F744-V748 HydrophobicContact CD2-CG2 4.37Å; F744-V748 HydrophobicContact CE1-CG2 4.38Å; F744-V748 HydrophobicContact CE2-CG2 3.93Å; F744-V748 HydrophobicContact CZ-CG2 3.94Å; F744-V748 WeakPolarHBondContact O-CG2 3.37Å; F744-V748 PolarHBondContact O-N 3.38Å; F744-V748 VanDerWaalsContact O-N 3.09Å |
| 745 | V | 90 | Very high | 86.5 | Confident | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.8 | 166.3 | 0 | 0 | 0 | 0 | 111.4 | F669 L673 P741 A742 V747 V748 N749 | F669-V745 HydrophobicContact CB-CB 4.45Å; F669-V745 HydrophobicContact CB-CG1 4.26Å; F669-V745 HydrophobicContact CB-CG2 4.27Å; F669-V745 HydrophobicContact CD1-CG1 4.14Å; F669-V745 WeakPolarHBondContact O-CG1 3.07Å; L673-V745 HydrophobicContact CB-CG1 4.13Å; L673-V745 HydrophobicContact CB-CG2 4.19Å; L673-V745 HydrophobicContact CD2-CG2 4.24Å; P741-V745 WeakPolarHBondContact O-CG2 3.36Å; P741-V745 PolarHBondContact O-N 3.42Å; A742-V745 PolarHBondContact O-N 3.41Å; V745-V747 PolarHBondContact O-N 3.1Å; V745-V748 PolarHBondContact O-N 2.91Å; V745-N749 WeakPolarHBondContact O-CB 3.18Å; V745-N749 PolarHBondContact O-N 3.21Å |
| 746 | I | 88 | Confident | 86.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 179.6 | -70.7 | 163.3 | 0 | 0 | 0 | 110.9 | F669 A742 L743 F744 V748 N749 I750 W795 I796 | F669-I746 HydrophobicContact CE1-CD1 4.44Å; F669-I746 HydrophobicContact CE1-CG1 4.47Å; A742-I746 WeakPolarHBondContact O-CD1 3.39Å; A742-I746 VanDerWaalsContact O-CG1 3.24Å; A742-I746 WeakPolarHBondContact O-CG1 3.42Å; A742-I746 PolarHBondContact O-N 3.14Å; L743-I746 PolarHBondContact O-N 3.1Å; F744-I746 PolarHBondContact O-N 3.09Å; I746-V748 PolarHBondContact O-N 3.24Å; I746-N749 PolarHBondContact O-N 3.14Å; I746-I750 HydrophobicContact CG2-CD1 3.93Å; I746-I750 VanDerWaalsContact O-CG1 3.25Å; I746-I750 WeakPolarHBondContact O-CG1 3.25Å; I746-I750 PolarHBondContact O-N 2.95Å; I746-W795 HydrophobicContact CD1-CB 3.71Å; I746-I796 HydrophobicContact CG2-CD1 3.97Å; I746-I796 HydrophobicContact CG2-CG1 3.55Å |
| 747 | V | 89.6 | Confident | 86.1 | Confident | 98 Ų | 98 | 36.2 Ų | 36.2 | 59% | 0.594 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.8 | -42.7 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | L743 F744 V745 I750 G751 | L743-V747 WeakPolarHBondContact O-CG2 3.34Å; L743-V747 PolarHBondContact O-N 3.26Å; F744-V747 PolarHBondContact O-N 3.36Å; V745-V747 PolarHBondContact O-N 3.1Å; V747-I750 PolarHBondContact O-N 3.34Å; V747-G751 PolarHBondContact O-N 3.01Å; V747-G751 VanDerWaalsContact O-N 3.13Å |
| 748 | V | 89.2 | Confident | 85.9 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L673 F744 V745 I746 I750 G751 I752 | L673-V748 HydrophobicContact CD1-CB 4.09Å; L673-V748 HydrophobicContact CD1-CG1 3.57Å; F744-V748 HydrophobicContact CD2-CG2 4.37Å; F744-V748 HydrophobicContact CE1-CG2 4.38Å; F744-V748 HydrophobicContact CE2-CG2 3.93Å; F744-V748 HydrophobicContact CZ-CG2 3.94Å; F744-V748 WeakPolarHBondContact O-CG2 3.37Å; F744-V748 PolarHBondContact O-N 3.38Å; F744-V748 VanDerWaalsContact O-N 3.09Å; V745-V748 PolarHBondContact O-N 2.91Å; I746-V748 PolarHBondContact O-N 3.24Å; V748-I750 PolarHBondContact O-N 3.15Å; V748-G751 PolarHBondContact O-N 3.42Å; V748-G751 VanDerWaalsContact O-N 3.16Å; V748-I752 HydrophobicContact CG1-CD1 3.88Å; V748-I752 HydrophobicContact CG1-CG1 4.49Å; V748-I752 WeakPolarHBondContact O-CG1 3.46Å; V748-I752 PolarHBondContact O-N 3.36Å |
| 749 | N | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 178.1 | -84.5 | 5.1 | 0 | 0 | 0 | 113 | M672 V745 I746 I752 L753 L791 | M672-N749 PolarHBondContact O-ND2 2.97Å; M672-N749 VanDerWaalsContact O-ND2 3.09Å; V745-N749 WeakPolarHBondContact O-CB 3.18Å; V745-N749 PolarHBondContact O-N 3.21Å; I746-N749 PolarHBondContact O-N 3.14Å; N749-I752 PolarHBondContact O-N 3.36Å; N749-L753 WeakPolarHBondContact O-CB 3.43Å; N749-L753 PolarHBondContact O-N 3.24Å; N749-L791 HydrophobicContact CB-CB 4.38Å; N749-L791 PolarHBondContact ND2-O 2.69Å |
| 750 | I | 87.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 168.8 | -65.8 | 160.5 | 0 | 0 | 0 | 110.5 | I746 V747 V748 I752 L753 I754 I793 I796 | I746-I750 HydrophobicContact CG2-CD1 3.93Å; I746-I750 VanDerWaalsContact O-CG1 3.25Å; I746-I750 WeakPolarHBondContact O-CG1 3.25Å; I746-I750 PolarHBondContact O-N 2.95Å; V747-I750 PolarHBondContact O-N 3.34Å; V748-I750 PolarHBondContact O-N 3.15Å; I750-I752 VanDerWaalsContact C-N 3.31Å; I750-I752 PolarHBondContact O-N 3.06Å; I750-L753 PolarHBondContact O-N 2.95Å; I750-I754 HydrophobicContact CG2-CD1 3.73Å; I750-I754 HydrophobicContact CG2-CG1 4.36Å; I750-I754 WeakPolarHBondContact O-CG1 3.45Å; I750-I754 PolarHBondContact O-N 3.28Å; I750-I793 HydrophobicContact CG1-CD1 4.23Å; I750-I793 HydrophobicContact CG1-CG1 4.26Å; I750-I793 HydrophobicContact CG1-CG2 4.35Å; I750-I796 HydrophobicContact CD1-CD1 3.86Å |
| 751 | G | 87.2 | Confident | 84.2 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V747 V748 S755 | V747-G751 PolarHBondContact O-N 3.01Å; V747-G751 VanDerWaalsContact O-N 3.13Å; V748-G751 PolarHBondContact O-N 3.42Å; V748-G751 VanDerWaalsContact O-N 3.16Å; G751-S755 WeakPolarHBondContact O-CB 3.44Å; G751-S755 PolarHBondContact O-N 3.11Å; G751-S755 VanDerWaalsContact O-N 3.07Å; G751-S755 PolarHBondContact O-OG 3.22Å |
| 752 | I | 85.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -50.2 | 171.7 | -73.8 | 167.6 | 0 | 0 | 0 | 110.7 | G676 L677 V748 N749 I750 I754 S755 V756 | G676-I752 WeakPolarHBondContact O-CG2 3.33Å; L677-I752 HydrophobicContact CD2-CD1 4.05Å; L677-I752 HydrophobicContact CG-CD1 4.32Å; V748-I752 HydrophobicContact CG1-CD1 3.88Å; V748-I752 HydrophobicContact CG1-CG1 4.49Å; V748-I752 WeakPolarHBondContact O-CG1 3.46Å; V748-I752 PolarHBondContact O-N 3.36Å; N749-I752 PolarHBondContact O-N 3.36Å; I750-I752 VanDerWaalsContact C-N 3.31Å; I750-I752 PolarHBondContact O-N 3.06Å; I752-I754 VanDerWaalsContact C-N 3.34Å; I752-I754 PolarHBondContact O-N 2.89Å; I752-S755 WeakPolarHBondContact O-CB 3.41Å; I752-S755 PolarHBondContact O-N 3.49Å; I752-V756 HydrophobicContact CG2-CG2 4.32Å; I752-V756 WeakPolarHBondContact O-CG2 3.19Å; I752-V756 PolarHBondContact O-N 2.9Å |
| 753 | L | 83.5 | Confident | 82.7 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | -179.1 | -177.1 | 61.4 | 0 | 0 | 0 | 111.8 | N749 I750 S755 T757 V784 L787 L788 L791 I793 | N749-L753 WeakPolarHBondContact O-CB 3.43Å; N749-L753 PolarHBondContact O-N 3.24Å; I750-L753 PolarHBondContact O-N 2.95Å; L753-S755 VanDerWaalsContact C-N 3.33Å; L753-S755 PolarHBondContact O-N 3.08Å; L753-T757 WeakPolarHBondContact O-CB 3.16Å; L753-T757 PolarHBondContact O-N 3.45Å; L753-T757 PolarHBondContact O-OG1 3.33Å; L753-V784 HydrophobicContact CD1-CG1 4.33Å; L753-V784 HydrophobicContact CD2-CG1 4.41Å; L753-L787 HydrophobicContact CD1-CB 4.34Å; L753-L787 HydrophobicContact CD1-CD1 4.37Å; L753-L788 HydrophobicContact CD2-CD2 3.48Å; L753-L788 VanDerWaalsContact CD2-CD2 3.48Å; L753-L788 HydrophobicContact CD2-CG 4.06Å; L753-L791 HydrophobicContact CB-CD1 4.12Å; L753-L791 HydrophobicContact CD1-CD1 4.09Å; L753-L791 HydrophobicContact CG-CD1 4.47Å; L753-I793 HydrophobicContact CB-CD1 4.32Å; L753-I793 HydrophobicContact CD2-CD1 3.67Å |
| 754 | I | 84.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.3 | -69.1 | 168.1 | 0 | 0 | 0 | 110.7 | I750 I752 R758 | I750-I754 HydrophobicContact CG2-CD1 3.73Å; I750-I754 HydrophobicContact CG2-CG1 4.36Å; I750-I754 WeakPolarHBondContact O-CG1 3.45Å; I750-I754 PolarHBondContact O-N 3.28Å; I752-I754 VanDerWaalsContact C-N 3.34Å; I752-I754 PolarHBondContact O-N 2.89Å; I754-R758 WeakPolarHBondContact O-CB 3.28Å; I754-R758 VanDerWaalsContact O-CG 3.27Å; I754-R758 WeakPolarHBondContact O-CG 3.42Å; I754-R758 PolarHBondContact O-N 3.1Å |
| 755 | S | 83.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66 | -48.4 | 179.8 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | G751 I752 L753 R758 I759 | G751-S755 WeakPolarHBondContact O-CB 3.44Å; G751-S755 PolarHBondContact O-N 3.11Å; G751-S755 VanDerWaalsContact O-N 3.07Å; G751-S755 PolarHBondContact O-OG 3.22Å; I752-S755 WeakPolarHBondContact O-CB 3.41Å; I752-S755 PolarHBondContact O-N 3.49Å; L753-S755 VanDerWaalsContact C-N 3.33Å; L753-S755 PolarHBondContact O-N 3.08Å; S755-R758 PolarHBondContact O-N 2.88Å; S755-I759 WeakPolarHBondContact O-CG1 3.48Å; S755-I759 PolarHBondContact O-N 3.1Å |
| 756 | V | 78.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.6 | 171 | 0 | 0 | 0 | 0 | 110.5 | L679 V683 I752 R758 I759 I760 | L679-V756 HydrophobicContact CD2-CG1 4.36Å; L679-V756 HydrophobicContact CD2-CG2 4.3Å; L679-V756 HydrophobicContact CG-CG1 4.45Å; L679-V756 HydrophobicContact CG-CG2 4.19Å; V683-V756 HydrophobicContact CB-CG2 4.48Å; V683-V756 HydrophobicContact CG2-CG1 4.3Å; I752-V756 HydrophobicContact CG2-CG2 4.32Å; I752-V756 WeakPolarHBondContact O-CG2 3.19Å; I752-V756 PolarHBondContact O-N 2.9Å; V756-R758 PolarHBondContact O-N 2.89Å; V756-I759 PolarHBondContact O-N 2.89Å; V756-I759 VanDerWaalsContact O-N 3.15Å; V756-I760 HydrophobicContact CG1-CD1 3.62Å; V756-I760 HydrophobicContact CG1-CG1 4.24Å; V756-I760 WeakPolarHBondContact O-CG1 3.43Å; V756-I760 PolarHBondContact O-N 2.91Å |
| 757 | T | 77 | Confident | 77.5 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.202 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L753 I759 I760 S761 V784 | L753-T757 WeakPolarHBondContact O-CB 3.16Å; L753-T757 PolarHBondContact O-N 3.45Å; L753-T757 PolarHBondContact O-OG1 3.33Å; T757-I759 VanDerWaalsContact C-N 3.29Å; T757-I759 PolarHBondContact O-N 3.4Å; T757-I760 PolarHBondContact O-N 3.43Å; T757-S761 VanDerWaalsContact O-CB 3.22Å; T757-S761 WeakPolarHBondContact O-CB 3.38Å; T757-S761 PolarHBondContact O-N 3.41Å; T757-S761 PolarHBondContact O-OG 2.82Å; T757-V784 HydrophobicContact CG2-CG2 3.9Å; T757-V784 WeakPolarHBondContact OG1-CG2 3.35Å |
| 758 | R | 81.4 | Confident | 75.9 | Confident | 185 Ų | 185 | 60.8 Ų | 60.8 | 70% | 0.698 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.6 | -39.2 | 175.7 | -78.5 | 172.6 | 176.5 | -179.6 | -0.2 | 112.5 | I754 S755 V756 R762 | I754-R758 WeakPolarHBondContact O-CB 3.28Å; I754-R758 VanDerWaalsContact O-CG 3.27Å; I754-R758 WeakPolarHBondContact O-CG 3.42Å; I754-R758 PolarHBondContact O-N 3.1Å; S755-R758 PolarHBondContact O-N 2.88Å; V756-R758 PolarHBondContact O-N 2.89Å; R758-R762 WeakPolarHBondContact O-CB 3.28Å; R758-R762 PolarHBondContact O-N 3.33Å |
| 759 | I | 77.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.4 | -45.5 | -179.4 | -66.1 | 168.9 | 0 | 0 | 0 | 111 | V683 V684 S755 V756 T757 S761 R762 I763 | V683-I759 HydrophobicContact CG1-CB 4.02Å; V683-I759 HydrophobicContact CG1-CD1 4.17Å; V683-I759 HydrophobicContact CG1-CG2 3.65Å; V684-I759 HydrophobicContact CG2-CD1 3.56Å; S755-I759 WeakPolarHBondContact O-CG1 3.48Å; S755-I759 PolarHBondContact O-N 3.1Å; V756-I759 PolarHBondContact O-N 2.89Å; V756-I759 VanDerWaalsContact O-N 3.15Å; T757-I759 VanDerWaalsContact C-N 3.29Å; T757-I759 PolarHBondContact O-N 3.4Å; I759-S761 VanDerWaalsContact C-N 3.34Å; I759-S761 PolarHBondContact O-N 3.2Å; I759-R762 WeakPolarHBondContact O-CB 3.31Å; I759-R762 PolarHBondContact O-N 3.4Å; I759-R762 VanDerWaalsContact O-N 3.15Å; I759-I763 HydrophobicContact CG2-CD1 3.87Å; I759-I763 WeakPolarHBondContact O-CG1 3.44Å; I759-I763 PolarHBondContact O-N 3.3Å |
| 760 | I | 71.9 | Confident | 72.5 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 174.1 | -63.9 | 173.7 | 0 | 0 | 0 | 110.3 | V756 T757 R762 I763 S764 T780 V896 | V756-I760 HydrophobicContact CG1-CD1 3.62Å; V756-I760 HydrophobicContact CG1-CG1 4.24Å; V756-I760 WeakPolarHBondContact O-CG1 3.43Å; V756-I760 PolarHBondContact O-N 2.91Å; T757-I760 PolarHBondContact O-N 3.43Å; I760-R762 VanDerWaalsContact C-N 3.31Å; I760-R762 PolarHBondContact O-N 3.31Å; I760-I763 PolarHBondContact O-N 2.85Å; I760-S764 WeakPolarHBondContact O-CB 3.42Å; I760-S764 PolarHBondContact O-N 3.23Å; I760-T780 HydrophobicContact CG2-CG2 3.8Å; I760-V896 HydrophobicContact CD1-CG1 4.49Å; I760-V896 HydrophobicContact CD1-CG2 4.04Å |
| 761 | S | 71.9 | Confident | 70.9 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 174.7 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | T757 I759 G765 | T757-S761 VanDerWaalsContact O-CB 3.22Å; T757-S761 WeakPolarHBondContact O-CB 3.38Å; T757-S761 PolarHBondContact O-N 3.41Å; T757-S761 PolarHBondContact O-OG 2.82Å; I759-S761 VanDerWaalsContact C-N 3.34Å; I759-S761 PolarHBondContact O-N 3.2Å; S761-G765 PolarHBondContact O-N 3.1Å |
| 762 | R | 74.3 | Confident | 69.2 | Low | 172 Ų | 172 | 78 Ų | 78 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.1 | -51.1 | 173.6 | 178.5 | 178.5 | 172.6 | 170.2 | -0.5 | 111.6 | R758 I759 I760 S764 G765 E766 | R758-R762 WeakPolarHBondContact O-CB 3.28Å; R758-R762 PolarHBondContact O-N 3.33Å; I759-R762 WeakPolarHBondContact O-CB 3.31Å; I759-R762 PolarHBondContact O-N 3.4Å; I759-R762 VanDerWaalsContact O-N 3.15Å; I760-R762 VanDerWaalsContact C-N 3.31Å; I760-R762 PolarHBondContact O-N 3.31Å; R762-S764 VanDerWaalsContact C-N 3.29Å; R762-S764 PolarHBondContact O-N 3.13Å; R762-G765 PolarHBondContact O-N 3.25Å; R762-G765 VanDerWaalsContact O-N 3.15Å; R762-E766 IonicContact CZ-OE1 3.87Å; R762-E766 IonicContact NE-OE1 2.83Å; R762-E766 PolarHBondContact NE-OE1 3.49Å; R762-E766 IonicContact NH2-OE1 2.79Å; R762-E766 PolarHBondContact NH2-OE1 2.83Å; R762-E766 WeakPolarHBondContact O-CG 3.05Å; R762-E766 PolarHBondContact O-N 2.89Å |
| 763 | I | 69.2 | Low | 67.9 | Low | 88 Ų | 88 | 81 Ų | 81 | 45% | 0.451 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 178.8 | -64.8 | 164.7 | 0 | 0 | 0 | 110.4 | I759 I760 E766 N767 | I759-I763 HydrophobicContact CG2-CD1 3.87Å; I759-I763 WeakPolarHBondContact O-CG1 3.44Å; I759-I763 PolarHBondContact O-N 3.3Å; I760-I763 PolarHBondContact O-N 2.85Å; I763-E766 PolarHBondContact O-N 3.02Å; I763-N767 PolarHBondContact O-N 3.05Å; I763-N767 PolarHBondContact O-ND2 3.48Å |
| 764 | S | 64.9 | Low | 66.5 | Low | 20 Ų | 20 | 84 Ų | 84 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 174.8 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | I760 R762 N767 Y768 T780 | I760-S764 WeakPolarHBondContact O-CB 3.42Å; I760-S764 PolarHBondContact O-N 3.23Å; R762-S764 VanDerWaalsContact C-N 3.29Å; R762-S764 PolarHBondContact O-N 3.13Å; S764-N767 PolarHBondContact O-N 3.15Å; S764-Y768 VanDerWaalsContact O-CB 3.28Å; S764-Y768 WeakPolarHBondContact O-CB 3.31Å; S764-Y768 PolarHBondContact O-N 3.47Å; S764-T780 PolarHBondContact OG-OG1 3.4Å |
| 765 | G | 63 | Low | 65.3 | Low | 33 Ų | 33 | 84 Ų | 84 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.3 | -35.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S761 R762 K769 | S761-G765 PolarHBondContact O-N 3.1Å; R762-G765 PolarHBondContact O-N 3.25Å; R762-G765 VanDerWaalsContact O-N 3.15Å; G765-K769 PolarHBondContact O-N 2.88Å |
| 766 | E | 63.7 | Low | 64 | Low | 96 Ų | 96 | 83.5 Ų | 83.5 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 172.7 | -73.4 | 167.1 | 179.9 | 0 | 0 | 110.8 | R762 I763 | R762-E766 IonicContact CZ-OE1 3.87Å; R762-E766 IonicContact NE-OE1 2.83Å; R762-E766 PolarHBondContact NE-OE1 3.49Å; R762-E766 IonicContact NH2-OE1 2.79Å; R762-E766 PolarHBondContact NH2-OE1 2.83Å; R762-E766 WeakPolarHBondContact O-CG 3.05Å; R762-E766 PolarHBondContact O-N 2.89Å; I763-E766 PolarHBondContact O-N 3.02Å |
| 767 | N | 54.9 | Low | 62.9 | Low | 95 Ų | 95 | 88.3 Ų | 88.3 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.4 | -34.1 | 172.5 | -80.7 | -88.4 | 0 | 0 | 0 | 113.6 | I763 S764 K769 V770 H771 | I763-N767 PolarHBondContact O-N 3.05Å; I763-N767 PolarHBondContact O-ND2 3.48Å; S764-N767 PolarHBondContact O-N 3.15Å; N767-K769 VanDerWaalsContact C-N 3.26Å; N767-K769 PolarHBondContact O-N 3.45Å; N767-V770 WeakPolarHBondContact O-CA 3.29Å; N767-V770 WeakPolarHBondContact O-CB 3.47Å; N767-V770 PolarHBondContact O-N 2.83Å; N767-H771 PolarHBondContact O-N 2.85Å |
| 768 | Y | 54.3 | Low | 62.2 | Low | 123 Ų | 123 | 93.2 Ų | 93.2 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 176.1 | 169.4 | -102 | 0 | 0 | 0 | 111.7 | S764 V770 H771 G772 | S764-Y768 VanDerWaalsContact O-CB 3.28Å; S764-Y768 WeakPolarHBondContact O-CB 3.31Å; S764-Y768 PolarHBondContact O-N 3.47Å; Y768-V770 PolarHBondContact O-N 3.21Å; Y768-V770 VanDerWaalsContact O-N 3.15Å; Y768-H771 PolarHBondContact O-N 2.69Å; Y768-G772 WeakPolarHBondContact CE2-O 3.38Å; Y768-G772 WeakPolarHBondContact O-CA 3.43Å; Y768-G772 PolarHBondContact O-N 2.66Å |
| 769 | K | 53.1 | Low | 61.1 | Low | 188 Ų | 188 | 88.1 Ų | 88.1 | 82% | 0.817 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.7 | -17.5 | 171.8 | -74.5 | -176.5 | 174.3 | -177.2 | 0 | 114.5 | G765 N767 | G765-K769 PolarHBondContact O-N 2.88Å; N767-K769 VanDerWaalsContact C-N 3.26Å; N767-K769 PolarHBondContact O-N 3.45Å |
| 770 | V | 54.8 | Low | 60.4 | Low | 105 Ų | 105 | 86.3 Ų | 86.3 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -98.9 | -32.2 | -177.8 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | N767 Y768 | N767-V770 WeakPolarHBondContact O-CA 3.29Å; N767-V770 WeakPolarHBondContact O-CB 3.47Å; N767-V770 PolarHBondContact O-N 2.83Å; Y768-V770 PolarHBondContact O-N 3.21Å; Y768-V770 VanDerWaalsContact O-N 3.15Å |
| 771 | H | 52.8 | Low | 60 | Low | 150 Ų | 150 | 87.3 Ų | 87.3 | 69% | 0.694 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -125.9 | -3.2 | -173.7 | -75.9 | 89.1 | 0 | 0 | 0 | 115.9 | N767 Y768 D773 | N767-H771 PolarHBondContact O-N 2.85Å; Y768-H771 PolarHBondContact O-N 2.69Å; H771-D773 PolarHBondContact O-N 2.81Å |
| 772 | G | 52.6 | Low | 59.6 | Low | 51 Ų | 51 | 91.2 Ų | 91.2 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | trans | 66.9 | -0.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | Y768 | Y768-G772 WeakPolarHBondContact CE2-O 3.38Å; Y768-G772 WeakPolarHBondContact O-CA 3.43Å; Y768-G772 PolarHBondContact O-N 2.66Å | ||
| 773 | D | 56.6 | Low | 59.1 | Low | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 47% | 0.465 | S | S | . | . | trans | -90.3 | 121.9 | -164.5 | -168.3 | 19.8 | 0 | 0 | 0 | 114.1 | H771 N775 A776 | H771-D773 PolarHBondContact O-N 2.81Å; D773-N775 VanDerWaalsContact CG-ND2 3.27Å; D773-N775 PolarHBondContact O-N 3.25Å; D773-N775 VanDerWaalsContact O-N 3.1Å; D773-N775 PolarHBondContact OD1-ND2 3.4Å; D773-N775 WeakPolarHBondContact OD2-CB 3.39Å; D773-N775 PolarHBondContact OD2-ND2 3.15Å; D773-A776 PolarHBondContact O-N 2.99Å | ||
| 774 | A | 54.9 | Low | 59.1 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 63% | 0.628 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A776 | A774-A776 PolarHBondContact O-N 2.87Š|
| 775 | N | 59.6 | Low | 59 | Low | 79 Ų | 79 | 83.1 Ų | 83.1 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -25.4 | 175.3 | -66.7 | -57.1 | 0 | 0 | 0 | 113.3 | D773 V777 K778 L779 | D773-N775 VanDerWaalsContact CG-ND2 3.27Å; D773-N775 PolarHBondContact O-N 3.25Å; D773-N775 VanDerWaalsContact O-N 3.1Å; D773-N775 PolarHBondContact OD1-ND2 3.4Å; D773-N775 WeakPolarHBondContact OD2-CB 3.39Å; D773-N775 PolarHBondContact OD2-ND2 3.15Å; N775-V777 PolarHBondContact O-N 3.46Å; N775-K778 CarbonylContact O-C 3.56Å; N775-K778 WeakPolarHBondContact O-CB 3.22Å; N775-K778 PolarHBondContact O-N 3.34Å; N775-K778 VanDerWaalsContact O-N 3.13Å; N775-L779 HydrophobicContact CB-CD1 4.41Å; N775-L779 VanDerWaalsContact O-CD1 3.32Å; N775-L779 WeakPolarHBondContact O-CD1 3.48Å; N775-L779 PolarHBondContact O-N 2.96Å |
| 776 | A | 55.6 | Low | 59.1 | Low | 31 Ų | 31 | 83.8 Ų | 83.8 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D773 A774 L779 T780 | D773-A776 PolarHBondContact O-N 2.99Å; A774-A776 PolarHBondContact O-N 2.87Å; A776-L779 PolarHBondContact O-N 3.42Å; A776-T780 PolarHBondContact O-N 2.65Å; A776-T780 PolarHBondContact O-OG1 2.95Å |
| 777 | V | 57.1 | Low | 59.4 | Low | 102 Ų | 102 | 80.1 Ų | 80.1 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.6 | -38.5 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | N775 L779 T780 A781 | N775-V777 PolarHBondContact O-N 3.46Å; V777-L779 PolarHBondContact O-N 3.15Å; V777-T780 PolarHBondContact O-N 3.02Å; V777-A781 WeakPolarHBondContact O-CB 3.43Å; V777-A781 PolarHBondContact O-N 3.33Å |
| 778 | K | 61.4 | Low | 60.2 | Low | 137 Ų | 137 | 78.9 Ų | 78.9 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.1 | -33.2 | 177.5 | -165.8 | 173.6 | -175.5 | 174.5 | 0 | 112.6 | N775 K782 | N775-K778 CarbonylContact O-C 3.56Å; N775-K778 WeakPolarHBondContact O-CB 3.22Å; N775-K778 PolarHBondContact O-N 3.34Å; N775-K778 VanDerWaalsContact O-N 3.13Å; K778-K782 WeakPolarHBondContact O-CB 3.15Å; K778-K782 VanDerWaalsContact O-CG 3.31Å; K778-K782 WeakPolarHBondContact O-CG 3.39Å; K778-K782 PolarHBondContact O-N 3.44Å |
| 779 | L | 57.7 | Low | 60.8 | Low | 77 Ų | 77 | 73.4 Ų | 73.4 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 169.7 | -96.3 | 72 | 0 | 0 | 0 | 111.3 | N775 A776 V777 A781 K782 A783 F891 | N775-L779 HydrophobicContact CB-CD1 4.41Å; N775-L779 VanDerWaalsContact O-CD1 3.32Å; N775-L779 WeakPolarHBondContact O-CD1 3.48Å; N775-L779 PolarHBondContact O-N 2.96Å; A776-L779 PolarHBondContact O-N 3.42Å; V777-L779 PolarHBondContact O-N 3.15Å; L779-A781 PolarHBondContact O-N 2.79Å; L779-K782 WeakPolarHBondContact O-CB 3.41Å; L779-K782 PolarHBondContact O-N 3.16Å; L779-A783 PolarHBondContact O-N 2.83Å; L779-F891 HydrophobicContact CD2-CB 4.26Å |
| 780 | T | 64.4 | Low | 61.8 | Low | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.098 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60 | -47 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | I760 S764 A776 V777 K782 A783 V784 | I760-T780 HydrophobicContact CG2-CG2 3.8Å; S764-T780 PolarHBondContact OG-OG1 3.4Å; A776-T780 PolarHBondContact O-N 2.65Å; A776-T780 PolarHBondContact O-OG1 2.95Å; V777-T780 PolarHBondContact O-N 3.02Å; T780-K782 VanDerWaalsContact C-N 3.34Å; T780-K782 PolarHBondContact O-N 3.18Å; T780-A783 PolarHBondContact O-N 3.24Å; T780-V784 WeakPolarHBondContact O-CG2 3.42Å; T780-V784 PolarHBondContact O-N 3.31Å |
| 781 | A | 62.8 | Low | 63 | Low | 60 Ų | 60 | 59.8 Ų | 59.8 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V777 L779 A785 | V777-A781 WeakPolarHBondContact O-CB 3.43Å; V777-A781 PolarHBondContact O-N 3.33Å; L779-A781 PolarHBondContact O-N 2.79Å; A781-A785 WeakPolarHBondContact O-CB 3.3Å; A781-A785 PolarHBondContact O-N 3.5Å |
| 782 | K | 63.2 | Low | 64.1 | Low | 140 Ų | 140 | 52.7 Ų | 52.7 | 61% | 0.609 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 172.5 | -81.1 | 179.4 | 173 | -168.5 | 0 | 112.1 | K778 L779 T780 V784 A785 V786 | K778-K782 WeakPolarHBondContact O-CB 3.15Å; K778-K782 VanDerWaalsContact O-CG 3.31Å; K778-K782 WeakPolarHBondContact O-CG 3.39Å; K778-K782 PolarHBondContact O-N 3.44Å; L779-K782 WeakPolarHBondContact O-CB 3.41Å; L779-K782 PolarHBondContact O-N 3.16Å; T780-K782 VanDerWaalsContact C-N 3.34Å; T780-K782 PolarHBondContact O-N 3.18Å; K782-V784 PolarHBondContact O-N 3.03Å; K782-A785 PolarHBondContact O-N 3.06Å; K782-V786 WeakPolarHBondContact O-CB 3.36Å; K782-V786 VanDerWaalsContact O-CG2 3.25Å; K782-V786 WeakPolarHBondContact O-CG2 2.97Å; K782-V786 PolarHBondContact O-N 2.92Å |
| 783 | A | 64.7 | Low | 65.4 | Low | 21 Ų | 21 | 51 Ų | 51 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L779 T780 V786 L787 L893 | L779-A783 PolarHBondContact O-N 2.83Å; T780-A783 PolarHBondContact O-N 3.24Å; A783-V786 WeakPolarHBondContact O-CB 3.47Å; A783-V786 PolarHBondContact O-N 3.4Å; A783-L787 VanDerWaalsContact O-CG 3.3Å; A783-L787 WeakPolarHBondContact O-CG 3.14Å; A783-L787 PolarHBondContact O-N 3.39Å; A783-L893 HydrophobicContact CB-CD2 4.44Å |
| 784 | V | 68.1 | Low | 66.7 | Low | 29 Ų | 29 | 47.7 Ų | 47.7 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | L753 T757 T780 K782 V786 L787 L788 | L753-V784 HydrophobicContact CD1-CG1 4.33Å; L753-V784 HydrophobicContact CD2-CG1 4.41Å; T757-V784 HydrophobicContact CG2-CG2 3.9Å; T757-V784 WeakPolarHBondContact OG1-CG2 3.35Å; T780-V784 WeakPolarHBondContact O-CG2 3.42Å; T780-V784 PolarHBondContact O-N 3.31Å; K782-V784 PolarHBondContact O-N 3.03Å; V784-V786 PolarHBondContact O-N 2.98Å; V784-L787 PolarHBondContact O-N 3.22Å; V784-L788 PolarHBondContact O-N 3.41Å |
| 785 | A | 64.1 | Low | 68 | Low | 59 Ų | 59 | 45.5 Ų | 45.5 | 49% | 0.488 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -30.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A781 K782 | A781-A785 WeakPolarHBondContact O-CB 3.3Å; A781-A785 PolarHBondContact O-N 3.5Å; K782-A785 PolarHBondContact O-N 3.06Å |
| 786 | V | 65.8 | Low | 69 | Low | 48 Ų | 48 | 44.3 Ų | 44.3 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.3 | -35.4 | 174.8 | 153.2 | 0 | 0 | 0 | 0 | 112.8 | K782 A783 V784 P789 F827 | K782-V786 WeakPolarHBondContact O-CB 3.36Å; K782-V786 VanDerWaalsContact O-CG2 3.25Å; K782-V786 WeakPolarHBondContact O-CG2 2.97Å; K782-V786 PolarHBondContact O-N 2.92Å; A783-V786 WeakPolarHBondContact O-CB 3.47Å; A783-V786 PolarHBondContact O-N 3.4Å; V784-V786 PolarHBondContact O-N 2.98Å; V786-P789 WeakPolarHBondContact O-CD 3.38Å; V786-F827 HydrophobicContact CB-CD1 4.33Å; V786-F827 HydrophobicContact CB-CE1 3.97Å; V786-F827 HydrophobicContact CB-CE2 4.42Å; V786-F827 HydrophobicContact CB-CZ 4.02Å; V786-F827 HydrophobicContact CG1-CB 4.42Å; V786-F827 HydrophobicContact CG1-CD1 3.32Å; V786-F827 HydrophobicContact CG1-CD2 3.86Å; V786-F827 HydrophobicContact CG1-CE1 3.44Å; V786-F827 VanDerWaalsContact CG1-CE1 3.44Å; V786-F827 HydrophobicContact CG1-CE2 3.92Å; V786-F827 HydrophobicContact CG1-CG 3.58Å; V786-F827 HydrophobicContact CG1-CZ 3.75Å; V786-F827 HydrophobicContact CG2-CD1 4.19Å; V786-F827 HydrophobicContact CG2-CE1 3.44Å; V786-F827 VanDerWaalsContact CG2-CE1 3.44Å; V786-F827 HydrophobicContact CG2-CE2 4.47Å; V786-F827 HydrophobicContact CG2-CZ 3.62Å |
| 787 | L | 69.2 | Low | 70.2 | Confident | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.2 | -24.7 | -180 | -68.7 | 164.3 | 0 | 0 | 0 | 113.6 | L753 A783 V784 I790 L791 V896 | L753-L787 HydrophobicContact CD1-CB 4.34Å; L753-L787 HydrophobicContact CD1-CD1 4.37Å; A783-L787 VanDerWaalsContact O-CG 3.3Å; A783-L787 WeakPolarHBondContact O-CG 3.14Å; A783-L787 PolarHBondContact O-N 3.39Å; V784-L787 PolarHBondContact O-N 3.22Å; L787-I790 HydrophobicContact CD2-CD1 4.41Å; L787-I790 PolarHBondContact O-N 2.94Å; L787-I790 VanDerWaalsContact O-N 3.14Å; L787-L791 PolarHBondContact O-N 2.83Å; L787-L791 VanDerWaalsContact O-N 3.1Å; L787-V896 HydrophobicContact CD1-CG1 3.87Å; L787-V896 HydrophobicContact CD2-CG1 4.29Å |
| 788 | L | 71.7 | Confident | 71 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.7 | -46.1 | -176.2 | -82.9 | 170.3 | 0 | 0 | 0 | 114.5 | L753 V784 I793 | L753-L788 HydrophobicContact CD2-CD2 3.48Å; L753-L788 VanDerWaalsContact CD2-CD2 3.48Å; L753-L788 HydrophobicContact CD2-CG 4.06Å; V784-L788 PolarHBondContact O-N 3.41Å; L788-I793 HydrophobicContact CD2-CB 3.95Å; L788-I793 HydrophobicContact CD2-CD1 3.92Å; L788-I793 HydrophobicContact CD2-CG2 3.63Å; L788-I793 PolarHBondContact O-N 3.43Å |
| 789 | P | 66.8 | Low | 71.4 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.8 | -31.7 | 176.8 | -18.7 | 33.3 | 0 | 0 | 0 | 113.2 | V786 G792 F816 Q820 F823 | V786-P789 WeakPolarHBondContact O-CD 3.38Å; P789-G792 PolarHBondContact O-N 3.46Å; P789-F816 HydrophobicContact CG-CD1 4.28Å; P789-F816 HydrophobicContact CG-CE1 4.28Å; P789-Q820 PolarHBondContact O-NE2 3.4Å; P789-F823 HydrophobicContact CB-CB 4.38Å; P789-F823 HydrophobicContact CB-CD2 3.81Å; P789-F823 HydrophobicContact CB-CE2 4.38Å; P789-F823 HydrophobicContact CB-CG 4.18Å; P789-F823 HydrophobicContact CG-CD2 4.24Å; P789-F823 HydrophobicContact CG-CE2 4.49Å; P789-F823 HydrophobicContact CG-CG 4.42Å |
| 790 | I | 73.4 | Confident | 71.9 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -46.4 | -177.4 | -49.5 | 179.5 | 0 | 0 | 0 | 109.9 | E675 L787 G792 F827 | E675-I790 WeakPolarHBondContact OE1-CG2 3.25Å; E675-I790 WeakPolarHBondContact OE2-CG2 3.3Å; L787-I790 HydrophobicContact CD2-CD1 4.41Å; L787-I790 PolarHBondContact O-N 2.94Å; L787-I790 VanDerWaalsContact O-N 3.14Å; I790-G792 PolarHBondContact O-N 3.13Å; I790-G792 VanDerWaalsContact O-N 3.11Å; I790-F827 HydrophobicContact CD1-CB 3.9Å; I790-F827 HydrophobicContact CD1-CD2 3.72Å; I790-F827 HydrophobicContact CD1-CG 4.12Å; I790-F827 HydrophobicContact CG1-CD2 4.09Å |
| 791 | L | 79.8 | Confident | 71.8 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 6.4 | 179.5 | -64.2 | 176.5 | 0 | 0 | 0 | 114.5 | N749 L753 L787 I793 | N749-L791 HydrophobicContact CB-CB 4.38Å; N749-L791 PolarHBondContact ND2-O 2.69Å; L753-L791 HydrophobicContact CB-CD1 4.12Å; L753-L791 HydrophobicContact CD1-CD1 4.09Å; L753-L791 HydrophobicContact CG-CD1 4.47Å; L787-L791 PolarHBondContact O-N 2.83Å; L787-L791 VanDerWaalsContact O-N 3.1Å; L791-I793 VanDerWaalsContact C-N 3.29Å; L791-I793 HydrophobicContact CB-CD1 4Å; L791-I793 HydrophobicContact CB-CG1 4.2Å; L791-I793 HydrophobicContact CD1-CD1 4.37Å; L791-I793 PolarHBondContact O-N 2.82Å |
| 792 | G | 76.3 | Confident | 71.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 10.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M672 P789 I790 S794 W795 | M672-G792 WeakPolarHBondContact SD-CA 3.41Å; P789-G792 PolarHBondContact O-N 3.46Å; I790-G792 PolarHBondContact O-N 3.13Å; I790-G792 VanDerWaalsContact O-N 3.11Å; G792-S794 PolarHBondContact O-N 3.13Å; G792-W795 WeakPolarHBondContact O-CB 3.39Å; G792-W795 PolarHBondContact O-N 3.45Å; G792-W795 VanDerWaalsContact O-N 3.1Å |
| 793 | I | 81 | Confident | 71 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -70.2 | -18.9 | -173 | -65.6 | 169 | 0 | 0 | 0 | 111.8 | I750 L753 L788 L791 W795 I796 | I750-I793 HydrophobicContact CG1-CD1 4.23Å; I750-I793 HydrophobicContact CG1-CG1 4.26Å; I750-I793 HydrophobicContact CG1-CG2 4.35Å; L753-I793 HydrophobicContact CB-CD1 4.32Å; L753-I793 HydrophobicContact CD2-CD1 3.67Å; L788-I793 HydrophobicContact CD2-CB 3.95Å; L788-I793 HydrophobicContact CD2-CD1 3.92Å; L788-I793 HydrophobicContact CD2-CG2 3.63Å; L788-I793 PolarHBondContact O-N 3.43Å; L791-I793 VanDerWaalsContact C-N 3.29Å; L791-I793 HydrophobicContact CB-CD1 4Å; L791-I793 HydrophobicContact CB-CG1 4.2Å; L791-I793 HydrophobicContact CD1-CD1 4.37Å; L791-I793 PolarHBondContact O-N 2.82Å; I793-W795 PolarHBondContact O-N 3.39Å; I793-I796 HydrophobicContact CG2-CD1 3.73Å; I793-I796 WeakPolarHBondContact O-CD1 3.35Å; I793-I796 VanDerWaalsContact O-CG1 3.3Å; I793-I796 WeakPolarHBondContact O-CG1 3.4Å; I793-I796 PolarHBondContact O-N 2.9Å |
| 794 | S | 83 | Confident | 69.9 | Low | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -55.8 | -26.3 | 168.4 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | G792 I796 F797 | G792-S794 PolarHBondContact O-N 3.13Å; S794-I796 PolarHBondContact O-N 3.25Å; S794-F797 WeakPolarHBondContact O-CB 3.45Å; S794-F797 VanDerWaalsContact O-CD2 3.26Å; S794-F797 WeakPolarHBondContact O-CD2 3.44Å; S794-F797 PolarHBondContact O-N 2.73Å; S794-F797 VanDerWaalsContact O-N 3.11Å |
| 795 | W | 82.8 | Confident | 69.1 | Low | 29 Ų | 29 | 52.6 Ų | 52.6 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -68.3 | -14.5 | -178.8 | -75.2 | 76.5 | 0 | 0 | 0 | 113.9 | F665 F669 F738 I746 G792 I793 F797 G798 V799 F813 N817 | F665-W795 AromaticContact CD1-CH2 3.98Å; F665-W795 HydrophobicContact CD1-CH2 3.98Å; F665-W795 HydrophobicContact CD1-CZ2 4.08Å; F665-W795 AromaticContact CE1-CH2 3.97Å; F665-W795 HydrophobicContact CE1-CH2 3.97Å; F665-W795 HydrophobicContact CE1-CZ2 4.03Å; F669-W795 HydrophobicContact CE1-CB 4.31Å; F669-W795 HydrophobicContact CE1-CD2 4.09Å; F669-W795 AromaticContact CE1-CG 3.92Å; F669-W795 HydrophobicContact CE1-CG 3.92Å; F669-W795 HydrophobicContact CE2-CD2 4.41Å; F669-W795 HydrophobicContact CE2-CE3 4.35Å; F669-W795 HydrophobicContact CE2-CH2 4.46Å; F669-W795 HydrophobicContact CE2-CZ3 4.38Å; F669-W795 HydrophobicContact CZ-CB 4.3Å; F669-W795 AromaticContact CZ-CD2 3.45Å; F669-W795 HydrophobicContact CZ-CD2 3.45Å; F669-W795 VanDerWaalsContact CZ-CD2 3.45Å; F669-W795 AromaticContact CZ-CE2 3.77Å; F669-W795 AromaticContact CZ-CE3 3.66Å; F669-W795 HydrophobicContact CZ-CE3 3.66Å; F669-W795 AromaticContact CZ-CG 3.77Å; F669-W795 HydrophobicContact CZ-CG 3.77Å; F669-W795 HydrophobicContact CZ-CH2 4.37Å; F669-W795 HydrophobicContact CZ-CZ2 4.21Å; F669-W795 HydrophobicContact CZ-CZ3 4.12Å; F738-W795 HydrophobicContact CE1-CZ3 4.36Å; F738-W795 HydrophobicContact CZ-CH2 4.36Å; F738-W795 AromaticContact CZ-CZ3 3.99Å; F738-W795 HydrophobicContact CZ-CZ3 3.99Å; I746-W795 HydrophobicContact CD1-CB 3.71Å; G792-W795 WeakPolarHBondContact O-CB 3.39Å; G792-W795 PolarHBondContact O-N 3.45Å; G792-W795 VanDerWaalsContact O-N 3.1Å; I793-W795 PolarHBondContact O-N 3.39Å; W795-F797 PolarHBondContact O-N 3.23Å; W795-G798 PolarHBondContact O-N 3.04Å; W795-V799 PolarHBondContact O-N 3.4Å; W795-F813 AromaticContact CD2-CE2 3.79Å; W795-F813 HydrophobicContact CD2-CE2 3.79Å; W795-F813 HydrophobicContact CD2-CZ 4.28Å; W795-F813 AromaticContact CE3-CE2 3.67Å; W795-F813 HydrophobicContact CE3-CE2 3.67Å; W795-F813 AromaticContact CE3-CZ 3.77Å; W795-F813 HydrophobicContact CE3-CZ 3.77Å; W795-F813 HydrophobicContact CG-CE2 4.18Å; W795-F813 HydrophobicContact CH2-CZ 4.45Å; W795-F813 HydrophobicContact CZ3-CE2 4.22Å; W795-F813 AromaticContact CZ3-CZ 3.87Å; W795-F813 HydrophobicContact CZ3-CZ 3.87Å; W795-N817 WeakPolarHBondContact CZ2-OD1 3.32Å |
| 796 | I | 81.1 | Confident | 69 | Low | 55 Ų | 55 | 51.2 Ų | 51.2 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.7 | -36.8 | 168.7 | -61.9 | 169.4 | 0 | 0 | 0 | 110.9 | I746 I750 I793 S794 G798 V799 L800 | I746-I796 HydrophobicContact CG2-CD1 3.97Å; I746-I796 HydrophobicContact CG2-CG1 3.55Å; I750-I796 HydrophobicContact CD1-CD1 3.86Å; I793-I796 HydrophobicContact CG2-CD1 3.73Å; I793-I796 WeakPolarHBondContact O-CD1 3.35Å; I793-I796 VanDerWaalsContact O-CG1 3.3Å; I793-I796 WeakPolarHBondContact O-CG1 3.4Å; I793-I796 PolarHBondContact O-N 2.9Å; S794-I796 PolarHBondContact O-N 3.25Å; I796-G798 VanDerWaalsContact C-N 3.27Å; I796-G798 PolarHBondContact O-N 3.47Å; I796-V799 WeakPolarHBondContact O-CB 3.42Å; I796-V799 PolarHBondContact O-N 2.96Å; I796-V799 VanDerWaalsContact O-N 3.1Å; I796-L800 HydrophobicContact CG2-CD1 3.97Å; I796-L800 HydrophobicContact CG2-CG 4.26Å; I796-L800 WeakPolarHBondContact O-CG 3.28Å; I796-L800 PolarHBondContact O-N 2.94Å |
| 797 | F | 80.3 | Confident | 69.2 | Low | 65 Ų | 65 | 52.3 Ų | 52.3 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -29.9 | 179.2 | -57.9 | -53.3 | 0 | 0 | 0 | 112.5 | S794 W795 L800 A801 F809 V812 F813 | S794-F797 WeakPolarHBondContact O-CB 3.45Å; S794-F797 VanDerWaalsContact O-CD2 3.26Å; S794-F797 WeakPolarHBondContact O-CD2 3.44Å; S794-F797 PolarHBondContact O-N 2.73Å; S794-F797 VanDerWaalsContact O-N 3.11Å; W795-F797 PolarHBondContact O-N 3.23Å; F797-L800 HydrophobicContact CD1-CD1 4.3Å; F797-L800 PolarHBondContact O-N 3.47Å; F797-A801 VanDerWaalsContact O-CB 3.24Å; F797-A801 WeakPolarHBondContact O-CB 3.38Å; F797-A801 PolarHBondContact O-N 3.36Å; F797-F809 AromaticContact CD1-CD1 3.81Å; F797-F809 HydrophobicContact CD1-CD1 3.81Å; F797-F809 HydrophobicContact CD1-CE1 4.28Å; F797-F809 HydrophobicContact CE1-CD1 4.4Å; F797-F809 HydrophobicContact CE1-CE1 4.47Å; F797-V812 HydrophobicContact CB-CG1 4.41Å; F797-V812 HydrophobicContact CD1-CG1 4.42Å; F797-V812 HydrophobicContact CD2-CG1 3.55Å; F797-V812 HydrophobicContact CE2-CG1 3.8Å; F797-V812 HydrophobicContact CG-CG1 3.88Å; F797-V812 HydrophobicContact CZ-CG1 4.34Å; F797-F813 HydrophobicContact CB-CB 3.94Å |
| 798 | G | 72.9 | Confident | 69.5 | Low | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W795 I796 F802 | W795-G798 PolarHBondContact O-N 3.04Å; I796-G798 VanDerWaalsContact C-N 3.27Å; I796-G798 PolarHBondContact O-N 3.47Å; G798-F802 VanDerWaalsContact O-CD2 3.3Å; G798-F802 WeakPolarHBondContact O-CD2 3.33Å |
| 799 | V | 70.4 | Confident | 69.8 | Low | 58 Ų | 58 | 55.9 Ų | 55.9 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | L743 W795 I796 A801 | L743-V799 HydrophobicContact CD2-CG1 4.24Å; L743-V799 HydrophobicContact CD2-CG2 3.84Å; W795-V799 PolarHBondContact O-N 3.4Å; I796-V799 WeakPolarHBondContact O-CB 3.42Å; I796-V799 PolarHBondContact O-N 2.96Å; I796-V799 VanDerWaalsContact O-N 3.1Å; V799-A801 VanDerWaalsContact C-N 3.32Å; V799-A801 PolarHBondContact O-N 2.95Å |
| 800 | L | 68.7 | Low | 70.2 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 176.8 | -68.8 | 171.5 | 0 | 0 | 0 | 112.4 | I796 F797 F802 N803 T806 F809 | I796-L800 HydrophobicContact CG2-CD1 3.97Å; I796-L800 HydrophobicContact CG2-CG 4.26Å; I796-L800 WeakPolarHBondContact O-CG 3.28Å; I796-L800 PolarHBondContact O-N 2.94Å; F797-L800 HydrophobicContact CD1-CD1 4.3Å; F797-L800 PolarHBondContact O-N 3.47Å; L800-F802 PolarHBondContact O-N 3.4Å; L800-F802 VanDerWaalsContact O-N 3.17Å; L800-N803 PolarHBondContact O-N 2.86Å; L800-N803 PolarHBondContact O-ND2 3.44Å; L800-T806 PolarHBondContact O-OG1 3.13Å; L800-F809 HydrophobicContact CD1-CD1 4.41Å; L800-F809 HydrophobicContact CD1-CE1 4.37Å |
| 801 | A | 61.3 | Low | 70.6 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F797 V799 N803 L810 | F797-A801 VanDerWaalsContact O-CB 3.24Å; F797-A801 WeakPolarHBondContact O-CB 3.38Å; F797-A801 PolarHBondContact O-N 3.36Å; V799-A801 VanDerWaalsContact C-N 3.32Å; V799-A801 PolarHBondContact O-N 2.95Å; A801-N803 PolarHBondContact O-N 3.02Å; A801-L810 HydrophobicContact CB-CB 4.26Å; A801-L810 HydrophobicContact CB-CD1 4.4Å |
| 802 | F | 55.7 | Low | 70.8 | Confident | 140 Ų | 140 | 63 Ų | 63 | 61% | 0.614 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.3 | 172.1 | -77.8 | -79.8 | 0 | 0 | 0 | 113.7 | L730 G798 L800 | L730-F802 HydrophobicContact CD2-CE1 4.46Å; G798-F802 VanDerWaalsContact O-CD2 3.3Å; G798-F802 WeakPolarHBondContact O-CD2 3.33Å; L800-F802 PolarHBondContact O-N 3.4Å; L800-F802 VanDerWaalsContact O-N 3.17Å |
| 803 | N | 53 | Low | 71.1 | Confident | 106 Ų | 106 | 65 Ų | 65 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -76.6 | 136.7 | 171.6 | -73.1 | -77.6 | 0 | 0 | 0 | 111.2 | L800 A801 H805 T806 | L800-N803 PolarHBondContact O-N 2.86Å; L800-N803 PolarHBondContact O-ND2 3.44Å; A801-N803 PolarHBondContact O-N 3.02Å; N803-H805 PolarHBondContact O-N 2.91Å; N803-T806 HydrophobicContact CB-CG2 4.43Å; N803-T806 PolarHBondContact O-N 2.76Å; N803-T806 PolarHBondContact O-OG1 2.99Å |
| 804 | T | 43.5 | Very low | 71.2 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 83% | 0.834 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 4.2 | -172.7 | 39.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 805 | H | 51.3 | Low | 71.3 | Confident | 169 Ų | 169 | 68 Ų | 68 | 78% | 0.782 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 6.5 | -179.3 | -69.2 | -86.6 | 0 | 0 | 0 | 114.1 | N803 | N803-H805 PolarHBondContact O-N 2.91Š|
| 806 | T | 61.9 | Low | 71.4 | Confident | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | trans | -109.6 | 39.6 | -165.3 | 38.7 | 0 | 0 | 0 | 0 | 116.7 | L800 N803 P808 F809 L810 | L800-T806 PolarHBondContact O-OG1 3.13Å; N803-T806 HydrophobicContact CB-CG2 4.43Å; N803-T806 PolarHBondContact O-N 2.76Å; N803-T806 PolarHBondContact O-OG1 2.99Å; T806-P808 VanDerWaalsContact C-CD 3.43Å; T806-F809 HydrophobicContact CG2-CD2 3.61Å; T806-F809 HydrophobicContact CG2-CE2 3.99Å; T806-F809 WeakPolarHBondContact O-CB 3.16Å; T806-F809 PolarHBondContact O-N 2.86Å; T806-L810 PolarHBondContact O-N 3.45Å | ||
| 807 | T | 69.2 | Low | 71.5 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 44% | 0.436 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -41.8 | -46.2 | 173.6 | -46.2 | 0 | 0 | 0 | 0 | 116.1 | F809 L810 Y811 | T807-F809 VanDerWaalsContact C-N 3.31Å; T807-F809 PolarHBondContact O-N 3.37Å; T807-L810 WeakPolarHBondContact O-CB 3.49Å; T807-L810 PolarHBondContact O-N 3.41Å; T807-Y811 HydrophobicContact CG2-CD2 4.27Å; T807-Y811 HydrophobicContact CG2-CE2 4.03Å; T807-Y811 PolarHBondContact O-N 3.15Å |
| 808 | P | 76.3 | Confident | 71.8 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 178.9 | 23.8 | -34.5 | 0 | 0 | 0 | 113.4 | T806 L810 Y811 V812 | T806-P808 VanDerWaalsContact C-CD 3.43Å; P808-L810 VanDerWaalsContact C-N 3.33Å; P808-Y811 PolarHBondContact O-N 3.19Å; P808-V812 VanDerWaalsContact O-CG2 3.31Å; P808-V812 WeakPolarHBondContact O-CG2 3.36Å; P808-V812 PolarHBondContact O-N 2.83Å |
| 809 | F | 77.4 | Confident | 72.6 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 177.8 | -67.5 | -82.9 | 0 | 0 | 0 | 112.1 | F797 L800 T806 T807 V812 F813 | F797-F809 AromaticContact CD1-CD1 3.81Å; F797-F809 HydrophobicContact CD1-CD1 3.81Å; F797-F809 HydrophobicContact CD1-CE1 4.28Å; F797-F809 HydrophobicContact CE1-CD1 4.4Å; F797-F809 HydrophobicContact CE1-CE1 4.47Å; L800-F809 HydrophobicContact CD1-CD1 4.41Å; L800-F809 HydrophobicContact CD1-CE1 4.37Å; T806-F809 HydrophobicContact CG2-CD2 3.61Å; T806-F809 HydrophobicContact CG2-CE2 3.99Å; T806-F809 WeakPolarHBondContact O-CB 3.16Å; T806-F809 PolarHBondContact O-N 2.86Å; T807-F809 VanDerWaalsContact C-N 3.31Å; T807-F809 PolarHBondContact O-N 3.37Å; F809-V812 PolarHBondContact O-N 3.34Å; F809-F813 VanDerWaalsContact O-CB 3.3Å; F809-F813 WeakPolarHBondContact O-CB 3.36Å; F809-F813 PolarHBondContact O-N 2.95Å |
| 810 | L | 75.8 | Confident | 73.4 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 173.3 | -176.9 | 63.5 | 0 | 0 | 0 | 111.9 | L580 L588 A801 T806 T807 P808 A814 | L580-L810 HydrophobicContact CD2-CD2 4Å; L588-L810 HydrophobicContact CD1-CG 4.3Å; L588-L810 HydrophobicContact CD2-CD1 4.19Å; L588-L810 HydrophobicContact CD2-CD2 3.87Å; L588-L810 HydrophobicContact CD2-CG 3.86Å; A801-L810 HydrophobicContact CB-CB 4.26Å; A801-L810 HydrophobicContact CB-CD1 4.4Å; T806-L810 PolarHBondContact O-N 3.45Å; T807-L810 WeakPolarHBondContact O-CB 3.49Å; T807-L810 PolarHBondContact O-N 3.41Å; P808-L810 VanDerWaalsContact C-N 3.33Å; L810-A814 WeakPolarHBondContact O-CB 3.23Å; L810-A814 PolarHBondContact O-N 3.23Å |
| 811 | Y | 81.9 | Confident | 74.3 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 173.5 | -80.5 | -67.6 | 0 | 0 | 0 | 112.4 | H584 A587 L588 I591 T807 P808 F813 A814 I815 | H584-Y811 AromaticContact CD2-CE2 3.44Å; H584-Y811 VanDerWaalsContact CD2-CE2 3.44Å; H584-Y811 WeakPolarHBondContact CD2-CE2 3.44Å; H584-Y811 AromaticContact CD2-CZ 3.56Å; H584-Y811 PolarHBondContact CD2-OH 3.45Å; H584-Y811 AromaticContact NE2-CE2 3.63Å; H584-Y811 PolarHBondContact NE2-OH 3.32Å; A587-Y811 HydrophobicContact CB-CE1 4.15Å; L588-Y811 HydrophobicContact CD1-CD1 3.74Å; L588-Y811 HydrophobicContact CD1-CE1 4.1Å; L588-Y811 HydrophobicContact CD1-CG 4.38Å; I591-Y811 HydrophobicContact CD1-CD1 3.86Å; I591-Y811 HydrophobicContact CD1-CE1 4.08Å; T807-Y811 HydrophobicContact CG2-CD2 4.27Å; T807-Y811 HydrophobicContact CG2-CE2 4.03Å; T807-Y811 PolarHBondContact O-N 3.15Å; P808-Y811 PolarHBondContact O-N 3.19Å; Y811-F813 VanDerWaalsContact C-N 3.34Å; Y811-F813 PolarHBondContact O-N 2.87Å; Y811-A814 PolarHBondContact O-N 3.44Å; Y811-I815 VanDerWaalsContact O-CG1 3.28Å; Y811-I815 WeakPolarHBondContact O-CG1 3.07Å; Y811-I815 PolarHBondContact O-N 2.96Å |
| 812 | V | 82.8 | Confident | 75.6 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.2 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | F797 P808 F809 F816 | F797-V812 HydrophobicContact CB-CG1 4.41Å; F797-V812 HydrophobicContact CD1-CG1 4.42Å; F797-V812 HydrophobicContact CD2-CG1 3.55Å; F797-V812 HydrophobicContact CE2-CG1 3.8Å; F797-V812 HydrophobicContact CG-CG1 3.88Å; F797-V812 HydrophobicContact CZ-CG1 4.34Å; P808-V812 VanDerWaalsContact O-CG2 3.31Å; P808-V812 WeakPolarHBondContact O-CG2 3.36Å; P808-V812 PolarHBondContact O-N 2.83Å; F809-V812 PolarHBondContact O-N 3.34Å; V812-F816 HydrophobicContact CG1-CD2 3.78Å; V812-F816 HydrophobicContact CG1-CE2 3.96Å; V812-F816 WeakPolarHBondContact O-CD2 3.48Å; V812-F816 PolarHBondContact O-N 3.25Å |
| 813 | F | 82.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 174.6 | 174.1 | -115.7 | 0 | 0 | 0 | 111.9 | W795 F797 F809 Y811 I815 F816 N817 | W795-F813 AromaticContact CD2-CE2 3.79Å; W795-F813 HydrophobicContact CD2-CE2 3.79Å; W795-F813 HydrophobicContact CD2-CZ 4.28Å; W795-F813 AromaticContact CE3-CE2 3.67Å; W795-F813 HydrophobicContact CE3-CE2 3.67Å; W795-F813 AromaticContact CE3-CZ 3.77Å; W795-F813 HydrophobicContact CE3-CZ 3.77Å; W795-F813 HydrophobicContact CG-CE2 4.18Å; W795-F813 HydrophobicContact CH2-CZ 4.45Å; W795-F813 HydrophobicContact CZ3-CE2 4.22Å; W795-F813 AromaticContact CZ3-CZ 3.87Å; W795-F813 HydrophobicContact CZ3-CZ 3.87Å; F797-F813 HydrophobicContact CB-CB 3.94Å; F809-F813 VanDerWaalsContact O-CB 3.3Å; F809-F813 WeakPolarHBondContact O-CB 3.36Å; F809-F813 PolarHBondContact O-N 2.95Å; Y811-F813 VanDerWaalsContact C-N 3.34Å; Y811-F813 PolarHBondContact O-N 2.87Å; F813-I815 PolarHBondContact O-N 2.79Å; F813-F816 PolarHBondContact O-N 2.83Å; F813-N817 HydrophobicContact CE2-CB 4.29Å; F813-N817 HydrophobicContact CZ-CB 4.48Å; F813-N817 WeakPolarHBondContact O-CB 3.35Å; F813-N817 PolarHBondContact O-N 2.82Å |
| 814 | A | 83.1 | Confident | 78.6 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L588 I591 L810 Y811 S818 | L588-A814 HydrophobicContact CD1-CB 3.48Å; L588-A814 VanDerWaalsContact CD1-CB 3.48Å; L588-A814 HydrophobicContact CG-CB 4.06Å; I591-A814 HydrophobicContact CG2-CB 4.25Å; L810-A814 WeakPolarHBondContact O-CB 3.23Å; L810-A814 PolarHBondContact O-N 3.23Å; Y811-A814 PolarHBondContact O-N 3.44Å; A814-S818 WeakPolarHBondContact O-CB 3.25Å; A814-S818 PolarHBondContact O-N 2.95Å; A814-S818 PolarHBondContact O-OG 3.26Å; A814-S818 VanDerWaalsContact O-OG 3.1Å |
| 815 | I | 85.7 | Confident | 80.7 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 178.9 | -66.4 | 166.1 | 0 | 0 | 0 | 111.4 | I591 Y811 F813 N817 L819 | I591-I815 HydrophobicContact CD1-CG1 4.3Å; I591-I815 HydrophobicContact CG2-CB 4.49Å; I591-I815 HydrophobicContact CG2-CG1 3.7Å; Y811-I815 VanDerWaalsContact O-CG1 3.28Å; Y811-I815 WeakPolarHBondContact O-CG1 3.07Å; Y811-I815 PolarHBondContact O-N 2.96Å; F813-I815 PolarHBondContact O-N 2.79Å; I815-N817 VanDerWaalsContact C-N 3.34Å; I815-L819 HydrophobicContact CG2-CD1 4.08Å; I815-L819 WeakPolarHBondContact O-CB 3.44Å; I815-L819 WeakPolarHBondContact O-CG 3.45Å; I815-L819 PolarHBondContact O-N 2.97Å |
| 816 | F | 83.9 | Confident | 82.3 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.9 | -31.9 | 179.6 | -83.7 | -67.7 | 0 | 0 | 0 | 112.9 | P789 V812 F813 Q820 F823 | P789-F816 HydrophobicContact CG-CD1 4.28Å; P789-F816 HydrophobicContact CG-CE1 4.28Å; V812-F816 HydrophobicContact CG1-CD2 3.78Å; V812-F816 HydrophobicContact CG1-CE2 3.96Å; V812-F816 WeakPolarHBondContact O-CD2 3.48Å; V812-F816 PolarHBondContact O-N 3.25Å; F813-F816 PolarHBondContact O-N 2.83Å; F816-Q820 PolarHBondContact O-N 2.89Å; F816-F823 AromaticContact CD1-CE2 3.84Å; F816-F823 HydrophobicContact CD1-CE2 3.84Å; F816-F823 HydrophobicContact CD1-CZ 4.23Å; F816-F823 HydrophobicContact CE1-CE2 4.28Å; F816-F823 HydrophobicContact CE1-CZ 4.22Å |
| 817 | N | 84.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 42.1 Ų | 42.1 | 15% | 0.15 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.5 | -48.2 | 177.2 | -171.7 | 62.6 | 0 | 0 | 0 | 111.8 | W795 F813 I815 L819 Q820 | W795-N817 WeakPolarHBondContact CZ2-OD1 3.32Å; F813-N817 HydrophobicContact CE2-CB 4.29Å; F813-N817 HydrophobicContact CZ-CB 4.48Å; F813-N817 WeakPolarHBondContact O-CB 3.35Å; F813-N817 PolarHBondContact O-N 2.82Å; I815-N817 VanDerWaalsContact C-N 3.34Å; N817-L819 PolarHBondContact O-N 3.21Å; N817-Q820 WeakPolarHBondContact O-CB 3.5Å; N817-Q820 PolarHBondContact O-N 3.47Å |
| 818 | S | 87.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -14 | -178.9 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | I591 G595 C596 S599 A814 | I591-S818 WeakPolarHBondContact O-CB 3.41Å; I591-S818 PolarHBondContact O-OG 3.49Å; G595-S818 CarbonylContact C-O 3.59Å; C596-S818 PolarHBondContact N-O 2.86Å; S599-S818 WeakPolarHBondContact CB-O 3.33Å; A814-S818 WeakPolarHBondContact O-CB 3.25Å; A814-S818 PolarHBondContact O-N 2.95Å; A814-S818 PolarHBondContact O-OG 3.26Å; A814-S818 VanDerWaalsContact O-OG 3.1Å |
| 819 | L | 88.2 | Confident | 83.7 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 10.4 | 173.2 | -61.7 | 176.1 | 0 | 0 | 0 | 113.7 | I815 N817 G821 F822 F823 | I815-L819 HydrophobicContact CG2-CD1 4.08Å; I815-L819 WeakPolarHBondContact O-CB 3.44Å; I815-L819 WeakPolarHBondContact O-CG 3.45Å; I815-L819 PolarHBondContact O-N 2.97Å; N817-L819 PolarHBondContact O-N 3.21Å; L819-G821 PolarHBondContact O-N 3.11Å; L819-F822 HydrophobicContact CB-CB 4.48Å; L819-F822 WeakPolarHBondContact O-CB 3.47Å; L819-F822 PolarHBondContact O-N 2.63Å; L819-F822 VanDerWaalsContact O-N 3.1Å; L819-F823 HydrophobicContact CB-CD2 4.38Å; L819-F823 HydrophobicContact CB-CE2 3.9Å; L819-F823 HydrophobicContact CB-CZ 4.49Å; L819-F823 WeakPolarHBondContact O-CD2 3.5Å; L819-F823 PolarHBondContact O-N 3.29Å; L819-F823 VanDerWaalsContact O-N 3.13Å |
| 820 | Q | 87.1 | Confident | 83.7 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | -173.4 | -170.1 | 169.2 | -8.9 | 0 | 0 | 112.3 | I634 M672 P789 F816 N817 F823 V824 | I634-Q820 HydrophobicContact CD1-CG 4.39Å; M672-Q820 VanDerWaalsContact CE-NE2 3.26Å; M672-Q820 PolarHBondContact SD-NE2 3.33Å; P789-Q820 PolarHBondContact O-NE2 3.4Å; F816-Q820 PolarHBondContact O-N 2.89Å; N817-Q820 WeakPolarHBondContact O-CB 3.5Å; N817-Q820 PolarHBondContact O-N 3.47Å; Q820-F823 PolarHBondContact O-N 3.47Å; Q820-V824 WeakPolarHBondContact O-CG2 3.37Å; Q820-V824 PolarHBondContact O-N 2.88Å; Q820-V824 VanDerWaalsContact O-N 3.11Å |
| 821 | G | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.4 | -26.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S599 L819 V824 F825 | S599-G821 WeakPolarHBondContact OG-CA 3.34Å; S599-G821 PolarHBondContact OG-N 3.18Å; L819-G821 PolarHBondContact O-N 3.11Å; G821-V824 PolarHBondContact O-N 3.13Å; G821-F825 PolarHBondContact O-N 3.42Å |
| 822 | F | 89.4 | Confident | 83.2 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 30% | 0.298 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 168.3 | 167.1 | -95.3 | 0 | 0 | 0 | 111.1 | I598 S599 L819 F825 L826 | I598-F822 HydrophobicContact CG2-CD2 4.31Å; S599-F822 PolarHBondContact OG-N 2.94Å; L819-F822 HydrophobicContact CB-CB 4.48Å; L819-F822 WeakPolarHBondContact O-CB 3.47Å; L819-F822 PolarHBondContact O-N 2.63Å; L819-F822 VanDerWaalsContact O-N 3.1Å; F822-F825 PolarHBondContact O-N 2.92Å; F822-L826 HydrophobicContact CE1-CD2 4.11Å; F822-L826 HydrophobicContact CZ-CD2 4.28Å; F822-L826 WeakPolarHBondContact O-CB 3.34Å; F822-L826 PolarHBondContact O-N 2.94Å |
| 823 | F | 86.3 | Confident | 82.5 | Confident | 36 Ų | 36 | 35.1 Ų | 35.1 | 16% | 0.158 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.4 | -65.7 | -57.7 | 0 | 0 | 0 | 111.7 | P789 F816 L819 Q820 F825 L826 F827 | P789-F823 HydrophobicContact CB-CB 4.38Å; P789-F823 HydrophobicContact CB-CD2 3.81Å; P789-F823 HydrophobicContact CB-CE2 4.38Å; P789-F823 HydrophobicContact CB-CG 4.18Å; P789-F823 HydrophobicContact CG-CD2 4.24Å; P789-F823 HydrophobicContact CG-CE2 4.49Å; P789-F823 HydrophobicContact CG-CG 4.42Å; F816-F823 AromaticContact CD1-CE2 3.84Å; F816-F823 HydrophobicContact CD1-CE2 3.84Å; F816-F823 HydrophobicContact CD1-CZ 4.23Å; F816-F823 HydrophobicContact CE1-CE2 4.28Å; F816-F823 HydrophobicContact CE1-CZ 4.22Å; L819-F823 HydrophobicContact CB-CD2 4.38Å; L819-F823 HydrophobicContact CB-CE2 3.9Å; L819-F823 HydrophobicContact CB-CZ 4.49Å; L819-F823 WeakPolarHBondContact O-CD2 3.5Å; L819-F823 PolarHBondContact O-N 3.29Å; L819-F823 VanDerWaalsContact O-N 3.13Å; Q820-F823 PolarHBondContact O-N 3.47Å; F823-F825 PolarHBondContact O-N 2.85Å; F823-L826 PolarHBondContact O-N 3.21Å; F823-F827 HydrophobicContact CB-CD2 4.09Å; F823-F827 HydrophobicContact CB-CE2 3.81Å; F823-F827 AromaticContact CD1-CE2 3.8Å; F823-F827 HydrophobicContact CD1-CE2 3.8Å; F823-F827 HydrophobicContact CD1-CZ 4.24Å; F823-F827 HydrophobicContact CG-CE2 4.2Å; F823-F827 WeakPolarHBondContact O-CD2 3.36Å; F823-F827 WeakPolarHBondContact O-CG 3.47Å; F823-F827 PolarHBondContact O-N 3.14Å |
| 824 | V | 85.8 | Confident | 82 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.4 | -48.8 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | L603 T606 S631 I634 Q820 G821 H828 | L603-V824 HydrophobicContact CD2-CB 4.24Å; L603-V824 HydrophobicContact CD2-CG1 4.04Å; T606-V824 HydrophobicContact CG2-CG1 4.3Å; S631-V824 WeakPolarHBondContact OG-CG1 3.46Å; I634-V824 HydrophobicContact CD1-CG2 4.43Å; Q820-V824 WeakPolarHBondContact O-CG2 3.37Å; Q820-V824 PolarHBondContact O-N 2.88Å; Q820-V824 VanDerWaalsContact O-N 3.11Å; G821-V824 PolarHBondContact O-N 3.13Å; V824-H828 WeakPolarHBondContact O-CB 3.25Å; V824-H828 PolarHBondContact O-N 3.04Å |
| 825 | F | 86.6 | Confident | 81.5 | Confident | 29 Ų | 29 | 36 Ų | 36 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.1 | 172.8 | -121.2 | 0 | 0 | 0 | 113.1 | C602 I605 T606 G821 F822 F823 F827 C829 L830 | C602-F825 HydrophobicContact CB-CB 3.68Å; C602-F825 HydrophobicContact CB-CD1 3.86Å; C602-F825 HydrophobicContact CB-CG 3.93Å; I605-F825 HydrophobicContact CB-CE2 4.31Å; I605-F825 HydrophobicContact CG2-CD2 4.31Å; I605-F825 HydrophobicContact CG2-CE2 3.57Å; I605-F825 HydrophobicContact CG2-CZ 4.05Å; T606-F825 WeakPolarHBondContact OG1-CA 3.43Å; T606-F825 VanDerWaalsContact OG1-CB 3.32Å; T606-F825 WeakPolarHBondContact OG1-CB 3.35Å; T606-F825 WeakPolarHBondContact OG1-CD2 3.28Å; G821-F825 PolarHBondContact O-N 3.42Å; F822-F825 PolarHBondContact O-N 2.92Å; F823-F825 PolarHBondContact O-N 2.85Å; F825-F827 VanDerWaalsContact C-N 3.32Å; F825-F827 PolarHBondContact O-N 2.88Å; F825-C829 HydrophobicContact CD2-CB 3.69Å; F825-C829 HydrophobicContact CE2-CB 3.91Å; F825-C829 WeakPolarHBondContact O-CA 3.31Å; F825-C829 WeakPolarHBondContact O-CB 3.36Å; F825-C829 PolarHBondContact O-N 2.79Å; F825-L830 HydrophobicContact CD1-CD1 4.14Å; F825-L830 HydrophobicContact CD1-CG 4.37Å; F825-L830 HydrophobicContact CE1-CD1 3.59Å; F825-L830 HydrophobicContact CE1-CD2 4.28Å; F825-L830 HydrophobicContact CE1-CG 3.85Å; F825-L830 HydrophobicContact CE2-CD2 4.27Å; F825-L830 HydrophobicContact CE2-CG 4.14Å; F825-L830 HydrophobicContact CZ-CD1 3.95Å; F825-L830 HydrophobicContact CZ-CD2 3.76Å; F825-L830 HydrophobicContact CZ-CG 3.72Å; F825-L830 PolarHBondContact O-N 3.38Å |
| 826 | L | 84.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 38.9 Ų | 38.9 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -59.8 | -42.4 | -178.8 | 178.5 | 60.3 | 0 | 0 | 0 | 111.6 | F822 F823 L830 L831 | F822-L826 HydrophobicContact CE1-CD2 4.11Å; F822-L826 HydrophobicContact CZ-CD2 4.28Å; F822-L826 WeakPolarHBondContact O-CB 3.34Å; F822-L826 PolarHBondContact O-N 2.94Å; F823-L826 PolarHBondContact O-N 3.21Å; L826-L830 HydrophobicContact CD1-CB 4.38Å; L826-L830 HydrophobicContact CD1-CD1 4.1Å; L826-L830 WeakPolarHBondContact O-CB 3.36Å; L826-L831 HydrophobicContact CD1-CD1 4.05Å; L826-L831 HydrophobicContact CD1-CG 4.19Å; L826-L831 HydrophobicContact CG-CD1 4.05Å; L826-L831 WeakPolarHBondContact O-CB 3.48Å; L826-L831 WeakPolarHBondContact O-CG 3.28Å; L826-L831 PolarHBondContact O-N 2.93Å |
| 827 | F | 80.6 | Confident | 80.6 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -87.6 | -50.7 | -175.4 | -57.4 | -51.2 | 0 | 0 | 0 | 112.6 | V786 I790 F823 F825 L831 N832 | V786-F827 HydrophobicContact CB-CD1 4.33Å; V786-F827 HydrophobicContact CB-CE1 3.97Å; V786-F827 HydrophobicContact CB-CE2 4.42Å; V786-F827 HydrophobicContact CB-CZ 4.02Å; V786-F827 HydrophobicContact CG1-CB 4.42Å; V786-F827 HydrophobicContact CG1-CD1 3.32Å; V786-F827 HydrophobicContact CG1-CD2 3.86Å; V786-F827 HydrophobicContact CG1-CE1 3.44Å; V786-F827 VanDerWaalsContact CG1-CE1 3.44Å; V786-F827 HydrophobicContact CG1-CE2 3.92Å; V786-F827 HydrophobicContact CG1-CG 3.58Å; V786-F827 HydrophobicContact CG1-CZ 3.75Å; V786-F827 HydrophobicContact CG2-CD1 4.19Å; V786-F827 HydrophobicContact CG2-CE1 3.44Å; V786-F827 VanDerWaalsContact CG2-CE1 3.44Å; V786-F827 HydrophobicContact CG2-CE2 4.47Å; V786-F827 HydrophobicContact CG2-CZ 3.62Å; I790-F827 HydrophobicContact CD1-CB 3.9Å; I790-F827 HydrophobicContact CD1-CD2 3.72Å; I790-F827 HydrophobicContact CD1-CG 4.12Å; I790-F827 HydrophobicContact CG1-CD2 4.09Å; F823-F827 HydrophobicContact CB-CD2 4.09Å; F823-F827 HydrophobicContact CB-CE2 3.81Å; F823-F827 AromaticContact CD1-CE2 3.8Å; F823-F827 HydrophobicContact CD1-CE2 3.8Å; F823-F827 HydrophobicContact CD1-CZ 4.24Å; F823-F827 HydrophobicContact CG-CE2 4.2Å; F823-F827 WeakPolarHBondContact O-CD2 3.36Å; F823-F827 WeakPolarHBondContact O-CG 3.47Å; F823-F827 PolarHBondContact O-N 3.14Å; F825-F827 VanDerWaalsContact C-N 3.32Å; F825-F827 PolarHBondContact O-N 2.88Å; F827-L831 HydrophobicContact CD1-CD1 3.73Å; F827-L831 HydrophobicContact CE1-CD1 3.79Å; F827-N832 PolarHBondContact O-N 3.24Å; F827-N832 VanDerWaalsContact O-N 3.14Å |
| 828 | H | 76.9 | Confident | 80 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -83.3 | -18.2 | -174.2 | -65.7 | -42.4 | 0 | 0 | 0 | 114.7 | F610 H627 E675 V824 N832 | F610-H828 HydrophobicContact CZ-CB 3.9Å; H627-H828 AromaticContact CD2-CE1 3.95Å; H627-H828 AromaticContact CD2-CG 3.91Å; H627-H828 AromaticContact CD2-ND1 3.85Å; H627-H828 AromaticContact CE1-CE1 3.41Å; H627-H828 PolarHBondContact CE1-CE1 3.11Å; H627-H828 VanDerWaalsContact CE1-CE1 3.41Å; H627-H828 AromaticContact CE1-NE2 3.41Å; H627-H828 PolarHBondContact CE1-NE2 3.35Å; H627-H828 AromaticContact ND1-NE2 3.74Å; H627-H828 AromaticContact NE2-CE1 3.26Å; H627-H828 PolarHBondContact NE2-CE1 2.91Å; H627-H828 VanDerWaalsContact NE2-CE1 3.26Å; H627-H828 AromaticContact NE2-CG 3.97Å; H627-H828 AromaticContact NE2-ND1 3.48Å; H627-H828 PolarHBondContact NE2-ND1 3.13Å; H627-H828 AromaticContact NE2-NE2 3.61Å; E675-H828 IonicContact OE1-CD2 3.5Å; E675-H828 IonicContact OE1-CE1 3.42Å; E675-H828 PolarHBondContact OE1-CE1 3.2Å; E675-H828 IonicContact OE1-NE2 3.3Å; E675-H828 PolarHBondContact OE1-NE2 3.35Å; V824-H828 WeakPolarHBondContact O-CB 3.25Å; V824-H828 PolarHBondContact O-N 3.04Å; H828-N832 WeakPolarHBondContact O-CB 3.35Å |
| 829 | C | 79.4 | Confident | 79.3 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.054 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -111.7 | -53.3 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 114 | T609 F825 V835 | T609-C829 HydrophobicContact CG2-CB 4.46Å; F825-C829 HydrophobicContact CD2-CB 3.69Å; F825-C829 HydrophobicContact CE2-CB 3.91Å; F825-C829 WeakPolarHBondContact O-CA 3.31Å; F825-C829 WeakPolarHBondContact O-CB 3.36Å; F825-C829 PolarHBondContact O-N 2.79Å; C829-V835 VanDerWaalsContact O-CG1 3.31Å; C829-V835 WeakPolarHBondContact O-CG1 3.24Å |
| 830 | L | 78.9 | Confident | 78.6 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -75.9 | -51.8 | -173.5 | -67.3 | -178.8 | 0 | 0 | 0 | 112.6 | F825 L826 R836 | F825-L830 HydrophobicContact CD1-CD1 4.14Å; F825-L830 HydrophobicContact CD1-CG 4.37Å; F825-L830 HydrophobicContact CE1-CD1 3.59Å; F825-L830 HydrophobicContact CE1-CD2 4.28Å; F825-L830 HydrophobicContact CE1-CG 3.85Å; F825-L830 HydrophobicContact CE2-CD2 4.27Å; F825-L830 HydrophobicContact CE2-CG 4.14Å; F825-L830 HydrophobicContact CZ-CD1 3.95Å; F825-L830 HydrophobicContact CZ-CD2 3.76Å; F825-L830 HydrophobicContact CZ-CG 3.72Å; F825-L830 PolarHBondContact O-N 3.38Å; L826-L830 HydrophobicContact CD1-CB 4.38Å; L826-L830 HydrophobicContact CD1-CD1 4.1Å; L826-L830 WeakPolarHBondContact O-CB 3.36Å; L830-R836 PolarHBondContact O-NE 2.88Å; L830-R836 PolarHBondContact O-NH2 3.42Å |
| 831 | L | 73 | Confident | 77.8 | Confident | 97 Ų | 97 | 53.9 Ų | 53.9 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -84.6 | -19.7 | -174.5 | -66.5 | 175.8 | 0 | 0 | 0 | 113.6 | L826 F827 S833 | L826-L831 HydrophobicContact CD1-CD1 4.05Å; L826-L831 HydrophobicContact CD1-CG 4.19Å; L826-L831 HydrophobicContact CG-CD1 4.05Å; L826-L831 WeakPolarHBondContact O-CB 3.48Å; L826-L831 WeakPolarHBondContact O-CG 3.28Å; L826-L831 PolarHBondContact O-N 2.93Å; F827-L831 HydrophobicContact CD1-CD1 3.73Å; F827-L831 HydrophobicContact CE1-CD1 3.79Å; L831-S833 PolarHBondContact O-N 3.38Å |
| 832 | N | 73.3 | Confident | 76.8 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | trans | -57.4 | 122.8 | 171.2 | -176 | -56.2 | 0 | 0 | 0 | 111.7 | F827 H828 E834 V835 R836 | F827-N832 PolarHBondContact O-N 3.24Å; F827-N832 VanDerWaalsContact O-N 3.14Å; H828-N832 WeakPolarHBondContact O-CB 3.35Å; N832-E834 WeakPolarHBondContact OD1-CA 3.31Å; N832-E834 WeakPolarHBondContact OD1-CB 3.48Å; N832-E834 PolarHBondContact OD1-N 3.41Å; N832-V835 HydrophobicContact CB-CB 4.13Å; N832-V835 HydrophobicContact CB-CG2 4.05Å; N832-V835 WeakPolarHBondContact OD1-CG2 3.31Å; N832-V835 PolarHBondContact OD1-N 2.58Å; N832-R836 WeakPolarHBondContact O-CB 3.32Å; N832-R836 PolarHBondContact O-N 3.29Å | ||
| 833 | S | 68.7 | Low | 75.9 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75.5 | -33.9 | -176.4 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | L831 R836 A837 D892 | L831-S833 PolarHBondContact O-N 3.38Å; S833-R836 PolarHBondContact O-N 3.27Å; S833-A837 VanDerWaalsContact O-CB 3.31Å; S833-A837 WeakPolarHBondContact O-CB 3.48Å; S833-A837 PolarHBondContact O-N 3.49Å; S833-D892 VanDerWaalsContact CB-OD1 3.24Å; S833-D892 WeakPolarHBondContact CB-OD1 3.3Å; S833-D892 PolarHBondContact OG-OD1 3.22Å |
| 834 | E | 71.1 | Confident | 75 | Confident | 74 Ų | 74 | 63.6 Ų | 63.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.1 | -50.1 | 175.5 | -51.1 | 179.9 | 150.5 | 0 | 0 | 110.9 | Y624 N832 R836 A837 A838 | Y624-E834 PolarHBondContact OH-OE2 3.13Å; Y624-E834 VanDerWaalsContact OH-OE2 3.11Å; N832-E834 WeakPolarHBondContact OD1-CA 3.31Å; N832-E834 WeakPolarHBondContact OD1-CB 3.48Å; N832-E834 PolarHBondContact OD1-N 3.41Å; E834-R836 VanDerWaalsContact C-N 3.32Å; E834-R836 PolarHBondContact O-N 3.42Å; E834-A837 WeakPolarHBondContact O-CB 3.45Å; E834-A837 PolarHBondContact O-N 2.83Å; E834-A837 VanDerWaalsContact O-N 3.13Å; E834-A838 WeakPolarHBondContact O-CB 3.4Å; E834-A838 PolarHBondContact O-N 3.21Å |
| 835 | V | 73.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 110 | T609 L613 Y624 C829 N832 A837 A838 F839 | T609-V835 HydrophobicContact CG2-CG1 4.19Å; L613-V835 HydrophobicContact CD1-CB 4.35Å; L613-V835 HydrophobicContact CD1-CG1 4.02Å; L613-V835 HydrophobicContact CD1-CG2 3.84Å; Y624-V835 HydrophobicContact CE1-CG2 4.41Å; C829-V835 VanDerWaalsContact O-CG1 3.31Å; C829-V835 WeakPolarHBondContact O-CG1 3.24Å; N832-V835 HydrophobicContact CB-CB 4.13Å; N832-V835 HydrophobicContact CB-CG2 4.05Å; N832-V835 WeakPolarHBondContact OD1-CG2 3.31Å; N832-V835 PolarHBondContact OD1-N 2.58Å; V835-A837 VanDerWaalsContact C-N 3.33Å; V835-A837 PolarHBondContact O-N 2.68Å; V835-A838 PolarHBondContact O-N 3.34Å; V835-F839 HydrophobicContact CG1-CD2 3.78Å; V835-F839 HydrophobicContact CG1-CE2 3.8Å; V835-F839 WeakPolarHBondContact O-CD2 3.44Å; V835-F839 PolarHBondContact O-N 3.24Å |
| 836 | R | 76.1 | Confident | 72.9 | Confident | 132 Ų | 132 | 74.1 Ų | 74.1 | 50% | 0.498 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 177.7 | -166.8 | -176.5 | -65.9 | -131.6 | 10.7 | 112.5 | L830 N832 S833 E834 K840 | L830-R836 PolarHBondContact O-NE 2.88Å; L830-R836 PolarHBondContact O-NH2 3.42Å; N832-R836 WeakPolarHBondContact O-CB 3.32Å; N832-R836 PolarHBondContact O-N 3.29Å; S833-R836 PolarHBondContact O-N 3.27Å; E834-R836 VanDerWaalsContact C-N 3.32Å; E834-R836 PolarHBondContact O-N 3.42Å; R836-K840 WeakPolarHBondContact O-CB 3.46Å; R836-K840 PolarHBondContact O-N 2.86Å |
| 837 | A | 74.1 | Confident | 71.8 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 49% | 0.488 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S833 E834 V835 K840 H841 | S833-A837 VanDerWaalsContact O-CB 3.31Å; S833-A837 WeakPolarHBondContact O-CB 3.48Å; S833-A837 PolarHBondContact O-N 3.49Å; E834-A837 WeakPolarHBondContact O-CB 3.45Å; E834-A837 PolarHBondContact O-N 2.83Å; E834-A837 VanDerWaalsContact O-N 3.13Å; V835-A837 VanDerWaalsContact C-N 3.33Å; V835-A837 PolarHBondContact O-N 2.68Å; A837-K840 PolarHBondContact O-N 2.94Å; A837-H841 WeakPolarHBondContact O-CB 3.39Å; A837-H841 PolarHBondContact O-N 3.32Å |
| 838 | A | 71.5 | Confident | 70.8 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L613 E834 V835 H841 K842 | L613-A838 HydrophobicContact CD2-CB 3.58Å; E834-A838 WeakPolarHBondContact O-CB 3.4Å; E834-A838 PolarHBondContact O-N 3.21Å; V835-A838 PolarHBondContact O-N 3.34Å; A838-H841 PolarHBondContact O-N 2.87Å; A838-K842 WeakPolarHBondContact O-CB 3.49Å; A838-K842 PolarHBondContact O-N 3.15Å |
| 839 | F | 72.9 | Confident | 69.9 | Low | 87 Ų | 87 | 81.7 Ų | 81.7 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 172.5 | -85.5 | -68.9 | 0 | 0 | 0 | 112.9 | T609 V835 H841 K842 T843 | T609-F839 HydrophobicContact CG2-CE2 3.63Å; T609-F839 HydrophobicContact CG2-CZ 3.92Å; V835-F839 HydrophobicContact CG1-CD2 3.78Å; V835-F839 HydrophobicContact CG1-CE2 3.8Å; V835-F839 WeakPolarHBondContact O-CD2 3.44Å; V835-F839 PolarHBondContact O-N 3.24Å; F839-H841 VanDerWaalsContact C-N 3.31Å; F839-H841 PolarHBondContact O-N 3Å; F839-K842 PolarHBondContact O-N 2.83Å; F839-T843 WeakPolarHBondContact O-CB 3.37Å; F839-T843 PolarHBondContact O-N 3.47Å; F839-T843 PolarHBondContact O-OG1 2.76Å |
| 840 | K | 73.9 | Confident | 68.6 | Low | 161 Ų | 161 | 84.6 Ų | 84.6 | 70% | 0.7 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.7 | -35.7 | 175.1 | -170.1 | 176.7 | -179.7 | -176.5 | 0 | 112.1 | R836 A837 T843 K844 | R836-K840 WeakPolarHBondContact O-CB 3.46Å; R836-K840 PolarHBondContact O-N 2.86Å; A837-K840 PolarHBondContact O-N 2.94Å; K840-T843 WeakPolarHBondContact CA-OG1 3.5Å; K840-T843 PolarHBondContact O-OG1 3.33Å; K840-K844 WeakPolarHBondContact O-CB 3.47Å; K840-K844 PolarHBondContact O-N 2.85Å |
| 841 | H | 69.5 | Low | 67.4 | Low | 125 Ų | 125 | 83.4 Ų | 83.4 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.6 | -49.9 | 172.2 | -175.7 | -114.3 | 0 | 0 | 0 | 111 | A837 A838 F839 T843 K844 V845 | A837-H841 WeakPolarHBondContact O-CB 3.39Å; A837-H841 PolarHBondContact O-N 3.32Å; A838-H841 PolarHBondContact O-N 2.87Å; F839-H841 VanDerWaalsContact C-N 3.31Å; F839-H841 PolarHBondContact O-N 3Å; H841-T843 PolarHBondContact O-N 3.19Å; H841-K844 PolarHBondContact O-N 3.44Å; H841-V845 WeakPolarHBondContact O-CG2 3.39Å; H841-V845 PolarHBondContact O-N 2.93Å |
| 842 | K | 67.4 | Low | 66.3 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 179.5 | -85.3 | -73.9 | -178 | 173.6 | 0 | 113.6 | V616 A838 F839 K844 V845 W846 | V616-K842 VanDerWaalsContact CG2-CE 3.44Å; A838-K842 WeakPolarHBondContact O-CB 3.49Å; A838-K842 PolarHBondContact O-N 3.15Å; F839-K842 PolarHBondContact O-N 2.83Å; K842-K844 VanDerWaalsContact C-N 3.34Å; K842-K844 PolarHBondContact O-N 3.1Å; K842-V845 PolarHBondContact O-N 3.22Å; K842-W846 WeakPolarHBondContact O-CB 3.39Å; K842-W846 PolarHBondContact O-N 3.21Å |
| 843 | T | 70.8 | Confident | 65.1 | Low | 88 Ų | 88 | 87.1 Ų | 87.1 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 175.3 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | F839 K840 H841 S847 | F839-T843 WeakPolarHBondContact O-CB 3.37Å; F839-T843 PolarHBondContact O-N 3.47Å; F839-T843 PolarHBondContact O-OG1 2.76Å; K840-T843 WeakPolarHBondContact CA-OG1 3.5Å; K840-T843 PolarHBondContact O-OG1 3.33Å; H841-T843 PolarHBondContact O-N 3.19Å; T843-S847 PolarHBondContact O-N 2.83Å; T843-S847 PolarHBondContact O-OG 2.96Å |
| 844 | K | 67.1 | Low | 64.2 | Low | 139 Ų | 139 | 94.5 Ų | 94.5 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.2 | -38.6 | 171.6 | -170.1 | -179.3 | 179.6 | -173.4 | 0 | 112.5 | K840 H841 K842 S847 L848 | K840-K844 WeakPolarHBondContact O-CB 3.47Å; K840-K844 PolarHBondContact O-N 2.85Å; H841-K844 PolarHBondContact O-N 3.44Å; K842-K844 VanDerWaalsContact C-N 3.34Å; K842-K844 PolarHBondContact O-N 3.1Å; K844-S847 PolarHBondContact O-OG 3.26Å; K844-S847 VanDerWaalsContact O-OG 3.1Å; K844-L848 HydrophobicContact CG-CD1 4.26Å; K844-L848 WeakPolarHBondContact O-CD1 3.43Å; K844-L848 VanDerWaalsContact O-CG 3.23Å; K844-L848 WeakPolarHBondContact O-CG 3.4Å; K844-L848 PolarHBondContact O-N 2.88Å |
| 845 | V | 66.9 | Low | 63.1 | Low | 53 Ų | 53 | 97 Ų | 97 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | H841 K842 S847 L848 T849 | H841-V845 WeakPolarHBondContact O-CG2 3.39Å; H841-V845 PolarHBondContact O-N 2.93Å; K842-V845 PolarHBondContact O-N 3.22Å; V845-S847 PolarHBondContact O-N 3.47Å; V845-L848 PolarHBondContact O-N 3.24Å; V845-L848 VanDerWaalsContact O-N 3.17Å; V845-T849 PolarHBondContact O-N 3.19Å; V845-T849 PolarHBondContact O-OG1 2.87Å; V845-T849 VanDerWaalsContact O-OG1 3.09Å |
| 846 | W | 60.4 | Low | 61.8 | Low | 199 Ų | 199 | 100.8 Ų | 100.8 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 178 | -95.8 | 25.4 | 0 | 0 | 0 | 113.4 | K842 L848 T849 S850 | K842-W846 WeakPolarHBondContact O-CB 3.39Å; K842-W846 PolarHBondContact O-N 3.21Å; W846-L848 VanDerWaalsContact C-N 3.33Å; W846-T849 PolarHBondContact O-N 3.1Å; W846-S850 WeakPolarHBondContact O-CB 3.43Å; W846-S850 PolarHBondContact O-N 3.09Å |
| 847 | S | 62.7 | Low | 60.3 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.7 | -30.5 | 174.5 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | T843 K844 V845 S851 | T843-S847 PolarHBondContact O-N 2.83Å; T843-S847 PolarHBondContact O-OG 2.96Å; K844-S847 PolarHBondContact O-OG 3.26Å; K844-S847 VanDerWaalsContact O-OG 3.1Å; V845-S847 PolarHBondContact O-N 3.47Å; S847-S851 WeakPolarHBondContact O-CB 3.42Å; S847-S851 PolarHBondContact O-N 2.83Å; S847-S851 VanDerWaalsContact O-N 3.08Å; S847-S851 PolarHBondContact O-OG 2.85Å |
| 848 | L | 59.9 | Low | 59.2 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.6 | -41 | 171.6 | -70.4 | 168.6 | 0 | 0 | 0 | 112.3 | K844 V845 W846 S851 S852 | K844-L848 HydrophobicContact CG-CD1 4.26Å; K844-L848 WeakPolarHBondContact O-CD1 3.43Å; K844-L848 VanDerWaalsContact O-CG 3.23Å; K844-L848 WeakPolarHBondContact O-CG 3.4Å; K844-L848 PolarHBondContact O-N 2.88Å; V845-L848 PolarHBondContact O-N 3.24Å; V845-L848 VanDerWaalsContact O-N 3.17Å; W846-L848 VanDerWaalsContact C-N 3.33Å; L848-S851 WeakPolarHBondContact CA-OG 3.23Å; L848-S851 PolarHBondContact O-OG 3.17Å; L848-S852 VanDerWaalsContact O-CB 3.3Å; L848-S852 WeakPolarHBondContact O-CB 3.48Å; L848-S852 PolarHBondContact O-N 3.22Å |
| 849 | T | 56.8 | Low | 57.5 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -43.1 | 174.2 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | V845 W846 S851 S852 I853 | V845-T849 PolarHBondContact O-N 3.19Å; V845-T849 PolarHBondContact O-OG1 2.87Å; V845-T849 VanDerWaalsContact O-OG1 3.09Å; W846-T849 PolarHBondContact O-N 3.1Å; T849-S851 PolarHBondContact O-N 3.48Å; T849-S852 PolarHBondContact O-N 3.24Å; T849-I853 HydrophobicContact CG2-CD1 4.07Å; T849-I853 WeakPolarHBondContact O-CG1 3.2Å; T849-I853 PolarHBondContact O-N 3.04Å |
| 850 | S | 53.3 | Low | 56.5 | Low | 69 Ų | 69 | 113.3 Ų | 113.3 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.7 | -39.4 | 177.8 | -177 | 0 | 0 | 0 | 0 | 112.8 | W846 R854 | W846-S850 WeakPolarHBondContact O-CB 3.43Å; W846-S850 PolarHBondContact O-N 3.09Å; S850-R854 PolarHBondContact O-N 2.95Å |
| 851 | S | 52.7 | Low | 54.4 | Low | 53 Ų | 53 | 114.6 Ų | 114.6 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.7 | -33.6 | 174.2 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | S847 L848 T849 R854 N855 | S847-S851 WeakPolarHBondContact O-CB 3.42Å; S847-S851 PolarHBondContact O-N 2.83Å; S847-S851 VanDerWaalsContact O-N 3.08Å; S847-S851 PolarHBondContact O-OG 2.85Å; L848-S851 WeakPolarHBondContact CA-OG 3.23Å; L848-S851 PolarHBondContact O-OG 3.17Å; T849-S851 PolarHBondContact O-N 3.48Å; S851-R854 PolarHBondContact O-N 3.29Å; S851-N855 PolarHBondContact O-N 3.44Å; S851-N855 VanDerWaalsContact O-N 3.08Å |
| 852 | S | 49.8 | Very low | 52.8 | Low | 79 Ų | 79 | 115.2 Ų | 115.2 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | L848 T849 R854 N855 A856 | L848-S852 VanDerWaalsContact O-CB 3.3Å; L848-S852 WeakPolarHBondContact O-CB 3.48Å; L848-S852 PolarHBondContact O-N 3.22Å; T849-S852 PolarHBondContact O-N 3.24Å; S852-R854 VanDerWaalsContact C-N 3.34Å; S852-R854 PolarHBondContact O-N 3.44Å; S852-N855 PolarHBondContact O-N 3.49Å; S852-A856 PolarHBondContact O-N 3.17Å |
| 853 | I | 49.3 | Very low | 51.4 | Low | 112 Ų | 112 | 115.6 Ų | 115.6 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -36.6 | 175.7 | -70 | 166.1 | 0 | 0 | 0 | 111.6 | T849 | T849-I853 HydrophobicContact CG2-CD1 4.07Å; T849-I853 WeakPolarHBondContact O-CG1 3.2Å; T849-I853 PolarHBondContact O-N 3.04Å |
| 854 | R | 49.5 | Very low | 49.8 | Very low | 193 Ų | 193 | 118.3 Ų | 118.3 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.9 | -39.7 | 173 | -75 | -172.8 | 176.6 | -170.4 | -1.4 | 112.7 | S850 S851 S852 | S850-R854 PolarHBondContact O-N 2.95Å; S851-R854 PolarHBondContact O-N 3.29Å; S852-R854 VanDerWaalsContact C-N 3.34Å; S852-R854 PolarHBondContact O-N 3.44Å |
| 855 | N | 46.4 | Very low | 48.2 | Very low | 128 Ų | 128 | 119 Ų | 119 | 68% | 0.684 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.9 | -21.5 | -178.8 | -71.7 | -2 | 0 | 0 | 0 | 113.6 | S851 S852 N857 V858 | S851-N855 PolarHBondContact O-N 3.44Å; S851-N855 VanDerWaalsContact O-N 3.08Å; S852-N855 PolarHBondContact O-N 3.49Å; N855-N857 PolarHBondContact O-N 2.97Å; N855-V858 PolarHBondContact O-N 3.14Å |
| 856 | A | 46.4 | Very low | 46.6 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65 | -23 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S852 V858 | S852-A856 PolarHBondContact O-N 3.17Å; A856-V858 PolarHBondContact O-N 2.78Å |
| 857 | N | 45.9 | Very low | 45.1 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 7.7 | -178.6 | -83.5 | -8 | 0 | 0 | 0 | 114.8 | N855 | N855-N857 PolarHBondContact O-N 2.97Š|
| 858 | V | 50.7 | Low | 43.6 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | trans | -135.7 | 86.6 | -177 | -169 | 0 | 0 | 0 | 0 | 113.3 | N855 A856 | N855-V858 PolarHBondContact O-N 3.14Å; A856-V858 PolarHBondContact O-N 2.78Å | ||
| 859 | K | 35.2 | Very low | 42.2 | Very low | 206 Ų | 206 | 125.9 Ų | 125.9 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | trans | -150.5 | 157.2 | 142.7 | -96.8 | -144.8 | 171.7 | -177.4 | 0 | 111.1 | ||||
| 860 | P | 52.9 | Low | 41 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | trans | -128.3 | 178.4 | -140.5 | 42.9 | -29.9 | 0 | 0 | 0 | 115.2 | ||||
| 861 | F | 29.6 | Very low | 39.7 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -144.7 | 124.5 | 154.9 | -102.9 | -85 | 0 | 0 | 0 | 110.6 | ||||
| 862 | N | 34.5 | Very low | 38.7 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | 38.8 | 145.5 | 141 | -62.7 | 9.4 | 0 | 0 | 0 | 121.9 | ||||
| 863 | S | 38.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -173.9 | 156.9 | -5.9 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 864 | D | 36 | Very low | 37.1 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 77.5 | 149.1 | 142.5 | -66.8 | -15.8 | 0 | 0 | 0 | 125.9 | ||||
| 865 | I | 33.7 | Very low | 37 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 94.1 | 112.4 | 159.1 | -67.7 | 150.8 | 0 | 0 | 0 | 120 | ||||
| 866 | M | 33.7 | Very low | 36.3 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | 29.4 | 144.7 | 143.5 | -57.4 | -175 | 160 | 0 | 0 | 120.6 | ||||
| 867 | N | 29.4 | Very low | 35.4 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | cis | -167.1 | 175.5 | 22.4 | -152.4 | -16 | 0 | 0 | 0 | 109.7 | ||||
| 868 | G | 30.8 | Very low | 34.7 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 132.6 | 129.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 869 | N | 30.4 | Very low | 33.6 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -85.7 | 157.2 | -168.8 | -104 | -22.2 | 0 | 0 | 0 | 116.9 | ||||
| 870 | K | 31.5 | Very low | 33.2 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | trans | 82.6 | 126.3 | 140.9 | -87.7 | -179 | 166 | -104.7 | 0 | 123.4 | ||||
| 871 | E | 27.5 | Very low | 32 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 56.5 | 123.9 | 130.9 | -70.9 | 160.1 | -157.5 | 0 | 0 | 122.2 | ||||
| 872 | G | 30.4 | Very low | 32.2 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 154.1 | 119.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 873 | V | 31.3 | Very low | 32 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 60.3 | 98.9 | 138.5 | -168.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 874 | T | 35.4 | Very low | 31.8 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 149.3 | 136.9 | 55.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 875 | P | 47.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | -158.7 | 170.6 | 81.1 | 41.4 | -21.4 | 0 | 0 | 0 | 118.8 | |||||
| 876 | T | 30.7 | Very low | 31.3 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 67.8 | 156.1 | 155.4 | 45 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 877 | K | 28 | Very low | 31.6 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | cis | -137.7 | 148 | 10.5 | -145.2 | 165.7 | -172.6 | 174.6 | 0 | 113.1 | ||||
| 878 | M | 30.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | -90.1 | 160.8 | 177 | 176.5 | 169.4 | 152 | 0 | 0 | 111.2 | T880 | M878-T880 HydrophobicContact CE-CG2 3.55Å; M878-T880 HydrophobicContact CG-CG2 4.12Å | ||
| 879 | N | 27.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | 160.8 | 100.2 | 138 | -79.1 | -2.2 | 0 | 0 | 0 | 109.8 | ||||
| 880 | T | 28.4 | Very low | 31.6 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 49% | 0.485 | 76% | 0.759 | S | S | . | * | 63 | 116.6 | 81.5 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | M878 | M878-T880 HydrophobicContact CE-CG2 3.55Å; M878-T880 HydrophobicContact CG-CG2 4.12Å | |||
| 881 | W | 27.8 | Very low | 31.7 | Very low | 217 Ų | 217 | 140.4 Ų | 140.4 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | -165.8 | 132.7 | 59.4 | -96 | 97.6 | 0 | 0 | 0 | 113 | |||||
| 882 | D | 32.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -90.7 | 132.1 | 156.5 | -103.1 | -54.9 | 0 | 0 | 0 | 109.7 | ||||
| 883 | K | 30.9 | Very low | 32.2 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | trans | -157.7 | 129.6 | 141.7 | -120.7 | 172.3 | -174.1 | 179.3 | 0 | 113.3 | ||||
| 884 | S | 34.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | -68.6 | 149 | 175.2 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 885 | T | 31.2 | Very low | 32.5 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | -172.4 | 129.1 | 99 | 34.4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 886 | N | 28 | Very low | 31.8 | Very low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 68% | 0.684 | S | S | * | * | trans | -164.1 | 92.6 | 149.3 | -112.4 | -37 | 0 | 0 | 0 | 110.8 | A888 | N886-A888 PolarHBondContact O-N 2.92Å; N886-A888 VanDerWaalsContact O-N 3.14Å | ||
| 887 | S | 40.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | -81.4 | 77.9 | 173 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 888 | A | 28.8 | Very low | 32 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | trans | -82.4 | 127.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N886 R890 | N886-A888 PolarHBondContact O-N 2.92Å; N886-A888 VanDerWaalsContact O-N 3.14Å; A888-R890 PolarHBondContact O-N 3.08Å; A888-R890 VanDerWaalsContact O-N 3.14Å | ||
| 889 | N | 32 | Very low | 32.1 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -60.5 | 116.6 | -178.2 | -79.3 | -23 | 0 | 0 | 0 | 111.4 | F891 | N889-F891 HydrophobicContact CB-CD2 4.46Å; N889-F891 HydrophobicContact CB-CE2 3.88Å; N889-F891 HydrophobicContact CB-CZ 4.23Å; N889-F891 WeakPolarHBondContact O-CD2 3.34Å; N889-F891 PolarHBondContact O-N 2.99Å | ||
| 890 | R | 30 | Very low | 32.4 | Very low | 227 Ų | 227 | 123.6 Ų | 123.6 | 86% | 0.857 | 66% | 0.663 | S | S | * | * | trans | -91.6 | 83.6 | -176.4 | -165.9 | -174 | -153.4 | 161.4 | 11.5 | 110.2 | A888 | A888-R890 PolarHBondContact O-N 3.08Å; A888-R890 VanDerWaalsContact O-N 3.14Å | ||
| 891 | F | 32.2 | Very low | 32.6 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 135.3 | 175.5 | -67.3 | -80.5 | 0 | 0 | 0 | 111.4 | L779 N889 | L779-F891 HydrophobicContact CD2-CB 4.26Å; N889-F891 HydrophobicContact CB-CD2 4.46Å; N889-F891 HydrophobicContact CB-CE2 3.88Å; N889-F891 HydrophobicContact CB-CZ 4.23Å; N889-F891 WeakPolarHBondContact O-CD2 3.34Å; N889-F891 PolarHBondContact O-N 2.99Å | ||
| 892 | D | 32.9 | Very low | 33 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 54% | 0.535 | 66% | 0.664 | S | S | . | * | trans | -93.3 | 144.9 | -179.9 | -166.3 | 11.9 | 0 | 0 | 0 | 110.9 | S833 S894 | S833-D892 VanDerWaalsContact CB-OD1 3.24Å; S833-D892 WeakPolarHBondContact CB-OD1 3.3Å; S833-D892 PolarHBondContact OG-OD1 3.22Å; D892-S894 PolarHBondContact OD1-N 3.46Å; D892-S894 PolarHBondContact OD1-OG 3.24Å; D892-S894 WeakPolarHBondContact OD2-CB 3.49Å; D892-S894 PolarHBondContact OD2-OG 3.08Å | ||
| 893 | L | 36.1 | Very low | 33 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 59% | 0.592 | 65% | 0.652 | S | S | * | * | trans | -118.7 | 9.8 | 179.6 | -78.7 | 165.6 | 0 | 0 | 0 | 112.1 | A783 A895 | A783-L893 HydrophobicContact CB-CD2 4.44Å; L893-A895 PolarHBondContact O-N 3.48Å | ||
| 894 | S | 35.2 | Very low | 33.1 | Very low | 27 Ų | 27 | 112.5 Ų | 112.5 | 19% | 0.189 | 64% | 0.64 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -52.9 | -36.6 | 176 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | R623 D892 V896 | R623-S894 PolarHBondContact NH1-O 3.31Å; D892-S894 PolarHBondContact OD1-N 3.46Å; D892-S894 PolarHBondContact OD1-OG 3.24Å; D892-S894 WeakPolarHBondContact OD2-CB 3.49Å; D892-S894 PolarHBondContact OD2-OG 3.08Å; S894-V896 PolarHBondContact O-N 3.14Å; S894-V896 VanDerWaalsContact O-N 3.16Å |
| 895 | A | 37.5 | Very low | 33 | Very low | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 16.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | M682 L893 | M682-A895 WeakPolarHBondContact CE-O 3.43Å; L893-A895 PolarHBondContact O-N 3.48Å |
| 896 | V | 32 | Very low | 33.2 | Very low | 45 Ų | 45 | 112.5 Ų | 112.5 | 27% | 0.273 | 62% | 0.622 | S | S | . | * | trans | -133.9 | 0 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 108 | R623 L679 M682 I760 L787 S894 | R623-V896 PolarHBondContact NH2-O 3.46Å; R623-V896 PolarHBondContact NH2-OXT 3.32Å; L679-V896 HydrophobicContact CD1-CG1 3.95Å; L679-V896 VanDerWaalsContact CD1-OXT 3.3Å; L679-V896 WeakPolarHBondContact CD1-OXT 3.4Å; M682-V896 WeakPolarHBondContact CE-OXT 3.5Å; I760-V896 HydrophobicContact CD1-CG1 4.49Å; I760-V896 HydrophobicContact CD1-CG2 4.04Å; L787-V896 HydrophobicContact CD1-CG1 3.87Å; L787-V896 HydrophobicContact CD2-CG1 4.29Å; S894-V896 PolarHBondContact O-N 3.14Å; S894-V896 VanDerWaalsContact O-N 3.16Å |
Retrieved 896 of 896 residues in 260.2 ms
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