| 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 | 62.4 | Low | 57.3 | Low | 60 Ų | 60 | 71.8 Ų | 71.8 | 30% | 0.296 | 38% | 0.378 | S | S | . | . | 0 | -46.7 | 0 | -76.2 | 179.8 | 73.8 | 0 | 0 | 113 | Q3 L4 L5 L44 I45 W48 | M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.14Å; M1-L5 HydrophobicContact CB-CD1 4.31Å; M1-L5 HydrophobicContact CE-CD1 3.25Å; M1-L5 HydrophobicContact CE-CG 4.42Å; M1-L5 HydrophobicContact CG-CD1 4.48Å; M1-L5 WeakPolarHBondContact O-CB 3.4Å; M1-L5 PolarHBondContact O-N 3.23Å; M1-L44 WeakPolarHBondContact CE-O 3.44Å; M1-L44 HydrophobicContact SD-CB 3.84Å; M1-I45 HydrophobicContact CE-CG1 4.15Å; M1-W48 HydrophobicContact CB-CD2 4.24Å; M1-W48 HydrophobicContact CB-CG 3.91Å; M1-W48 HydrophobicContact CE-CB 3.19Å; M1-W48 HydrophobicContact CE-CD2 3.75Å; M1-W48 HydrophobicContact CE-CE3 4.08Å; M1-W48 HydrophobicContact CE-CG 3.39Å; M1-W48 HydrophobicContact SD-CB 3.6Å; M1-W48 HydrophobicContact SD-CG 3.86Å | |||
| 2 | D | 62.9 | Low | 56.5 | Low | 77 Ų | 77 | 71.1 Ų | 71.1 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.2 | -37.8 | -179.1 | -63.5 | -41.2 | 0 | 0 | 0 | 114.7 | L4 G6 W48 | D2-L4 PolarHBondContact O-N 3.09Å; D2-G6 WeakPolarHBondContact O-CA 3.43Å; D2-G6 PolarHBondContact O-N 3.23Å; D2-W48 WeakPolarHBondContact OD1-CZ2 3.49Å; D2-W48 PolarHBondContact OD1-NE1 3.14Å |
| 3 | Q | 63.7 | Low | 56.1 | Low | 194 Ų | 194 | 74.2 Ų | 74.2 | 91% | 0.907 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.4 | -33.7 | 175.3 | -73.5 | -175.5 | -13.7 | 0 | 0 | 113.6 | M1 | M1-Q3 VanDerWaalsContact C-N 3.29Å; M1-Q3 PolarHBondContact O-N 3.48Å |
| 4 | L | 60.5 | Low | 55.9 | Low | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -83.8 | -40.5 | -178.6 | -80 | 153.3 | 0 | 0 | 0 | 111.6 | M1 D2 L31 Y34 | M1-L4 PolarHBondContact O-N 3.14Å; D2-L4 PolarHBondContact O-N 3.09Å; L4-L31 HydrophobicContact CD1-CD2 3.91Å; L4-Y34 HydrophobicContact CD1-CE2 4.07Å; L4-Y34 HydrophobicContact CD2-CE2 4.41Å |
| 5 | L | 58.8 | Low | 55.8 | Low | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -105.4 | -17.7 | -170.1 | -56.8 | -168.2 | 0 | 0 | 0 | 114.3 | M1 P7 F8 C9 L27 W48 | M1-L5 HydrophobicContact CB-CD1 4.31Å; M1-L5 HydrophobicContact CE-CD1 3.25Å; M1-L5 HydrophobicContact CE-CG 4.42Å; M1-L5 HydrophobicContact CG-CD1 4.48Å; M1-L5 WeakPolarHBondContact O-CB 3.4Å; M1-L5 PolarHBondContact O-N 3.23Å; L5-P7 VanDerWaalsContact C-N 3.26Å; L5-F8 WeakPolarHBondContact O-CA 3.4Å; L5-F8 WeakPolarHBondContact O-CB 3.49Å; L5-F8 PolarHBondContact O-N 3.45Å; L5-C9 PolarHBondContact O-N 2.61Å; L5-C9 VanDerWaalsContact O-N 3.1Å; L5-L27 HydrophobicContact CD1-CD1 3.87Å; L5-L27 HydrophobicContact CD2-CB 4.48Å; L5-L27 HydrophobicContact CD2-CD1 3.55Å; L5-L27 HydrophobicContact CD2-CD2 3.09Å; L5-L27 HydrophobicContact CD2-CG 3.8Å; L5-L27 HydrophobicContact CG-CD1 4.39Å; L5-W48 HydrophobicContact CB-CE3 4.37Å; L5-W48 HydrophobicContact CB-CH2 3.2Å; L5-W48 HydrophobicContact CB-CZ2 3.61Å; L5-W48 HydrophobicContact CB-CZ3 3.66Å; L5-W48 HydrophobicContact CD1-CD2 3.89Å; L5-W48 HydrophobicContact CD1-CE3 3.5Å; L5-W48 VanDerWaalsContact CD1-CE3 3.5Å; L5-W48 HydrophobicContact CD1-CH2 3.91Å; L5-W48 HydrophobicContact CD1-CZ2 4.29Å; L5-W48 HydrophobicContact CD1-CZ3 3.51Å; L5-W48 HydrophobicContact CG-CH2 4.2Å; L5-W48 HydrophobicContact CG-CZ3 4.26Å |
| 6 | G | 57.9 | Low | 55.9 | Low | 25 Ų | 25 | 74 Ų | 74 | 26% | 0.258 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -49 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2 F8 C9 S10 | D2-G6 WeakPolarHBondContact O-CA 3.43Å; D2-G6 PolarHBondContact O-N 3.23Å; G6-F8 VanDerWaalsContact C-N 3.3Å; G6-F8 PolarHBondContact O-N 2.92Å; G6-C9 PolarHBondContact O-N 3.19Å; G6-S10 VanDerWaalsContact O-CB 3.3Å; G6-S10 WeakPolarHBondContact O-CB 3.45Å; G6-S10 PolarHBondContact O-N 3.5Å |
| 7 | P | 57.7 | Low | 56 | Low | 74 Ų | 74 | 74.3 Ų | 74.3 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 174.4 | -24.5 | 34.6 | 0 | 0 | 0 | 113.8 | L5 S10 F11 | L5-P7 VanDerWaalsContact C-N 3.26Å; P7-S10 WeakPolarHBondContact O-CB 3.46Å; P7-S10 PolarHBondContact O-N 3.37Å; P7-S10 PolarHBondContact O-OG 2.92Å; P7-F11 WeakPolarHBondContact O-CD2 3.49Å |
| 8 | F | 54 | Low | 56 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.9 | -46.1 | 176.5 | -65.2 | -82.9 | 0 | 0 | 0 | 110.7 | L5 G6 S10 F11 Y13 L23 L27 | L5-F8 WeakPolarHBondContact O-CA 3.4Å; L5-F8 WeakPolarHBondContact O-CB 3.49Å; L5-F8 PolarHBondContact O-N 3.45Å; G6-F8 VanDerWaalsContact C-N 3.3Å; G6-F8 PolarHBondContact O-N 2.92Å; F8-S10 PolarHBondContact O-N 3.18Å; F8-F11 PolarHBondContact O-N 2.95Å; F8-Y13 WeakPolarHBondContact O-CD2 3.48Å; F8-L23 HydrophobicContact CB-CD2 4.32Å; F8-L23 HydrophobicContact CD1-CD2 3.69Å; F8-L23 HydrophobicContact CE1-CD2 4.22Å; F8-L23 HydrophobicContact CG-CD2 4.1Å; F8-L27 HydrophobicContact CD2-CD2 4.39Å; F8-L27 HydrophobicContact CE2-CD2 4.24Å |
| 9 | C | 52.7 | Low | 56 | Low | 14 Ų | 14 | 72.4 Ų | 72.4 | 10% | 0.095 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -22.9 | 174.9 | -74.4 | 0 | 0 | 0 | 0 | 113.2 | L5 G6 F11 G12 W48 P50 | L5-C9 PolarHBondContact O-N 2.61Å; L5-C9 VanDerWaalsContact O-N 3.1Å; G6-C9 PolarHBondContact O-N 3.19Å; C9-F11 PolarHBondContact O-N 3.21Å; C9-G12 PolarHBondContact O-N 3.03Å; C9-W48 HydrophobicContact CB-CH2 4.3Å; C9-W48 WeakPolarHBondContact SG-CH2 3.38Å; C9-W48 VanDerWaalsContact SG-CZ3 3.6Å; C9-P50 HydrophobicContact CB-CB 4.18Å |
| 10 | S | 50.9 | Low | 56.3 | Low | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.6 | 179.2 | 78.5 | 0 | 0 | 0 | 0 | 114 | G6 P7 F8 G12 L53 | G6-S10 VanDerWaalsContact O-CB 3.3Å; G6-S10 WeakPolarHBondContact O-CB 3.45Å; G6-S10 PolarHBondContact O-N 3.5Å; P7-S10 WeakPolarHBondContact O-CB 3.46Å; P7-S10 PolarHBondContact O-N 3.37Å; P7-S10 PolarHBondContact O-OG 2.92Å; F8-S10 PolarHBondContact O-N 3.18Å; S10-G12 VanDerWaalsContact C-N 3.3Å; S10-G12 PolarHBondContact O-N 3.26Å; S10-L53 VanDerWaalsContact CA-CD1 3.46Å; S10-L53 VanDerWaalsContact O-CD1 3.24Å; S10-L53 WeakPolarHBondContact O-CD1 3.31Å |
| 11 | F | 48.6 | Very low | 56.4 | Low | 159 Ų | 159 | 76 Ų | 76 | 70% | 0.697 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 10.9 | 176.3 | -75.7 | -81.2 | 0 | 0 | 0 | 114.1 | P7 F8 C9 Y13 | P7-F11 WeakPolarHBondContact O-CD2 3.49Å; F8-F11 PolarHBondContact O-N 2.95Å; C9-F11 PolarHBondContact O-N 3.21Å; F11-Y13 HydrophobicContact CB-CD2 3.85Å; F11-Y13 HydrophobicContact CB-CE2 3.58Å; F11-Y13 HydrophobicContact CG-CE2 4.38Å; F11-Y13 PolarHBondContact O-N 3.36Å |
| 12 | G | 48.3 | Very low | 56.3 | Low | 63 Ų | 63 | 83.3 Ų | 83.3 | 65% | 0.649 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 16.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C9 S10 S14 | C9-G12 PolarHBondContact O-N 3.03Å; S10-G12 VanDerWaalsContact C-N 3.3Å; S10-G12 PolarHBondContact O-N 3.26Å; G12-S14 PolarHBondContact O-N 2.89Å |
| 13 | Y | 50.7 | Low | 56.1 | Low | 111 Ų | 111 | 80.6 Ų | 80.6 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | trans | -59.1 | 129 | 169.4 | -68.7 | -53 | 0 | 0 | 0 | 108.9 | F8 F11 L17 | F8-Y13 WeakPolarHBondContact O-CD2 3.48Å; F11-Y13 HydrophobicContact CB-CD2 3.85Å; F11-Y13 HydrophobicContact CB-CE2 3.58Å; F11-Y13 HydrophobicContact CG-CE2 4.38Å; F11-Y13 PolarHBondContact O-N 3.36Å; Y13-L17 HydrophobicContact CD1-CB 4.46Å; Y13-L17 HydrophobicContact CD1-CD1 4.36Å; Y13-L17 HydrophobicContact CD1-CD2 3.38Å; Y13-L17 HydrophobicContact CD1-CG 4.24Å; Y13-L17 HydrophobicContact CE1-CD2 3.8Å; Y13-L17 HydrophobicContact CG-CD2 3.96Å | ||
| 14 | S | 54 | Low | 56.1 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | trans | -59.6 | 154.4 | 172.7 | 75 | 0 | 0 | 0 | 0 | 109.1 | G12 D16 L17 V18 | G12-S14 PolarHBondContact O-N 2.89Å; S14-D16 PolarHBondContact O-N 3.09Å; S14-D16 VanDerWaalsContact O-N 3.1Å; S14-D16 WeakPolarHBondContact OG-CB 3.47Å; S14-D16 PolarHBondContact OG-N 3.34Å; S14-L17 WeakPolarHBondContact O-CB 3.27Å; S14-L17 PolarHBondContact O-N 3.48Å; S14-L17 PolarHBondContact OG-N 2.99Å; S14-V18 PolarHBondContact O-N 2.99Å | ||
| 15 | V | 54.9 | Low | 56.3 | Low | 44 Ų | 44 | 73.2 Ų | 73.2 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -50.3 | -35.9 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | L17 V18 R19 P50 | V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.14Å; V15-V18 PolarHBondContact O-N 2.98Å; V15-R19 HydrophobicContact CG1-CG 4.34Å; V15-R19 WeakPolarHBondContact O-CB 3.48Å; V15-R19 VanDerWaalsContact O-CG 3.24Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 3.06Å; V15-P50 HydrophobicContact CG2-CG 3.69Å |
| 16 | D | 56.6 | Low | 56.6 | Low | 116 Ų | 116 | 77.8 Ų | 77.8 | 62% | 0.62 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63 | -33.9 | 176.5 | -56.3 | -41.2 | 0 | 0 | 0 | 113.3 | S14 R19 S20 | S14-D16 PolarHBondContact O-N 3.09Å; S14-D16 VanDerWaalsContact O-N 3.1Å; S14-D16 WeakPolarHBondContact OG-CB 3.47Å; S14-D16 PolarHBondContact OG-N 3.34Å; D16-R19 CarbonylContact O-C 3.13Å; D16-R19 PolarHBondContact O-N 3.3Å; D16-S20 PolarHBondContact O-N 3.28Å |
| 17 | L | 56.9 | Low | 56.9 | Low | 79 Ų | 79 | 76.7 Ų | 76.7 | 41% | 0.414 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -75.4 | -36.1 | 179.5 | -143.8 | 129.1 | 0 | 0 | 0 | 111.4 | Y13 S14 V15 R19 S20 L23 | Y13-L17 HydrophobicContact CD1-CB 4.46Å; Y13-L17 HydrophobicContact CD1-CD1 4.36Å; Y13-L17 HydrophobicContact CD1-CD2 3.38Å; Y13-L17 HydrophobicContact CD1-CG 4.24Å; Y13-L17 HydrophobicContact CE1-CD2 3.8Å; Y13-L17 HydrophobicContact CG-CD2 3.96Å; S14-L17 WeakPolarHBondContact O-CB 3.27Å; S14-L17 PolarHBondContact O-N 3.48Å; S14-L17 PolarHBondContact OG-N 2.99Å; V15-L17 VanDerWaalsContact C-N 3.3Å; V15-L17 PolarHBondContact O-N 3.14Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-S20 WeakPolarHBondContact O-CB 3.32Å; L17-S20 PolarHBondContact O-N 3.21Å; L17-S20 VanDerWaalsContact O-N 3.12Å; L17-S20 PolarHBondContact O-OG 2.65Å; L17-L23 HydrophobicContact CD2-CD1 4Å; L17-L23 WeakPolarHBondContact O-CD1 3.17Å |
| 18 | V | 56.9 | Low | 57.4 | Low | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 169 | -176.2 | 0 | 0 | 0 | 0 | 111 | S14 V15 S20 L23 L27 W48 | S14-V18 PolarHBondContact O-N 2.99Å; V15-V18 PolarHBondContact O-N 2.98Å; V18-S20 PolarHBondContact O-N 2.73Å; V18-L23 VanDerWaalsContact O-CB 3.29Å; V18-L23 WeakPolarHBondContact O-CB 3.4Å; V18-L27 HydrophobicContact CG1-CD1 3.81Å; V18-W48 HydrophobicContact CG1-CZ3 4.24Å |
| 19 | R | 56.1 | Low | 58.1 | Low | 108 Ų | 108 | 73.8 Ų | 73.8 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.6 | 172.8 | -70.8 | 174.2 | 174.7 | 179.4 | -4.4 | 113.8 | V15 D16 L17 Q21 A46 | V15-R19 HydrophobicContact CG1-CG 4.34Å; V15-R19 WeakPolarHBondContact O-CB 3.48Å; V15-R19 VanDerWaalsContact O-CG 3.24Å; V15-R19 WeakPolarHBondContact O-CG 3.45Å; V15-R19 PolarHBondContact O-N 3.06Å; D16-R19 CarbonylContact O-C 3.13Å; D16-R19 PolarHBondContact O-N 3.3Å; L17-R19 VanDerWaalsContact C-N 3.3Å; R19-Q21 PolarHBondContact O-N 2.7Å; R19-A46 PolarHBondContact NH2-O 2.85Å |
| 20 | S | 62.4 | Low | 58.8 | Low | 43 Ų | 43 | 77.1 Ų | 77.1 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -63.1 | 139.5 | 173.2 | 77.4 | 0 | 0 | 0 | 0 | 109.6 | D16 L17 V18 R22 L23 V24 | D16-S20 PolarHBondContact O-N 3.28Å; L17-S20 WeakPolarHBondContact O-CB 3.32Å; L17-S20 PolarHBondContact O-N 3.21Å; L17-S20 VanDerWaalsContact O-N 3.12Å; L17-S20 PolarHBondContact O-OG 2.65Å; V18-S20 PolarHBondContact O-N 2.73Å; S20-R22 PolarHBondContact O-N 2.91Å; S20-L23 PolarHBondContact O-N 3.33Å; S20-V24 WeakPolarHBondContact O-CG2 3.48Å; S20-V24 PolarHBondContact O-N 2.78Å |
| 21 | Q | 58.3 | Low | 59.6 | Low | 179 Ų | 179 | 75.1 Ų | 75.1 | 84% | 0.836 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -51.3 | -32.3 | -175.8 | -76.4 | -172.9 | -22.2 | 0 | 0 | 113.7 | R19 S25 | R19-Q21 PolarHBondContact O-N 2.7Å; Q21-S25 WeakPolarHBondContact O-CB 3.21Å; Q21-S25 PolarHBondContact O-N 2.7Å; Q21-S25 PolarHBondContact O-OG 3.24Å |
| 22 | R | 59.1 | Low | 60.6 | Low | 213 Ų | 213 | 70.5 Ų | 70.5 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65 | -47.2 | 177.2 | -83.4 | -173.2 | 175.2 | -176 | -0.8 | 112.6 | S20 S25 L26 | S20-R22 PolarHBondContact O-N 2.91Å; R22-S25 PolarHBondContact O-N 2.95Å; R22-S25 PolarHBondContact O-OG 2.84Å; R22-L26 PolarHBondContact O-N 3.25Å |
| 23 | L | 59.5 | Low | 61.8 | Low | 20 Ų | 20 | 73.3 Ų | 73.3 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 177.4 | -99.5 | 139.8 | 0 | 0 | 0 | 110.4 | F8 L17 V18 S20 S25 L26 L27 | F8-L23 HydrophobicContact CB-CD2 4.32Å; F8-L23 HydrophobicContact CD1-CD2 3.69Å; F8-L23 HydrophobicContact CE1-CD2 4.22Å; F8-L23 HydrophobicContact CG-CD2 4.1Å; L17-L23 HydrophobicContact CD2-CD1 4Å; L17-L23 WeakPolarHBondContact O-CD1 3.17Å; V18-L23 VanDerWaalsContact O-CB 3.29Å; V18-L23 WeakPolarHBondContact O-CB 3.4Å; S20-L23 PolarHBondContact O-N 3.33Å; L23-S25 PolarHBondContact O-N 3.35Å; L23-S25 VanDerWaalsContact O-N 3.17Å; L23-L26 WeakPolarHBondContact O-CB 3.47Å; L23-L26 PolarHBondContact O-N 3.09Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.86Å |
| 24 | V | 63.2 | Low | 62.8 | Low | 24 Ų | 24 | 75.2 Ų | 75.2 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -51.9 | -43 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 111 | S20 L26 L27 V28 E42 I45 | S20-V24 WeakPolarHBondContact O-CG2 3.48Å; S20-V24 PolarHBondContact O-N 2.78Å; V24-L26 PolarHBondContact O-N 3.36Å; V24-L27 PolarHBondContact O-N 3.03Å; V24-L27 VanDerWaalsContact O-N 3.15Å; V24-V28 HydrophobicContact CG1-CG2 4.1Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.36Å; V24-V28 PolarHBondContact O-N 2.92Å; V24-E42 HydrophobicContact CG1-CG 4.5Å; V24-I45 HydrophobicContact CG1-CD1 4.14Å; V24-I45 HydrophobicContact CG2-CG2 4.29Å |
| 25 | S | 65 | Low | 63.9 | Low | 76 Ų | 76 | 75.3 Ų | 75.3 | 53% | 0.531 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 178.7 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | Q21 R22 L23 A29 | Q21-S25 WeakPolarHBondContact O-CB 3.21Å; Q21-S25 PolarHBondContact O-N 2.7Å; Q21-S25 PolarHBondContact O-OG 3.24Å; R22-S25 PolarHBondContact O-N 2.95Å; R22-S25 PolarHBondContact O-OG 2.84Å; L23-S25 PolarHBondContact O-N 3.35Å; L23-S25 VanDerWaalsContact O-N 3.17Å; S25-A29 PolarHBondContact O-N 2.72Å |
| 26 | L | 65.1 | Low | 64.8 | Low | 101 Ų | 101 | 75.9 Ų | 75.9 | 53% | 0.529 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67 | -40 | 173.3 | -75 | 160.9 | 0 | 0 | 0 | 111 | R22 L23 V24 A29 D30 | R22-L26 PolarHBondContact O-N 3.25Å; L23-L26 WeakPolarHBondContact O-CB 3.47Å; L23-L26 PolarHBondContact O-N 3.09Å; V24-L26 PolarHBondContact O-N 3.36Å; L26-A29 WeakPolarHBondContact O-CB 3.37Å; L26-A29 PolarHBondContact O-N 3.18Å; L26-D30 PolarHBondContact O-N 3.14Å; L26-D30 VanDerWaalsContact O-N 3.12Å |
| 27 | L | 65.2 | Low | 65.7 | Low | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 179.3 | -60.1 | -172.3 | 0 | 0 | 0 | 112.5 | L5 F8 V18 L23 V24 A29 D30 L31 I45 | L5-L27 HydrophobicContact CD1-CD1 3.87Å; L5-L27 HydrophobicContact CD2-CB 4.48Å; L5-L27 HydrophobicContact CD2-CD1 3.55Å; L5-L27 HydrophobicContact CD2-CD2 3.09Å; L5-L27 HydrophobicContact CD2-CG 3.8Å; L5-L27 HydrophobicContact CG-CD1 4.39Å; F8-L27 HydrophobicContact CD2-CD2 4.39Å; F8-L27 HydrophobicContact CE2-CD2 4.24Å; V18-L27 HydrophobicContact CG1-CD1 3.81Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.47Å; L23-L27 PolarHBondContact O-N 2.86Å; V24-L27 PolarHBondContact O-N 3.03Å; V24-L27 VanDerWaalsContact O-N 3.15Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.16Å; L27-D30 PolarHBondContact O-N 3.47Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.46Å; L27-I45 HydrophobicContact CB-CD1 3.6Å; L27-I45 HydrophobicContact CB-CG1 4.47Å; L27-I45 HydrophobicContact CD1-CD1 4.02Å; L27-I45 HydrophobicContact CD1-CG1 4.21Å; L27-I45 HydrophobicContact CG-CD1 4.45Å |
| 28 | V | 66.5 | Low | 66.6 | Low | 26 Ų | 26 | 77.6 Ų | 77.6 | 16% | 0.158 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 172.5 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | V24 S32 I41 | V24-V28 HydrophobicContact CG1-CG2 4.1Å; V24-V28 WeakPolarHBondContact O-CB 3.5Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.36Å; V24-V28 PolarHBondContact O-N 2.92Å; V28-S32 WeakPolarHBondContact O-CB 3.23Å; V28-S32 PolarHBondContact O-N 3.38Å; V28-S32 PolarHBondContact O-OG 2.97Å; V28-I41 HydrophobicContact CB-CG2 4.35Å; V28-I41 HydrophobicContact CG1-CD1 4.28Å; V28-I41 HydrophobicContact CG2-CB 4.37Å; V28-I41 HydrophobicContact CG2-CG2 3.72Å |
| 29 | A | 68.9 | Low | 67.5 | Low | 55 Ų | 55 | 84.6 Ų | 84.6 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S25 L26 L27 S32 | S25-A29 PolarHBondContact O-N 2.72Å; L26-A29 WeakPolarHBondContact O-CB 3.37Å; L26-A29 PolarHBondContact O-N 3.18Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.16Å; A29-S32 PolarHBondContact O-OG 2.88Å |
| 30 | D | 67.3 | Low | 68.4 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | -179.7 | -79.4 | -17.3 | 0 | 0 | 0 | 113.1 | L26 L27 V33 | L26-D30 PolarHBondContact O-N 3.14Å; L26-D30 VanDerWaalsContact O-N 3.12Å; L27-D30 PolarHBondContact O-N 3.47Å; D30-V33 WeakPolarHBondContact O-CB 3.33Å |
| 31 | L | 68 | Low | 68.9 | Low | 10 Ų | 10 | 81.3 Ų | 81.3 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -79 | -25.7 | -178.7 | -70.3 | 168.6 | 0 | 0 | 0 | 112.8 | L4 L27 V33 Y34 I41 I45 | L4-L31 HydrophobicContact CD1-CD2 3.91Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.46Å; L31-V33 PolarHBondContact O-N 3.02Å; L31-V33 VanDerWaalsContact O-N 3.16Å; L31-Y34 HydrophobicContact CD2-CD2 4.42Å; L31-Y34 WeakPolarHBondContact O-CB 3.44Å; L31-Y34 PolarHBondContact O-N 2.94Å; L31-I41 HydrophobicContact CB-CD1 3.79Å; L31-I41 HydrophobicContact CB-CG1 3.83Å; L31-I41 HydrophobicContact CB-CG2 3.94Å; L31-I41 HydrophobicContact CD1-CG2 3.52Å; L31-I41 HydrophobicContact CG-CG2 4.37Å; L31-I45 HydrophobicContact CD1-CD1 4.41Å; L31-I45 HydrophobicContact CD1-CG1 4.38Å |
| 32 | S | 68.9 | Low | 69.6 | Low | 63 Ų | 63 | 78 Ų | 78 | 44% | 0.441 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -23.7 | 174.9 | 70.4 | 0 | 0 | 0 | 0 | 113 | V28 A29 Y34 G35 | V28-S32 WeakPolarHBondContact O-CB 3.23Å; V28-S32 PolarHBondContact O-N 3.38Å; V28-S32 PolarHBondContact O-OG 2.97Å; A29-S32 PolarHBondContact O-OG 2.88Å; S32-Y34 PolarHBondContact O-N 3.2Å; S32-G35 PolarHBondContact O-N 3.18Å |
| 33 | V | 73.9 | Confident | 70.5 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 73% | 0.733 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.9 | 174 | -177.1 | 0 | 0 | 0 | 0 | 112 | D30 L31 G35 | D30-V33 WeakPolarHBondContact O-CB 3.33Å; L31-V33 PolarHBondContact O-N 3.02Å; L31-V33 VanDerWaalsContact O-N 3.16Å; V33-G35 VanDerWaalsContact C-N 3.31Å |
| 34 | Y | 72 | Confident | 71.3 | Confident | 152 Ų | 152 | 76 Ų | 76 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7.5 | 177.1 | -61.1 | -85.3 | 0 | 0 | 0 | 113.5 | L4 L31 S32 L36 | L4-Y34 HydrophobicContact CD1-CE2 4.07Å; L4-Y34 HydrophobicContact CD2-CE2 4.41Å; L31-Y34 HydrophobicContact CD2-CD2 4.42Å; L31-Y34 WeakPolarHBondContact O-CB 3.44Å; L31-Y34 PolarHBondContact O-N 2.94Å; S32-Y34 PolarHBondContact O-N 3.2Å; Y34-L36 VanDerWaalsContact C-N 3.31Å; Y34-L36 PolarHBondContact O-N 3.08Å |
| 35 | G | 77.5 | Confident | 71.7 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 15.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S32 V33 | S32-G35 PolarHBondContact O-N 3.18Å; V33-G35 VanDerWaalsContact C-N 3.31Å |
| 36 | L | 73.4 | Confident | 72.1 | Confident | 56 Ų | 56 | 74 Ų | 74 | 29% | 0.293 | 41% | 0.407 | S | S | . | . | trans | -78.5 | 142.5 | 176.4 | -65.9 | 165.7 | 0 | 0 | 0 | 110.9 | Y34 E40 I41 L44 | Y34-L36 VanDerWaalsContact C-N 3.31Å; Y34-L36 PolarHBondContact O-N 3.08Å; L36-E40 HydrophobicContact CD2-CB 4.4Å; L36-I41 HydrophobicContact CB-CD1 4.03Å; L36-I41 HydrophobicContact CB-CG1 3.62Å; L36-I41 HydrophobicContact CD1-CG1 4.26Å; L36-L44 HydrophobicContact CD1-CD1 3.86Å | ||
| 37 | F | 76.6 | Confident | 72.7 | Confident | 150 Ų | 150 | 76.2 Ų | 76.2 | 66% | 0.658 | 42% | 0.415 | S | S | * | . | trans | -74.2 | 153.7 | 172.5 | -66.2 | -74.4 | 0 | 0 | 0 | 111.1 | Q39 E40 I41 | F37-Q39 PolarHBondContact O-N 2.71Å; F37-Q39 VanDerWaalsContact O-N 3.14Å; F37-E40 HydrophobicContact CB-CG 4.31Å; F37-E40 WeakPolarHBondContact CD2-OE2 3.45Å; F37-E40 PolarHBondContact N-OE2 2.82Å; F37-E40 PolarHBondContact O-N 3.34Å; F37-I41 WeakPolarHBondContact O-CG1 3.3Å; F37-I41 PolarHBondContact O-N 3.36Å | ||
| 38 | C | 74.6 | Confident | 73 | Confident | 80 Ų | 80 | 77.4 Ų | 77.4 | 54% | 0.541 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -53.4 | -38.7 | -179.1 | -62.4 | 0 | 0 | 0 | 0 | 113 | I41 E42 | C38-I41 PolarHBondContact O-N 2.88Å; C38-E42 WeakPolarHBondContact O-CG 3.3Å; C38-E42 PolarHBondContact O-N 2.93Å |
| 39 | Q | 76.4 | Confident | 73.2 | Confident | 151 Ų | 151 | 82.7 Ų | 82.7 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.9 | -43.9 | 177.3 | -76.7 | 178.5 | -21.5 | 0 | 0 | 112.5 | F37 I41 E42 E43 | F37-Q39 PolarHBondContact O-N 2.71Å; F37-Q39 VanDerWaalsContact O-N 3.14Å; Q39-I41 VanDerWaalsContact C-N 3.27Å; Q39-I41 PolarHBondContact O-N 2.68Å; Q39-E42 PolarHBondContact O-N 3.25Å; Q39-E43 WeakPolarHBondContact O-CG 3.18Å; Q39-E43 PolarHBondContact O-N 2.92Å |
| 40 | E | 75.3 | Confident | 73.1 | Confident | 82 Ų | 82 | 81.5 Ų | 81.5 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.8 | -62.4 | 173.7 | 143.1 | 0 | 0 | 111.1 | L36 F37 L44 | L36-E40 HydrophobicContact CD2-CB 4.4Å; F37-E40 HydrophobicContact CB-CG 4.31Å; F37-E40 WeakPolarHBondContact CD2-OE2 3.45Å; F37-E40 PolarHBondContact N-OE2 2.82Å; F37-E40 PolarHBondContact O-N 3.34Å; E40-L44 WeakPolarHBondContact O-CB 3.41Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.43Å |
| 41 | I | 71.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.2 | -63 | 167.8 | 0 | 0 | 0 | 111.1 | V28 L31 L36 F37 C38 Q39 E43 L44 I45 | V28-I41 HydrophobicContact CB-CG2 4.35Å; V28-I41 HydrophobicContact CG1-CD1 4.28Å; V28-I41 HydrophobicContact CG2-CB 4.37Å; V28-I41 HydrophobicContact CG2-CG2 3.72Å; L31-I41 HydrophobicContact CB-CD1 3.79Å; L31-I41 HydrophobicContact CB-CG1 3.83Å; L31-I41 HydrophobicContact CB-CG2 3.94Å; L31-I41 HydrophobicContact CD1-CG2 3.52Å; L31-I41 HydrophobicContact CG-CG2 4.37Å; L36-I41 HydrophobicContact CB-CD1 4.03Å; L36-I41 HydrophobicContact CB-CG1 3.62Å; L36-I41 HydrophobicContact CD1-CG1 4.26Å; F37-I41 WeakPolarHBondContact O-CG1 3.3Å; F37-I41 PolarHBondContact O-N 3.36Å; C38-I41 PolarHBondContact O-N 2.88Å; Q39-I41 VanDerWaalsContact C-N 3.27Å; Q39-I41 PolarHBondContact O-N 2.68Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 3.01Å; I41-L44 PolarHBondContact O-N 3.26Å; I41-I45 HydrophobicContact CG2-CD1 3.6Å; I41-I45 HydrophobicContact CG2-CG1 4.26Å; I41-I45 WeakPolarHBondContact O-CB 3.27Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.42Å; I41-I45 PolarHBondContact O-N 2.83Å |
| 42 | E | 73.4 | Confident | 73 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.5 | -76.9 | 178.2 | -177.9 | 0 | 0 | 111.7 | V24 C38 Q39 I45 A46 | V24-E42 HydrophobicContact CG1-CG 4.5Å; C38-E42 WeakPolarHBondContact O-CG 3.3Å; C38-E42 PolarHBondContact O-N 2.93Å; Q39-E42 PolarHBondContact O-N 3.25Å; E42-I45 PolarHBondContact O-N 3.47Å; E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.39Å; E42-A46 PolarHBondContact O-N 3.2Å |
| 43 | E | 77.8 | Confident | 72.8 | Confident | 123 Ų | 123 | 94.7 Ų | 94.7 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 174.5 | -76.1 | 178.7 | 177.8 | 0 | 0 | 111.9 | Q39 I41 I45 A46 E47 | Q39-E43 WeakPolarHBondContact O-CG 3.18Å; Q39-E43 PolarHBondContact O-N 2.92Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 3.01Å; E43-I45 VanDerWaalsContact C-N 3.32Å; E43-I45 PolarHBondContact O-N 3.4Å; E43-A46 WeakPolarHBondContact O-CB 3.5Å; E43-A46 PolarHBondContact O-N 2.9Å; E43-A46 VanDerWaalsContact O-N 3.08Å; E43-E47 WeakPolarHBondContact O-CB 3.48Å; E43-E47 WeakPolarHBondContact O-CG 3.45Å; E43-E47 PolarHBondContact O-N 3.07Å |
| 44 | L | 75.7 | Confident | 72.7 | Confident | 66 Ų | 66 | 93.6 Ų | 93.6 | 35% | 0.346 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 176.2 | -76.6 | 169.8 | 0 | 0 | 0 | 111.8 | M1 L36 E40 I41 A46 E47 W48 | M1-L44 WeakPolarHBondContact CE-O 3.44Å; M1-L44 HydrophobicContact SD-CB 3.84Å; L36-L44 HydrophobicContact CD1-CD1 3.86Å; E40-L44 WeakPolarHBondContact O-CB 3.41Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.43Å; I41-L44 PolarHBondContact O-N 3.26Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-E47 PolarHBondContact O-N 2.67Å; L44-W48 VanDerWaalsContact O-CB 3.26Å; L44-W48 WeakPolarHBondContact O-CB 3.39Å; L44-W48 PolarHBondContact O-N 2.93Å |
| 45 | I | 73 | Confident | 72.7 | Confident | 7 Ų | 7 | 91.6 Ų | 91.6 | 4% | 0.036 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.1 | -66.5 | 167.1 | 0 | 0 | 0 | 111.6 | M1 V24 L27 L31 I41 E42 E43 | M1-I45 HydrophobicContact CE-CG1 4.15Å; V24-I45 HydrophobicContact CG1-CD1 4.14Å; V24-I45 HydrophobicContact CG2-CG2 4.29Å; L27-I45 HydrophobicContact CB-CD1 3.6Å; L27-I45 HydrophobicContact CB-CG1 4.47Å; L27-I45 HydrophobicContact CD1-CD1 4.02Å; L27-I45 HydrophobicContact CD1-CG1 4.21Å; L27-I45 HydrophobicContact CG-CD1 4.45Å; L31-I45 HydrophobicContact CD1-CD1 4.41Å; L31-I45 HydrophobicContact CD1-CG1 4.38Å; I41-I45 HydrophobicContact CG2-CD1 3.6Å; I41-I45 HydrophobicContact CG2-CG1 4.26Å; I41-I45 WeakPolarHBondContact O-CB 3.27Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.42Å; I41-I45 PolarHBondContact O-N 2.83Å; E42-I45 PolarHBondContact O-N 3.47Å; E43-I45 VanDerWaalsContact C-N 3.32Å; E43-I45 PolarHBondContact O-N 3.4Å |
| 46 | A | 73.7 | Confident | 72.6 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 44% | 0.438 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | R19 E42 E43 L44 | R19-A46 PolarHBondContact NH2-O 2.85Å; E42-A46 VanDerWaalsContact O-CB 3.3Å; E42-A46 WeakPolarHBondContact O-CB 3.39Å; E42-A46 PolarHBondContact O-N 3.2Å; E43-A46 WeakPolarHBondContact O-CB 3.5Å; E43-A46 PolarHBondContact O-N 2.9Å; E43-A46 VanDerWaalsContact O-N 3.08Å; L44-A46 VanDerWaalsContact C-N 3.34Å |
| 47 | E | 76.4 | Confident | 72.8 | Confident | 147 Ų | 147 | 95.6 Ų | 95.6 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.7 | -26.3 | -178.2 | -70.5 | -172.8 | 170.1 | 0 | 0 | 113.6 | E43 L44 Q49 | E43-E47 WeakPolarHBondContact O-CB 3.48Å; E43-E47 WeakPolarHBondContact O-CG 3.45Å; E43-E47 PolarHBondContact O-N 3.07Å; L44-E47 PolarHBondContact O-N 2.67Å; E47-Q49 PolarHBondContact O-N 2.96Å |
| 48 | W | 71.4 | Confident | 73 | Confident | 26 Ų | 26 | 92.7 Ų | 92.7 | 10% | 0.098 | 48% | 0.477 | C | S | . | . | trans | -63.6 | 125.4 | -175 | -179.3 | 58.4 | 0 | 0 | 0 | 113.3 | M1 D2 L5 C9 V18 L44 P50 | M1-W48 HydrophobicContact CB-CD2 4.24Å; M1-W48 HydrophobicContact CB-CG 3.91Å; M1-W48 HydrophobicContact CE-CB 3.19Å; M1-W48 HydrophobicContact CE-CD2 3.75Å; M1-W48 HydrophobicContact CE-CE3 4.08Å; M1-W48 HydrophobicContact CE-CG 3.39Å; M1-W48 HydrophobicContact SD-CB 3.6Å; M1-W48 HydrophobicContact SD-CG 3.86Å; D2-W48 WeakPolarHBondContact OD1-CZ2 3.49Å; D2-W48 PolarHBondContact OD1-NE1 3.14Å; L5-W48 HydrophobicContact CB-CE3 4.37Å; L5-W48 HydrophobicContact CB-CH2 3.2Å; L5-W48 HydrophobicContact CB-CZ2 3.61Å; L5-W48 HydrophobicContact CB-CZ3 3.66Å; L5-W48 HydrophobicContact CD1-CD2 3.89Å; L5-W48 HydrophobicContact CD1-CE3 3.5Å; L5-W48 VanDerWaalsContact CD1-CE3 3.5Å; L5-W48 HydrophobicContact CD1-CH2 3.91Å; L5-W48 HydrophobicContact CD1-CZ2 4.29Å; L5-W48 HydrophobicContact CD1-CZ3 3.51Å; L5-W48 HydrophobicContact CG-CH2 4.2Å; L5-W48 HydrophobicContact CG-CZ3 4.26Å; C9-W48 HydrophobicContact CB-CH2 4.3Å; C9-W48 WeakPolarHBondContact SG-CH2 3.38Å; C9-W48 VanDerWaalsContact SG-CZ3 3.6Å; V18-W48 HydrophobicContact CG1-CZ3 4.24Å; L44-W48 VanDerWaalsContact O-CB 3.26Å; L44-W48 WeakPolarHBondContact O-CB 3.39Å; L44-W48 PolarHBondContact O-N 2.93Å; W48-P50 HydrophobicContact CE3-CB 4.49Å; W48-P50 HydrophobicContact CH2-CB 3.63Å; W48-P50 HydrophobicContact CH2-CG 4.38Å; W48-P50 HydrophobicContact CZ2-CB 3.65Å; W48-P50 HydrophobicContact CZ3-CB 4.05Å; W48-P50 HydrophobicContact CZ3-CG 4.31Å | ||
| 49 | Q | 70.7 | Confident | 73.3 | Confident | 136 Ų | 136 | 93.9 Ų | 93.9 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | trans | -106.7 | 103.1 | 172.5 | -65.4 | -61 | -43.7 | 0 | 0 | 108.2 | E47 Q51 | E47-Q49 PolarHBondContact O-N 2.96Å; Q49-Q51 PolarHBondContact O-N 3.04Å | ||
| 50 | P | 67.8 | Low | 73.4 | Confident | 30 Ų | 30 | 91.3 Ų | 91.3 | 20% | 0.195 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 135.5 | -179.5 | 19.8 | -29 | 0 | 0 | 0 | 111.1 | C9 V15 W48 R52 | C9-P50 HydrophobicContact CB-CB 4.18Å; V15-P50 HydrophobicContact CG2-CG 3.69Å; W48-P50 HydrophobicContact CE3-CB 4.49Å; W48-P50 HydrophobicContact CH2-CB 3.63Å; W48-P50 HydrophobicContact CH2-CG 4.38Å; W48-P50 HydrophobicContact CZ2-CB 3.65Å; W48-P50 HydrophobicContact CZ3-CB 4.05Å; W48-P50 HydrophobicContact CZ3-CG 4.31Å; P50-R52 PolarHBondContact O-N 2.94Å |
| 51 | Q | 69 | Low | 73.5 | Confident | 160 Ų | 160 | 90.3 Ų | 90.3 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 135.7 | 167.7 | -170.2 | 179.3 | 5.3 | 0 | 0 | 109.7 | Q49 | Q49-Q51 PolarHBondContact O-N 3.04Š|
| 52 | R | 63.7 | Low | 73.6 | Confident | 162 Ų | 162 | 95.2 Ų | 95.2 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66 | 137.7 | 173.7 | -67.2 | -170.7 | 167.1 | 123.9 | -6.6 | 110.6 | P50 T54 L56 | P50-R52 PolarHBondContact O-N 2.94Å; R52-T54 WeakPolarHBondContact CB-O 3.46Å; R52-T54 PolarHBondContact O-N 3.25Å; R52-L56 VanDerWaalsContact NH1-CD2 3.3Å |
| 53 | L | 65.4 | Low | 73.6 | Confident | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -65 | -30.1 | 172.6 | -64.7 | 157.3 | 0 | 0 | 0 | 112.3 | S10 | S10-L53 VanDerWaalsContact CA-CD1 3.46Å; S10-L53 VanDerWaalsContact O-CD1 3.24Å; S10-L53 WeakPolarHBondContact O-CD1 3.31Å |
| 54 | T | 70.7 | Confident | 73.5 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -125.3 | 145.1 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | R52 | R52-T54 WeakPolarHBondContact CB-O 3.46Å; R52-T54 PolarHBondContact O-N 3.25Å |
| 55 | P | 73.5 | Confident | 73.5 | Confident | 110 Ų | 110 | 96.4 Ų | 96.4 | 71% | 0.714 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -59 | 152.1 | 169.6 | 26.5 | -32.9 | 0 | 0 | 0 | 109.8 | V57 | P55-V57 PolarHBondContact O-N 3.38Š|
| 56 | L | 74.8 | Confident | 73.9 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 126 | 165.4 | -79.7 | 176.5 | 0 | 0 | 0 | 108.4 | R52 | R52-L56 VanDerWaalsContact NH1-CD2 3.3Š|
| 57 | V | 76.3 | Confident | 74.4 | Confident | 75 Ų | 75 | 105.9 Ų | 105.9 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -89.4 | 131.5 | 169.5 | -171.1 | 0 | 0 | 0 | 0 | 107 | P55 P59 D61 V63 L64 | P55-V57 PolarHBondContact O-N 3.38Å; V57-P59 WeakPolarHBondContact O-CD 3.26Å; V57-D61 HydrophobicContact CG1-CB 4.03Å; V57-V63 HydrophobicContact CG1-CG1 4.48Å; V57-L64 HydrophobicContact CG1-CD1 3.87Å; V57-L64 HydrophobicContact CG1-CD2 4.08Å; V57-L64 HydrophobicContact CG1-CG 4.03Å |
| 58 | D | 81.9 | Confident | 75 | Confident | 89 Ų | 89 | 105.2 Ų | 105.2 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 122.1 | 171 | -175.6 | -21.9 | 0 | 0 | 0 | 108.1 | T60 D61 L64 | D58-T60 PolarHBondContact O-N 3.02Å; D58-T60 WeakPolarHBondContact OD1-CA 3.45Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 PolarHBondContact OD1-N 3.4Å; D58-T60 PolarHBondContact OD1-OG1 2.96Å; D58-T60 PolarHBondContact OD2-OG1 2.91Å; D58-T60 VanDerWaalsContact OD2-OG1 3.12Å; D58-D61 HydrophobicContact CB-CB 4.28Å; D58-D61 WeakPolarHBondContact O-CB 3.36Å; D58-D61 PolarHBondContact O-N 3.19Å; D58-L64 VanDerWaalsContact O-CD1 3.25Å; D58-L64 WeakPolarHBondContact O-CD1 3.1Å |
| 59 | P | 79.7 | Confident | 76 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -14.3 | 178.1 | 24.2 | -32.7 | 0 | 0 | 0 | 113.2 | V57 | V57-P59 WeakPolarHBondContact O-CD 3.26Š|
| 60 | T | 80.3 | Confident | 77.1 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.5 | 173 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | D58 P62 | D58-T60 PolarHBondContact O-N 3.02Å; D58-T60 WeakPolarHBondContact OD1-CA 3.45Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 PolarHBondContact OD1-N 3.4Å; D58-T60 PolarHBondContact OD1-OG1 2.96Å; D58-T60 PolarHBondContact OD2-OG1 2.91Å; D58-T60 VanDerWaalsContact OD2-OG1 3.12Å; T60-P62 WeakPolarHBondContact O-CD 3.26Å |
| 61 | D | 77 | Confident | 78.4 | Confident | 60 Ų | 60 | 106 Ų | 106 | 32% | 0.321 | 58% | 0.577 | S | S | . | * | trans | -57.3 | 122.5 | 178.1 | -168.5 | -39.9 | 0 | 0 | 0 | 109.9 | V57 D58 V63 L64 | V57-D61 HydrophobicContact CG1-CB 4.03Å; D58-D61 HydrophobicContact CB-CB 4.28Å; D58-D61 WeakPolarHBondContact O-CB 3.36Å; D58-D61 PolarHBondContact O-N 3.19Å; D61-V63 HydrophobicContact CB-CG1 4.08Å; D61-V63 VanDerWaalsContact CG-CG1 3.43Å; D61-V63 PolarHBondContact O-N 2.86Å; D61-V63 VanDerWaalsContact OD1-CB 3.26Å; D61-V63 WeakPolarHBondContact OD1-CB 3.46Å; D61-V63 WeakPolarHBondContact OD1-CG1 3.5Å; D61-V63 PolarHBondContact OD1-N 3.29Å; D61-L64 HydrophobicContact CB-CD1 4.5Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 WeakPolarHBondContact O-CB 3.19Å; D61-L64 PolarHBondContact O-N 3.35Å | ||
| 62 | P | 72.4 | Confident | 79.5 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -52.6 | -26.8 | 178 | -26.9 | 34.6 | 0 | 0 | 0 | 113.6 | T60 L64 K65 | T60-P62 WeakPolarHBondContact O-CD 3.26Å; P62-L64 PolarHBondContact O-N 3.12Å; P62-L64 VanDerWaalsContact O-N 3.13Å; P62-K65 CarbonylContact O-C 3.53Å; P62-K65 PolarHBondContact O-N 3.49Å |
| 63 | V | 75.1 | Confident | 80.8 | Confident | 65 Ų | 65 | 100.1 Ų | 100.1 | 39% | 0.394 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -60.1 | -23.9 | 177.5 | 82.5 | 0 | 0 | 0 | 0 | 113.2 | V57 D61 R66 | V57-V63 HydrophobicContact CG1-CG1 4.48Å; D61-V63 HydrophobicContact CB-CG1 4.08Å; D61-V63 VanDerWaalsContact CG-CG1 3.43Å; D61-V63 PolarHBondContact O-N 2.86Å; D61-V63 VanDerWaalsContact OD1-CB 3.26Å; D61-V63 WeakPolarHBondContact OD1-CB 3.46Å; D61-V63 WeakPolarHBondContact OD1-CG1 3.5Å; D61-V63 PolarHBondContact OD1-N 3.29Å; V63-R66 VanDerWaalsContact CG2-NH2 3.26Å; V63-R66 WeakPolarHBondContact O-CG 3.46Å; V63-R66 PolarHBondContact O-NE 2.78Å |
| 64 | L | 74.8 | Confident | 82.2 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -84.3 | -23.8 | 177.8 | -61 | 179.3 | 0 | 0 | 0 | 112.5 | V57 D58 D61 P62 | V57-L64 HydrophobicContact CG1-CD1 3.87Å; V57-L64 HydrophobicContact CG1-CD2 4.08Å; V57-L64 HydrophobicContact CG1-CG 4.03Å; D58-L64 VanDerWaalsContact O-CD1 3.25Å; D58-L64 WeakPolarHBondContact O-CD1 3.1Å; D61-L64 HydrophobicContact CB-CD1 4.5Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 WeakPolarHBondContact O-CB 3.19Å; D61-L64 PolarHBondContact O-N 3.35Å; P62-L64 PolarHBondContact O-N 3.12Å; P62-L64 VanDerWaalsContact O-N 3.13Å |
| 65 | K | 75.9 | Confident | 83.4 | Confident | 164 Ų | 164 | 94 Ų | 94 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -103.9 | 68.6 | 178.7 | -67.5 | -175.1 | -178.3 | 178.3 | 0 | 110.3 | P62 | P62-K65 CarbonylContact O-C 3.53Å; P62-K65 PolarHBondContact O-N 3.49Å |
| 66 | R | 81.7 | Confident | 84.5 | Confident | 175 Ų | 175 | 92.5 Ų | 92.5 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | trans | -82.5 | 138.2 | 177.1 | -61.3 | -177.1 | -177 | -152.7 | -3.8 | 110.3 | V63 I68 | V63-R66 VanDerWaalsContact CG2-NH2 3.26Å; V63-R66 WeakPolarHBondContact O-CG 3.46Å; V63-R66 PolarHBondContact O-NE 2.78Å; R66-I68 PolarHBondContact O-N 3.19Å | ||
| 67 | P | 84.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | trans | -54.2 | 130 | 171.3 | -26.4 | 35.3 | 0 | 0 | 0 | 111.4 | I79 | P67-I79 HydrophobicContact CB-CD1 4.05Å; P67-I79 HydrophobicContact CB-CG2 3.76Å | ||
| 68 | I | 89.5 | Confident | 86.6 | Confident | 133 Ų | 133 | 85 Ų | 85 | 68% | 0.682 | 46% | 0.459 | S | S | * | . | trans | -106.6 | 127.8 | 175.4 | -62.2 | 173.4 | 0 | 0 | 0 | 107.6 | R66 | R66-I68 PolarHBondContact O-N 3.19Š| ||
| 69 | V | 92.7 | Very high | 87.2 | Confident | 50 Ų | 50 | 81 Ų | 81 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.1 | 176 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | L73 V77 V78 I79 | V69-L73 HydrophobicContact CB-CD1 4.28Å; V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 HydrophobicContact CG2-CD1 3.81Å; V69-V77 HydrophobicContact CG1-CB 4.26Å; V69-V78 CarbonylContact C-O 3.08Å; V69-V78 WeakPolarHBondContact CA-O 3.4Å; V69-I79 HydrophobicContact CG2-CD1 4.25Å; V69-I79 HydrophobicContact CG2-CG1 3.98Å |
| 70 | E | 93.7 | Very high | 87.7 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 38% | 0.383 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.6 | 176.7 | -61.3 | 173 | -132.8 | 0 | 0 | 109.4 | V78 E80 N81 | E70-V78 HydrophobicContact CB-CB 4.25Å; E70-V78 HydrophobicContact CB-CG1 4.24Å; E70-V78 PolarHBondContact N-O 2.95Å; E70-E80 WeakPolarHBondContact OE1-CA 3.28Å; E70-E80 PolarHBondContact OE1-N 3.36Å; E70-N81 PolarHBondContact OE1-N 3.46Å; E70-N81 VanDerWaalsContact OE1-N 3.13Å |
| 71 | G | 93.4 | Very high | 88.4 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 79% | 0.794 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 81.2 | -138.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 72 | K | 92.9 | Very high | 89.3 | Confident | 116 Ų | 116 | 87 Ų | 87 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | trans | -78.8 | 135.8 | -173.9 | -66.7 | -174.8 | -178.4 | -173.3 | 0 | 110.9 | D74 C97 E102 | K72-D74 PolarHBondContact O-N 3.49Å; K72-C97 HydrophobicContact CD-CB 4.14Å; K72-E102 WeakPolarHBondContact CE-OE1 3.29Å; K72-E102 IonicContact NZ-OE1 2.7Å; K72-E102 PolarHBondContact NZ-OE1 3.48Å; K72-E102 IonicContact NZ-OE2 2.6Å; K72-E102 PolarHBondContact NZ-OE2 2.97Å | ||
| 73 | L | 91.3 | Very high | 90.5 | Very high | 82 Ų | 82 | 87.8 Ų | 87.8 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | trans | -93 | 83.9 | 172.6 | -174.1 | 74.8 | 0 | 0 | 0 | 109.5 | V69 V77 T89 | V69-L73 HydrophobicContact CB-CD1 4.28Å; V69-L73 HydrophobicContact CG1-CD1 3.97Å; V69-L73 HydrophobicContact CG2-CD1 3.81Å; L73-V77 HydrophobicContact CD1-CG1 3.67Å; L73-V77 HydrophobicContact CG-CG1 4.49Å; L73-T89 HydrophobicContact CD1-CG2 4.01Å; L73-T89 HydrophobicContact CD2-CG2 3.76Å; L73-T89 HydrophobicContact CG-CG2 3.87Å | ||
| 74 | D | 93.5 | Very high | 91.6 | Very high | 42 Ų | 42 | 85.4 Ų | 85.4 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -125.5 | -156.5 | -176.7 | -160.5 | 5.7 | 0 | 0 | 0 | 111.8 | K72 Y76 V77 N86 N91 C97 | K72-D74 PolarHBondContact O-N 3.49Å; D74-Y76 PolarHBondContact O-N 2.8Å; D74-V77 WeakPolarHBondContact O-CG1 3.34Å; D74-N86 WeakPolarHBondContact O-CB 3.24Å; D74-N86 PolarHBondContact O-ND2 3.21Å; D74-N91 PolarHBondContact OD1-ND2 3.46Å; D74-C97 HydrophobicContact CB-CB 3.99Å; D74-C97 WeakPolarHBondContact OD2-CB 3.45Å |
| 75 | K | 96.5 | Very high | 92.7 | Very high | 41 Ų | 41 | 81 Ų | 81 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -50.7 | -38.7 | 173.8 | -177.2 | 169.5 | 78 | 148.2 | 0 | 113.4 | L85 N86 E431 E436 | K75-L85 HydrophobicContact CG-CD1 4Å; K75-N86 VanDerWaalsContact O-CB 3.32Å; K75-N86 WeakPolarHBondContact O-CB 3.48Å; K75-N86 PolarHBondContact O-N 2.81Å; K75-E431 HydrophobicContact CD-CB 3.95Å; K75-E431 WeakPolarHBondContact CD-O 3.23Å; K75-E431 WeakPolarHBondContact CE-O 3.25Å; K75-E431 PolarHBondContact NZ-O 3.35Å; K75-E436 WeakPolarHBondContact CD-OE2 3.44Å; K75-E436 IonicContact NZ-OE1 2.81Å; K75-E436 PolarHBondContact NZ-OE1 2.93Å; K75-E436 IonicContact NZ-OE2 3.04Å; K75-E436 PolarHBondContact NZ-OE2 3.4Å |
| 76 | Y | 97.4 | Very high | 93.8 | Very high | 79 Ų | 79 | 73.3 Ų | 73.3 | 31% | 0.31 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.3 | 170.9 | -70.2 | -79.8 | 0 | 0 | 0 | 109 | D74 E83 Y84 L85 E436 | D74-Y76 PolarHBondContact O-N 2.8Å; Y76-E83 HydrophobicContact CD1-CG 3.91Å; Y76-E83 HydrophobicContact CG-CG 4.36Å; Y76-Y84 WeakPolarHBondContact CA-O 3.28Å; Y76-L85 HydrophobicContact CD1-CB 4.44Å; Y76-L85 HydrophobicContact CD1-CD1 4.43Å; Y76-L85 HydrophobicContact CE1-CB 4.1Å; Y76-L85 HydrophobicContact CE1-CD1 3.92Å; Y76-E436 PolarHBondContact OH-OE1 3.3Å |
| 77 | V | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.2 | -179.4 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | V69 L73 D74 I79 E83 Y84 N86 L405 | V69-V77 HydrophobicContact CG1-CB 4.26Å; L73-V77 HydrophobicContact CD1-CG1 3.67Å; L73-V77 HydrophobicContact CG-CG1 4.49Å; D74-V77 WeakPolarHBondContact O-CG1 3.34Å; V77-I79 HydrophobicContact CG2-CD1 4.49Å; V77-E83 CarbonylContact O-C 3.53Å; V77-E83 WeakPolarHBondContact O-CA 3.41Å; V77-Y84 PolarHBondContact N-O 3.04Å; V77-Y84 PolarHBondContact O-N 3.24Å; V77-N86 HydrophobicContact CG1-CB 3.9Å; V77-N86 HydrophobicContact CG2-CB 4.31Å; V77-L405 HydrophobicContact CG2-CB 4.35Å; V77-L405 HydrophobicContact CG2-CD2 3.69Å |
| 78 | V | 97.5 | Very high | 95.1 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.9 | 177.2 | -178 | 0 | 0 | 0 | 0 | 109 | V69 E70 K82 | V69-V78 CarbonylContact C-O 3.08Å; V69-V78 WeakPolarHBondContact CA-O 3.4Å; E70-V78 HydrophobicContact CB-CB 4.25Å; E70-V78 HydrophobicContact CB-CG1 4.24Å; E70-V78 PolarHBondContact N-O 2.95Å; V78-K82 CarbonylContact C-O 3.6Å; V78-K82 WeakPolarHBondContact CA-O 3.02Å |
| 79 | I | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 124.5 | 175.9 | -64.9 | 169.5 | 0 | 0 | 0 | 106.7 | P67 V69 V77 N81 K82 Y84 L405 | P67-I79 HydrophobicContact CB-CD1 4.05Å; P67-I79 HydrophobicContact CB-CG2 3.76Å; V69-I79 HydrophobicContact CG2-CD1 4.25Å; V69-I79 HydrophobicContact CG2-CG1 3.98Å; V77-I79 HydrophobicContact CG2-CD1 4.49Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 2.69Å; I79-K82 PolarHBondContact N-O 3.49Å; I79-K82 PolarHBondContact O-N 3.09Å; I79-Y84 HydrophobicContact CB-CD2 4.15Å; I79-Y84 HydrophobicContact CB-CE2 3.79Å; I79-Y84 HydrophobicContact CD1-CD2 4.4Å; I79-Y84 HydrophobicContact CG1-CD2 4.48Å; I79-L405 HydrophobicContact CD1-CD1 4.15Å; I79-L405 HydrophobicContact CD1-CD2 4.27Å |
| 80 | E | 91.8 | Very high | 95.5 | Very high | 159 Ų | 159 | 56 Ų | 56 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 45.4 | -179.2 | -60.8 | -175.3 | 155.9 | 0 | 0 | 112.2 | E70 K82 | E70-E80 WeakPolarHBondContact OE1-CA 3.28Å; E70-E80 PolarHBondContact OE1-N 3.36Å; E80-K82 PolarHBondContact O-N 3.1Å; E80-K82 VanDerWaalsContact O-N 3.13Å |
| 81 | N | 93.3 | Very high | 95.7 | Very high | 143 Ų | 143 | 52.9 Ų | 52.9 | 77% | 0.765 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 12.5 | -174.5 | -54 | -82.8 | 0 | 0 | 0 | 116.1 | E70 I79 | E70-N81 PolarHBondContact OE1-N 3.46Å; E70-N81 VanDerWaalsContact OE1-N 3.13Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 2.69Å |
| 82 | K | 96.7 | Very high | 95.9 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.6 | 173.1 | -176 | 173 | 175.7 | -166.3 | 0 | 110.4 | V78 I79 E80 Y84 M400 N401 | V78-K82 CarbonylContact C-O 3.6Å; V78-K82 WeakPolarHBondContact CA-O 3.02Å; I79-K82 PolarHBondContact N-O 3.49Å; I79-K82 PolarHBondContact O-N 3.09Å; E80-K82 PolarHBondContact O-N 3.1Å; E80-K82 VanDerWaalsContact O-N 3.13Å; K82-Y84 HydrophobicContact CB-CE2 3.74Å; K82-Y84 HydrophobicContact CD-CE1 4.3Å; K82-Y84 HydrophobicContact CD-CE2 4.25Å; K82-Y84 HydrophobicContact CG-CD2 4.5Å; K82-Y84 HydrophobicContact CG-CE2 3.83Å; K82-Y84 WeakPolarHBondContact O-CD2 3.12Å; K82-Y84 WeakPolarHBondContact O-CE2 3.33Å; K82-M400 PolarHBondContact NZ-O 2.7Å; K82-N401 PolarHBondContact NZ-O 2.69Å |
| 83 | E | 97.2 | Very high | 96.2 | Very high | 120 Ų | 120 | 43.9 Ų | 43.9 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 138.6 | 176.2 | -172 | 179.3 | 83.6 | 0 | 0 | 111.1 | Y76 V77 | Y76-E83 HydrophobicContact CD1-CG 3.91Å; Y76-E83 HydrophobicContact CG-CG 4.36Å; V77-E83 CarbonylContact O-C 3.53Å; V77-E83 WeakPolarHBondContact O-CA 3.41Å |
| 84 | Y | 98.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.6 | 177.3 | -59.3 | -99.8 | 0 | 0 | 0 | 110.8 | Y76 V77 I79 K82 N86 M400 G403 | Y76-Y84 WeakPolarHBondContact CA-O 3.28Å; V77-Y84 PolarHBondContact N-O 3.04Å; V77-Y84 PolarHBondContact O-N 3.24Å; I79-Y84 HydrophobicContact CB-CD2 4.15Å; I79-Y84 HydrophobicContact CB-CE2 3.79Å; I79-Y84 HydrophobicContact CD1-CD2 4.4Å; I79-Y84 HydrophobicContact CG1-CD2 4.48Å; K82-Y84 HydrophobicContact CB-CE2 3.74Å; K82-Y84 HydrophobicContact CD-CE1 4.3Å; K82-Y84 HydrophobicContact CD-CE2 4.25Å; K82-Y84 HydrophobicContact CG-CD2 4.5Å; K82-Y84 HydrophobicContact CG-CE2 3.83Å; K82-Y84 WeakPolarHBondContact O-CD2 3.12Å; K82-Y84 WeakPolarHBondContact O-CE2 3.33Å; Y84-N86 PolarHBondContact O-N 2.99Å; Y84-M400 HydrophobicContact CE1-CB 4.05Å; Y84-M400 HydrophobicContact CE1-CE 4.14Å; Y84-M400 HydrophobicContact CE1-CG 4.21Å; Y84-M400 VanDerWaalsContact CE1-O 3.32Å; Y84-M400 WeakPolarHBondContact CE1-O 3.45Å; Y84-G403 CarbonylContact C-O 3.55Å; Y84-G403 WeakPolarHBondContact CA-O 3.36Å |
| 85 | L | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.6 | 167.4 | 178.2 | 64.5 | 0 | 0 | 0 | 109.5 | K75 Y76 F87 G403 I404 L405 E436 | K75-L85 HydrophobicContact CG-CD1 4Å; Y76-L85 HydrophobicContact CD1-CB 4.44Å; Y76-L85 HydrophobicContact CD1-CD1 4.43Å; Y76-L85 HydrophobicContact CE1-CB 4.1Å; Y76-L85 HydrophobicContact CE1-CD1 3.92Å; L85-F87 HydrophobicContact CD2-CE2 3.49Å; L85-F87 VanDerWaalsContact CD2-CE2 3.49Å; L85-F87 HydrophobicContact CD2-CZ 3.87Å; L85-F87 HydrophobicContact CG-CD2 4.27Å; L85-F87 HydrophobicContact CG-CE2 3.57Å; L85-F87 HydrophobicContact CG-CZ 4.16Å; L85-G403 PolarHBondContact N-O 3.41Å; L85-I404 CarbonylContact O-C 3.58Å; L85-I404 WeakPolarHBondContact O-CA 3.42Å; L85-L405 PolarHBondContact O-N 2.91Å; L85-E436 HydrophobicContact CD1-CB 4.26Å; L85-E436 HydrophobicContact CD1-CG 4.02Å; L85-E436 HydrophobicContact CD2-CB 3.65Å; L85-E436 HydrophobicContact CD2-CG 3.87Å |
| 86 | N | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.6 | -167 | 179.9 | 14.2 | 0 | 0 | 0 | 113 | D74 K75 V77 Y84 G88 T89 H432 | D74-N86 WeakPolarHBondContact O-CB 3.24Å; D74-N86 PolarHBondContact O-ND2 3.21Å; K75-N86 VanDerWaalsContact O-CB 3.32Å; K75-N86 WeakPolarHBondContact O-CB 3.48Å; K75-N86 PolarHBondContact O-N 2.81Å; V77-N86 HydrophobicContact CG1-CB 3.9Å; V77-N86 HydrophobicContact CG2-CB 4.31Å; Y84-N86 PolarHBondContact O-N 2.99Å; N86-G88 PolarHBondContact OD1-N 3.08Å; N86-T89 VanDerWaalsContact ND2-CG2 3.25Å; N86-T89 WeakPolarHBondContact ND2-CG2 3.23Å; N86-T89 PolarHBondContact ND2-OG1 2.95Å; N86-T89 PolarHBondContact OD1-N 2.81Å; N86-H432 PolarHBondContact O-CE1 2.66Å; N86-H432 PolarHBondContact O-NE2 2.87Å |
| 87 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -121.5 | 11 | 168.4 | -64.3 | -89.5 | 0 | 0 | 0 | 112.7 | L85 I404 L405 L406 I426 S427 L428 H432 L440 | L85-F87 HydrophobicContact CD2-CE2 3.49Å; L85-F87 VanDerWaalsContact CD2-CE2 3.49Å; L85-F87 HydrophobicContact CD2-CZ 3.87Å; L85-F87 HydrophobicContact CG-CD2 4.27Å; L85-F87 HydrophobicContact CG-CE2 3.57Å; L85-F87 HydrophobicContact CG-CZ 4.16Å; F87-I404 HydrophobicContact CD2-CG2 3.73Å; F87-I404 HydrophobicContact CE2-CG2 4.03Å; F87-L405 PolarHBondContact N-O 2.72Å; F87-L405 VanDerWaalsContact N-O 3.14Å; F87-L406 HydrophobicContact CB-CD2 4Å; F87-I426 HydrophobicContact CB-CG2 4.15Å; F87-S427 PolarHBondContact O-N 2.97Å; F87-L428 HydrophobicContact CD1-CD1 4.08Å; F87-L428 HydrophobicContact CE1-CD1 3.88Å; F87-H432 AromaticContact CD1-CE1 3.42Å; F87-H432 VanDerWaalsContact CD1-CE1 3.42Å; F87-H432 WeakPolarHBondContact CD1-CE1 3.42Å; F87-H432 AromaticContact CD1-ND1 3.88Å; F87-H432 AromaticContact CD1-NE2 3.81Å; F87-H432 AromaticContact CE1-CD2 3.94Å; F87-H432 AromaticContact CE1-CE1 3.54Å; F87-H432 AromaticContact CE1-CG 3.87Å; F87-H432 AromaticContact CE1-ND1 3.62Å; F87-H432 AromaticContact CE1-NE2 3.75Å; F87-L440 HydrophobicContact CB-CD2 4.44Å; F87-L440 HydrophobicContact CD1-CD2 3.72Å; F87-L440 HydrophobicContact CD2-CB 4.49Å; F87-L440 HydrophobicContact CD2-CD1 4.5Å; F87-L440 HydrophobicContact CD2-CD2 3.93Å; F87-L440 HydrophobicContact CE1-CD2 3.79Å; F87-L440 HydrophobicContact CE2-CB 3.85Å; F87-L440 HydrophobicContact CE2-CD2 3.97Å; F87-L440 HydrophobicContact CE2-CG 4.36Å; F87-L440 HydrophobicContact CG-CD2 3.79Å; F87-L440 HydrophobicContact CZ-CB 3.91Å; F87-L440 HydrophobicContact CZ-CD2 3.91Å | ||
| 88 | G | 95 | Very high | 96.5 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -91.6 | -18 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N86 T407 K425 | N86-G88 PolarHBondContact OD1-N 3.08Å; G88-T407 WeakPolarHBondContact CA-OG1 3.29Å; G88-K425 WeakPolarHBondContact O-CE 3.3Å; G88-K425 PolarHBondContact O-NZ 2.76Å |
| 89 | T | 94.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -101.5 | 150.2 | -173.5 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | L73 N86 N91 S427 | L73-T89 HydrophobicContact CD1-CG2 4.01Å; L73-T89 HydrophobicContact CD2-CG2 3.76Å; L73-T89 HydrophobicContact CG-CG2 3.87Å; N86-T89 VanDerWaalsContact ND2-CG2 3.25Å; N86-T89 WeakPolarHBondContact ND2-CG2 3.23Å; N86-T89 PolarHBondContact ND2-OG1 2.95Å; N86-T89 PolarHBondContact OD1-N 2.81Å; T89-N91 PolarHBondContact O-N 2.71Å; T89-S427 WeakPolarHBondContact O-CB 3.47Å |
| 90 | M | 96.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 18% | 0.177 | 22% | 0.224 | C | C | . | . | trans | -90.4 | 25.6 | -178.4 | -61.4 | -171.7 | -68.5 | 0 | 0 | 113 | F92 L233 N293 | M90-F92 HydrophobicContact CB-CD1 4.41Å; M90-F92 HydrophobicContact CB-CE1 3.76Å; M90-F92 HydrophobicContact CB-CE2 4.11Å; M90-F92 HydrophobicContact CB-CZ 3.58Å; M90-F92 HydrophobicContact CG-CE1 3.99Å; M90-F92 HydrophobicContact CG-CZ 3.79Å; M90-F92 WeakPolarHBondContact O-CG 3.35Å; M90-F92 PolarHBondContact O-N 2.88Å; M90-F92 HydrophobicContact SD-CZ 4.2Å; M90-L233 HydrophobicContact CE-CD1 4.09Å; M90-L233 HydrophobicContact SD-CD1 3.65Å; M90-N293 HydrophobicContact CB-CB 4.14Å; M90-N293 WeakPolarHBondContact CB-OD1 3.39Å; M90-N293 WeakPolarHBondContact CE-OD1 3.41Å; M90-N293 CarbonylContact O-C 3.42Å; M90-N293 VanDerWaalsContact O-CA 3.25Å; M90-N293 WeakPolarHBondContact O-CA 3.42Å | ||
| 91 | N | 97.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 8% | 0.08 | 19% | 0.191 | C | C | . | . | trans | -75.3 | 60.4 | 174 | -175.8 | 24.5 | 0 | 0 | 0 | 110.4 | D74 T89 L93 G94 L95 A96 S429 | D74-N91 PolarHBondContact OD1-ND2 3.46Å; T89-N91 PolarHBondContact O-N 2.71Å; N91-L93 PolarHBondContact O-N 2.88Å; N91-G94 WeakPolarHBondContact ND2-CA 3.42Å; N91-G94 PolarHBondContact O-N 3.27Å; N91-G94 WeakPolarHBondContact OD1-CA 3.5Å; N91-G94 PolarHBondContact OD1-N 2.92Å; N91-L95 PolarHBondContact OD1-N 3.47Å; N91-A96 PolarHBondContact OD1-N 3.4Å; N91-S429 PolarHBondContact O-OG 3.12Å | ||
| 92 | F | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.6 | -167.2 | -56.2 | -45.1 | 0 | 0 | 0 | 113.7 | M90 V261 V265 N293 A294 L350 P376 S429 S430 | M90-F92 HydrophobicContact CB-CD1 4.41Å; M90-F92 HydrophobicContact CB-CE1 3.76Å; M90-F92 HydrophobicContact CB-CE2 4.11Å; M90-F92 HydrophobicContact CB-CZ 3.58Å; M90-F92 HydrophobicContact CG-CE1 3.99Å; M90-F92 HydrophobicContact CG-CZ 3.79Å; M90-F92 WeakPolarHBondContact O-CG 3.35Å; M90-F92 PolarHBondContact O-N 2.88Å; M90-F92 HydrophobicContact SD-CZ 4.2Å; F92-V261 HydrophobicContact CE2-CG1 4.18Å; F92-V261 HydrophobicContact CZ-CG1 4.18Å; F92-V265 HydrophobicContact CB-CG2 4.4Å; F92-V265 HydrophobicContact CD2-CG2 3.57Å; F92-V265 HydrophobicContact CE2-CG2 4.13Å; F92-V265 HydrophobicContact CG-CG2 4.25Å; F92-N293 HydrophobicContact CD2-CB 4.36Å; F92-N293 HydrophobicContact CE2-CB 4.07Å; F92-A294 HydrophobicContact CD2-CB 4.22Å; F92-L350 HydrophobicContact CB-CD1 4.25Å; F92-L350 HydrophobicContact CB-CD2 3.81Å; F92-L350 VanDerWaalsContact O-CD1 3.28Å; F92-L350 WeakPolarHBondContact O-CD1 3.38Å; F92-P376 HydrophobicContact CB-CG 4.23Å; F92-P376 HydrophobicContact CD1-CB 3.75Å; F92-P376 HydrophobicContact CD1-CG 3.52Å; F92-P376 HydrophobicContact CD2-CG 4Å; F92-P376 HydrophobicContact CE1-CB 4.1Å; F92-P376 HydrophobicContact CE1-CG 3.73Å; F92-P376 HydrophobicContact CE2-CG 4.19Å; F92-P376 HydrophobicContact CG-CB 4.25Å; F92-P376 HydrophobicContact CG-CG 3.67Å; F92-P376 HydrophobicContact CZ-CG 4.07Å; F92-S429 CarbonylContact O-C 3.53Å; F92-S429 VanDerWaalsContact O-CA 3.26Å; F92-S429 WeakPolarHBondContact O-CA 3.26Å; F92-S430 PolarHBondContact O-N 3.31Å |
| 93 | L | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 4.8 | -177.8 | -59.9 | 179.6 | 0 | 0 | 0 | 113.3 | N91 L95 A294 M340 R346 L350 S430 | N91-L93 PolarHBondContact O-N 2.88Å; L93-L95 HydrophobicContact CB-CD1 3.94Å; L93-L95 HydrophobicContact CB-CG 3.83Å; L93-L95 HydrophobicContact CD1-CD1 4.21Å; L93-L95 PolarHBondContact O-N 3.19Å; L93-A294 HydrophobicContact CD1-CB 3.98Å; L93-A294 HydrophobicContact CG-CB 4.16Å; L93-M340 HydrophobicContact CD1-CE 3.98Å; L93-M340 HydrophobicContact CD1-CG 3.79Å; L93-M340 HydrophobicContact CD1-SD 4.15Å; L93-R346 HydrophobicContact CB-CG 4.26Å; L93-R346 HydrophobicContact CD2-CG 4.05Å; L93-R346 WeakPolarHBondContact O-CD 3.23Å; L93-R346 PolarHBondContact O-NH1 2.88Å; L93-L350 HydrophobicContact CD2-CB 4.27Å; L93-L350 HydrophobicContact CD2-CD2 3.65Å; L93-S430 VanDerWaalsContact C-OG 3.27Å; L93-S430 WeakPolarHBondContact CA-OG 3.46Å; L93-S430 PolarHBondContact O-OG 2.93Å |
| 94 | G | 97.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 64.7 | 21.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N91 | N91-G94 WeakPolarHBondContact ND2-CA 3.42Å; N91-G94 PolarHBondContact O-N 3.27Å; N91-G94 WeakPolarHBondContact OD1-CA 3.5Å; N91-G94 PolarHBondContact OD1-N 2.92Å |
| 95 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -84.5 | -20.5 | -171.2 | -65.3 | 178.9 | 0 | 0 | 0 | 113.3 | N91 L93 C97 H98 I339 M340 | N91-L95 PolarHBondContact OD1-N 3.47Å; L93-L95 HydrophobicContact CB-CD1 3.94Å; L93-L95 HydrophobicContact CB-CG 3.83Å; L93-L95 HydrophobicContact CD1-CD1 4.21Å; L93-L95 PolarHBondContact O-N 3.19Å; L95-C97 PolarHBondContact O-N 3.3Å; L95-C97 VanDerWaalsContact O-N 3.13Å; L95-H98 HydrophobicContact CD2-CB 4.31Å; L95-H98 PolarHBondContact O-N 2.99Å; L95-I339 HydrophobicContact CD2-CB 4.15Å; L95-I339 HydrophobicContact CD2-CD1 4.17Å; L95-I339 HydrophobicContact CD2-CG2 3.67Å; L95-M340 HydrophobicContact CD1-CE 3.66Å; L95-M340 HydrophobicContact CD1-CG 3.86Å | ||
| 96 | A | 95.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N91 G296 | N91-A96 PolarHBondContact OD1-N 3.4Å; A96-G296 WeakPolarHBondContact CA-O 3.4Å |
| 97 | C | 95 | Very high | 97.5 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 19.8 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | K72 D74 L95 E102 | K72-C97 HydrophobicContact CD-CB 4.14Å; D74-C97 HydrophobicContact CB-CB 3.99Å; D74-C97 WeakPolarHBondContact OD2-CB 3.45Å; L95-C97 PolarHBondContact O-N 3.3Å; L95-C97 VanDerWaalsContact O-N 3.13Å; C97-E102 WeakPolarHBondContact CA-OE1 3.43Å |
| 98 | H | 97.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 33.6 Ų | 33.6 | 19% | 0.194 | 20% | 0.198 | C | C | . | . | trans | -69.6 | 129.4 | 179.8 | -175.7 | -77.1 | 0 | 0 | 0 | 110 | L95 S100 V101 E102 | L95-H98 HydrophobicContact CD2-CB 4.31Å; L95-H98 PolarHBondContact O-N 2.99Å; H98-S100 VanDerWaalsContact C-N 3.29Å; H98-S100 PolarHBondContact CE1-OG 3.16Å; H98-S100 PolarHBondContact ND1-N 3.38Å; H98-S100 VanDerWaalsContact ND1-N 3.19Å; H98-S100 PolarHBondContact O-N 3.06Å; H98-S100 VanDerWaalsContact O-N 3.1Å; H98-V101 HydrophobicContact CB-CB 4.29Å; H98-V101 HydrophobicContact CB-CG2 3.91Å; H98-V101 WeakPolarHBondContact O-CA 3.32Å; H98-V101 WeakPolarHBondContact O-CB 3.44Å; H98-V101 PolarHBondContact O-N 3.47Å; H98-E102 PolarHBondContact O-N 3.46Å; H98-E102 VanDerWaalsContact O-N 3.1Å | ||
| 99 | P | 97.9 | Very high | 97.6 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -53.3 | -40.2 | -173.7 | -30.7 | 36 | 0 | 0 | 0 | 114.6 | V101 E102 E103 | P99-V101 VanDerWaalsContact C-N 3.31Å; P99-V101 PolarHBondContact O-N 3.27Å; P99-E102 PolarHBondContact O-N 2.87Å; P99-E103 WeakPolarHBondContact O-CG 3.46Å; P99-E103 PolarHBondContact O-N 3.17Å |
| 100 | S | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67 | -29.7 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | H98 A104 | H98-S100 VanDerWaalsContact C-N 3.29Å; H98-S100 PolarHBondContact CE1-OG 3.16Å; H98-S100 PolarHBondContact ND1-N 3.38Å; H98-S100 VanDerWaalsContact ND1-N 3.19Å; H98-S100 PolarHBondContact O-N 3.06Å; H98-S100 VanDerWaalsContact O-N 3.1Å; S100-A104 WeakPolarHBondContact O-CB 3.41Å; S100-A104 PolarHBondContact O-N 2.81Å |
| 101 | V | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72 | -41.7 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 109.4 | H98 P99 A104 A105 R335 S336 I339 | H98-V101 HydrophobicContact CB-CB 4.29Å; H98-V101 HydrophobicContact CB-CG2 3.91Å; H98-V101 WeakPolarHBondContact O-CA 3.32Å; H98-V101 WeakPolarHBondContact O-CB 3.44Å; H98-V101 PolarHBondContact O-N 3.47Å; P99-V101 VanDerWaalsContact C-N 3.31Å; P99-V101 PolarHBondContact O-N 3.27Å; V101-A104 PolarHBondContact O-N 2.78Å; V101-A105 PolarHBondContact O-N 2.8Å; V101-R335 HydrophobicContact CG2-CB 4.43Å; V101-R335 HydrophobicContact CG2-CG 4.23Å; V101-S336 WeakPolarHBondContact CG2-OG 3.48Å; V101-I339 HydrophobicContact CG2-CD1 3.78Å |
| 102 | E | 98.2 | Very high | 97.5 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 174.3 | -63.9 | -179.2 | -177.6 | 0 | 0 | 111.7 | K72 C97 H98 P99 A104 A105 I106 | K72-E102 WeakPolarHBondContact CE-OE1 3.29Å; K72-E102 IonicContact NZ-OE1 2.7Å; K72-E102 PolarHBondContact NZ-OE1 3.48Å; K72-E102 IonicContact NZ-OE2 2.6Å; K72-E102 PolarHBondContact NZ-OE2 2.97Å; C97-E102 WeakPolarHBondContact CA-OE1 3.43Å; H98-E102 PolarHBondContact O-N 3.46Å; H98-E102 VanDerWaalsContact O-N 3.1Å; P99-E102 PolarHBondContact O-N 2.87Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.44Å; E102-A105 PolarHBondContact O-N 3.15Å; E102-I106 VanDerWaalsContact O-CG1 3.29Å; E102-I106 WeakPolarHBondContact O-CG1 3.35Å; E102-I106 PolarHBondContact O-N 2.99Å |
| 103 | E | 98.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 176 | -77.2 | -61.5 | 149 | 0 | 0 | 112.3 | P99 A105 I106 N107 | P99-E103 WeakPolarHBondContact O-CG 3.46Å; P99-E103 PolarHBondContact O-N 3.17Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 3.41Å; E103-I106 PolarHBondContact O-N 2.73Å; E103-N107 WeakPolarHBondContact O-CB 3.3Å; E103-N107 VanDerWaalsContact O-CG 3.22Å; E103-N107 PolarHBondContact O-N 3.46Å; E103-N107 PolarHBondContact O-ND2 3.48Å |
| 104 | A | 98.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S100 V101 E102 A108 R335 | S100-A104 WeakPolarHBondContact O-CB 3.41Å; S100-A104 PolarHBondContact O-N 2.81Å; V101-A104 PolarHBondContact O-N 2.78Å; E102-A104 VanDerWaalsContact C-N 3.35Å; E102-A104 PolarHBondContact O-N 3.44Å; A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.08Å; A104-R335 HydrophobicContact CB-CB 3.77Å; A104-R335 HydrophobicContact CB-CG 4.24Å |
| 105 | A | 98.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 58 Ų | 58 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V101 E102 E103 N107 A108 V109 P328 | V101-A105 PolarHBondContact O-N 2.8Å; E102-A105 PolarHBondContact O-N 3.15Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 3.41Å; A105-N107 VanDerWaalsContact C-N 3.35Å; A105-N107 PolarHBondContact O-N 3.37Å; A105-A108 WeakPolarHBondContact O-CB 3.5Å; A105-A108 PolarHBondContact O-N 2.98Å; A105-V109 WeakPolarHBondContact O-CG2 3.23Å; A105-V109 PolarHBondContact O-N 2.93Å; A105-P328 HydrophobicContact CB-CB 4.07Å; A105-P328 WeakPolarHBondContact CB-O 3.29Å |
| 106 | I | 98.5 | Very high | 95.8 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 36% | 0.359 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.6 | -69.8 | 164.3 | 0 | 0 | 0 | 110.8 | E102 E103 A108 V109 R110 | E102-I106 VanDerWaalsContact O-CG1 3.29Å; E102-I106 WeakPolarHBondContact O-CG1 3.35Å; E102-I106 PolarHBondContact O-N 2.99Å; E103-I106 PolarHBondContact O-N 2.73Å; I106-A108 VanDerWaalsContact C-N 3.31Å; I106-A108 PolarHBondContact O-N 3.34Å; I106-V109 WeakPolarHBondContact O-CB 3.4Å; I106-V109 PolarHBondContact O-N 3.26Å; I106-R110 WeakPolarHBondContact O-CG 3.48Å; I106-R110 PolarHBondContact O-N 2.79Å |
| 107 | N | 98.2 | Very high | 95.3 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 177.9 | -71.4 | -36.2 | 0 | 0 | 0 | 111.9 | E103 A105 R110 R111 | E103-N107 WeakPolarHBondContact O-CB 3.3Å; E103-N107 VanDerWaalsContact O-CG 3.22Å; E103-N107 PolarHBondContact O-N 3.46Å; E103-N107 PolarHBondContact O-ND2 3.48Å; A105-N107 VanDerWaalsContact C-N 3.35Å; A105-N107 PolarHBondContact O-N 3.37Å; N107-R110 PolarHBondContact O-N 2.79Å; N107-R110 PolarHBondContact OD1-NH1 2.86Å; N107-R111 WeakPolarHBondContact O-CB 3.5Å; N107-R111 PolarHBondContact O-N 3.34Å |
| 108 | A | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A104 A105 I106 R110 R111 L112 A331 | A104-A108 WeakPolarHBondContact O-CB 3.42Å; A104-A108 PolarHBondContact O-N 3.08Å; A105-A108 WeakPolarHBondContact O-CB 3.5Å; A105-A108 PolarHBondContact O-N 2.98Å; I106-A108 VanDerWaalsContact C-N 3.31Å; I106-A108 PolarHBondContact O-N 3.34Å; A108-R110 VanDerWaalsContact C-N 3.31Å; A108-R110 PolarHBondContact O-N 3.31Å; A108-R111 PolarHBondContact O-N 3.36Å; A108-L112 WeakPolarHBondContact O-CA 3.33Å; A108-L112 VanDerWaalsContact O-CB 3.25Å; A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 PolarHBondContact O-N 2.91Å; A108-A331 HydrophobicContact CB-CB 3.48Å; A108-A331 VanDerWaalsContact CB-CB 3.48Å |
| 109 | V | 97.7 | Very high | 94.4 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 173 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | A105 I106 R111 G113 V114 P328 | A105-V109 WeakPolarHBondContact O-CG2 3.23Å; A105-V109 PolarHBondContact O-N 2.93Å; I106-V109 WeakPolarHBondContact O-CB 3.4Å; I106-V109 PolarHBondContact O-N 3.26Å; V109-R111 VanDerWaalsContact C-N 3.35Å; V109-R111 PolarHBondContact O-N 3.39Å; V109-G113 VanDerWaalsContact O-CA 3.31Å; V109-G113 WeakPolarHBondContact O-CA 3.48Å; V109-G113 PolarHBondContact O-N 2.91Å; V109-V114 HydrophobicContact CG1-CG1 4.4Å; V109-P328 HydrophobicContact CB-CG 4.46Å; V109-P328 HydrophobicContact CG2-CB 3.84Å; V109-P328 HydrophobicContact CG2-CG 3.33Å |
| 110 | R | 97.5 | Very high | 94.1 | Very high | 187 Ų | 187 | 57.8 Ų | 57.8 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | -179.2 | -69.5 | 174.6 | 178.8 | 151.1 | -0.6 | 113 | I106 N107 A108 | I106-R110 WeakPolarHBondContact O-CG 3.48Å; I106-R110 PolarHBondContact O-N 2.79Å; N107-R110 PolarHBondContact O-N 2.79Å; N107-R110 PolarHBondContact OD1-NH1 2.86Å; A108-R110 VanDerWaalsContact C-N 3.31Å; A108-R110 PolarHBondContact O-N 3.31Å |
| 111 | R | 96.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 57.7 Ų | 57.7 | 59% | 0.585 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -89.4 | -38.8 | -174.9 | -173.6 | 176.6 | 74.1 | 111.1 | -0.4 | 113.6 | N107 A108 V109 D127 | N107-R111 WeakPolarHBondContact O-CB 3.5Å; N107-R111 PolarHBondContact O-N 3.34Å; A108-R111 PolarHBondContact O-N 3.36Å; V109-R111 VanDerWaalsContact C-N 3.35Å; V109-R111 PolarHBondContact O-N 3.39Å; R111-D127 IonicContact CZ-OD2 2.98Å; R111-D127 IonicContact NH1-OD2 3.98Å; R111-D127 PolarHBondContact NH1-OD2 3.16Å; R111-D127 IonicContact NH2-OD1 2.78Å; R111-D127 IonicContact NH2-OD2 3.1Å; R111-D127 PolarHBondContact NH2-OD2 3.1Å; R111-D127 VanDerWaalsContact NH2-OD2 3.11Å |
| 112 | L | 93.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 18% | 0.183 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -120.7 | -7.6 | -163.7 | -61.5 | -176.4 | 0 | 0 | 0 | 113.2 | A108 M126 V128 | A108-L112 WeakPolarHBondContact O-CA 3.33Å; A108-L112 VanDerWaalsContact O-CB 3.25Å; A108-L112 WeakPolarHBondContact O-CB 3.4Å; A108-L112 PolarHBondContact O-N 2.91Å; L112-M126 HydrophobicContact CB-CE 3.6Å; L112-M126 HydrophobicContact CD1-CE 4.01Å; L112-M126 HydrophobicContact CD2-CE 3.74Å; L112-M126 HydrophobicContact CG-CE 3.96Å; L112-V128 HydrophobicContact CD1-CB 4.04Å; L112-V128 HydrophobicContact CD1-CG1 3.75Å |
| 113 | G | 93 | Very high | 92.2 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | trans | 72.9 | -166.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V109 S327 | V109-G113 VanDerWaalsContact O-CA 3.31Å; V109-G113 WeakPolarHBondContact O-CA 3.48Å; V109-G113 PolarHBondContact O-N 2.91Å; G113-S327 PolarHBondContact O-OG 2.85Å | ||
| 114 | V | 91.4 | Very high | 91.8 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -92 | -9 | -171.7 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | V109 P326 | V109-V114 HydrophobicContact CG1-CG1 4.4Å; V114-P326 WeakPolarHBondContact O-CB 3.1Å |
| 115 | G | 87.1 | Confident | 91.6 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | trans | 165.8 | 178 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 116 | T | 84.7 | Confident | 91.4 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -98.3 | -17.6 | -174.3 | 62 | 0 | 0 | 0 | 0 | 114.6 | G118 M126 S324 | T116-G118 PolarHBondContact O-N 2.61Å; T116-G118 PolarHBondContact OG1-N 3.48Å; T116-G118 PolarHBondContact OG1-O 3.41Å; T116-G118 VanDerWaalsContact OG1-O 3.1Å; T116-M126 HydrophobicContact CG2-CG 3.41Å; T116-M126 VanDerWaalsContact CG2-CG 3.41Å; T116-M126 HydrophobicContact CG2-SD 3.39Å; T116-M126 WeakPolarHBondContact CG2-SD 3.45Å; T116-S324 VanDerWaalsContact CG2-OG 3.3Å; T116-S324 WeakPolarHBondContact CG2-OG 3.33Å; T116-S324 PolarHBondContact OG1-OG 3.34Å | ||
| 117 | C | 84.2 | Confident | 91.2 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 82% | 0.824 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 52.6 | 24 | -170.7 | -59 | 0 | 0 | 0 | 0 | 114 | ||
| 118 | G | 86.9 | Confident | 91.1 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -146.6 | 154.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T116 G124 A323 S324 | T116-G118 PolarHBondContact O-N 2.61Å; T116-G118 PolarHBondContact OG1-N 3.48Å; T116-G118 PolarHBondContact OG1-O 3.41Å; T116-G118 VanDerWaalsContact OG1-O 3.1Å; G118-G124 VanDerWaalsContact O-CA 3.32Å; G118-G124 WeakPolarHBondContact O-CA 3.22Å; G118-A323 WeakPolarHBondContact O-CA 3.19Å; G118-S324 PolarHBondContact O-N 2.81Å |
| 119 | P | 87.8 | Confident | 91.1 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 153.6 | 179.7 | 31.3 | -36.2 | 0 | 0 | 0 | 113.6 | A121 F122 G124 C320 S322 | P119-A121 PolarHBondContact O-N 3.37Å; P119-F122 HydrophobicContact CG-CB 4.23Å; P119-F122 HydrophobicContact CG-CD2 3.72Å; P119-F122 HydrophobicContact CG-CG 4.4Å; P119-F122 PolarHBondContact O-N 3.44Å; P119-F122 VanDerWaalsContact O-N 3.08Å; P119-G124 VanDerWaalsContact O-CA 3.25Å; P119-G124 WeakPolarHBondContact O-CA 3.42Å; P119-G124 PolarHBondContact O-N 3.23Å; P119-C320 WeakPolarHBondContact CB-O 3.46Å; P119-S322 WeakPolarHBondContact CA-O 2.94Å; P119-S322 VanDerWaalsContact CB-O 3.31Å; P119-S322 WeakPolarHBondContact CB-O 3.46Å |
| 120 | R | 90.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -28.2 | -177.1 | -68.6 | -61.9 | -51 | -71.6 | 2.7 | 114 | F122 T125 E133 L147 Y319 | R120-F122 VanDerWaalsContact C-N 3.31Å; R120-F122 PolarHBondContact O-N 3Å; R120-T125 PolarHBondContact NE-OG1 3.09Å; R120-T125 PolarHBondContact O-OG1 3.13Å; R120-T125 VanDerWaalsContact O-OG1 3.04Å; R120-E133 IonicContact CZ-OE1 3.24Å; R120-E133 IonicContact NH1-OE1 3.97Å; R120-E133 PolarHBondContact NH1-OE1 3.03Å; R120-E133 IonicContact NH2-OE1 3.77Å; R120-E133 PolarHBondContact NH2-OE1 2.94Å; R120-E133 IonicContact NH2-OE2 3.4Å; R120-L147 PolarHBondContact NH1-O 3.36Å; R120-Y319 HydrophobicContact CB-CD1 4Å; R120-Y319 HydrophobicContact CB-CD2 4.13Å; R120-Y319 HydrophobicContact CB-CE1 3.62Å; R120-Y319 HydrophobicContact CB-CE2 3.77Å; R120-Y319 HydrophobicContact CB-CG 4.24Å; R120-Y319 VanDerWaalsContact CB-CZ 3.5Å; R120-Y319 HydrophobicContact CG-CD2 4.45Å; R120-Y319 HydrophobicContact CG-CE2 4.17Å |
| 121 | A | 86.5 | Confident | 91.1 | Very high | 46 Ų | 46 | 60 Ų | 60 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | P119 Y319 C320 | P119-A121 PolarHBondContact O-N 3.37Å; A121-Y319 HydrophobicContact CB-CE1 4.49Å; A121-C320 HydrophobicContact CB-CB 4.24Å |
| 122 | F | 83.1 | Confident | 91.2 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 63% | 0.632 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -112.1 | -179.6 | -64.2 | -92.5 | 0 | 0 | 0 | 110.4 | P119 R120 | P119-F122 HydrophobicContact CG-CB 4.23Å; P119-F122 HydrophobicContact CG-CD2 3.72Å; P119-F122 HydrophobicContact CG-CG 4.4Å; P119-F122 PolarHBondContact O-N 3.44Å; P119-F122 VanDerWaalsContact O-N 3.08Å; R120-F122 VanDerWaalsContact C-N 3.31Å; R120-F122 PolarHBondContact O-N 3Å |
| 123 | Y | 85.4 | Confident | 91.5 | Very high | 179 Ų | 179 | 51.4 Ų | 51.4 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 13.4 | -176.2 | 49.3 | -98.2 | 0 | 0 | 0 | 113.7 | ||
| 124 | G | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -92.7 | 10.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | G118 P119 H129 S324 | G118-G124 VanDerWaalsContact O-CA 3.32Å; G118-G124 WeakPolarHBondContact O-CA 3.22Å; P119-G124 VanDerWaalsContact O-CA 3.25Å; P119-G124 WeakPolarHBondContact O-CA 3.42Å; P119-G124 PolarHBondContact O-N 3.23Å; G124-H129 PolarHBondContact O-CE1 2.83Å; G124-H129 PolarHBondContact O-ND1 3.3Å; G124-S324 WeakPolarHBondContact O-CB 3.4Å; G124-S324 PolarHBondContact O-OG 3.18Å | ||
| 125 | T | 94.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | trans | -99.2 | 130.6 | -177.9 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | R120 L130 | R120-T125 PolarHBondContact NE-OG1 3.09Å; R120-T125 PolarHBondContact O-OG1 3.13Å; R120-T125 VanDerWaalsContact O-OG1 3.04Å; T125-L130 HydrophobicContact CG2-CD1 4.22Å; T125-L130 HydrophobicContact CG2-CD2 3.86Å; T125-L130 HydrophobicContact CG2-CG 3.92Å | ||
| 126 | M | 93.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | trans | -119 | 161.7 | 177.7 | -57.9 | -174.2 | 75.5 | 0 | 0 | 109.5 | L112 T116 V128 H129 L130 | L112-M126 HydrophobicContact CB-CE 3.6Å; L112-M126 HydrophobicContact CD1-CE 4.01Å; L112-M126 HydrophobicContact CD2-CE 3.74Å; L112-M126 HydrophobicContact CG-CE 3.96Å; T116-M126 HydrophobicContact CG2-CG 3.41Å; T116-M126 VanDerWaalsContact CG2-CG 3.41Å; T116-M126 HydrophobicContact CG2-SD 3.39Å; T116-M126 WeakPolarHBondContact CG2-SD 3.45Å; M126-V128 HydrophobicContact CB-CG1 4.08Å; M126-V128 PolarHBondContact O-N 3.29Å; M126-H129 PolarHBondContact N-ND1 3.38Å; M126-H129 WeakPolarHBondContact O-CB 3.4Å; M126-H129 PolarHBondContact O-N 2.86Å; M126-H129 VanDerWaalsContact O-N 3.1Å; M126-L130 PolarHBondContact O-N 3.23Å | ||
| 127 | D | 93.8 | Very high | 93.3 | Very high | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52 | -43.6 | 175.4 | 64.9 | -23.4 | 0 | 0 | 0 | 112.2 | R111 H129 L130 Q131 | R111-D127 IonicContact CZ-OD2 2.98Å; R111-D127 IonicContact NH1-OD2 3.98Å; R111-D127 PolarHBondContact NH1-OD2 3.16Å; R111-D127 IonicContact NH2-OD1 2.78Å; R111-D127 IonicContact NH2-OD2 3.1Å; R111-D127 PolarHBondContact NH2-OD2 3.1Å; R111-D127 VanDerWaalsContact NH2-OD2 3.11Å; D127-H129 VanDerWaalsContact C-N 3.3Å; D127-H129 PolarHBondContact O-N 2.86Å; D127-L130 PolarHBondContact O-N 3.27Å; D127-L130 VanDerWaalsContact O-N 3.15Å; D127-Q131 WeakPolarHBondContact O-CG 3.28Å; D127-Q131 PolarHBondContact O-N 2.92Å |
| 128 | V | 96.7 | Very high | 94 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | -179.3 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | L112 M126 L132 T330 A331 | L112-V128 HydrophobicContact CD1-CB 4.04Å; L112-V128 HydrophobicContact CD1-CG1 3.75Å; M126-V128 HydrophobicContact CB-CG1 4.08Å; M126-V128 PolarHBondContact O-N 3.29Å; V128-L132 PolarHBondContact O-N 3.19Å; V128-T330 HydrophobicContact CB-CG2 4.36Å; V128-T330 HydrophobicContact CG1-CG2 4.08Å; V128-T330 HydrophobicContact CG2-CG2 3.8Å; V128-T330 WeakPolarHBondContact O-CG2 3.36Å; V128-A331 HydrophobicContact CG2-CB 4.12Å |
| 129 | H | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 175 | -56.2 | 142.2 | 0 | 0 | 0 | 110.8 | G124 M126 D127 L132 E133 L147 S324 L325 T330 | G124-H129 PolarHBondContact O-CE1 2.83Å; G124-H129 PolarHBondContact O-ND1 3.3Å; M126-H129 PolarHBondContact N-ND1 3.38Å; M126-H129 WeakPolarHBondContact O-CB 3.4Å; M126-H129 PolarHBondContact O-N 2.86Å; M126-H129 VanDerWaalsContact O-N 3.1Å; D127-H129 VanDerWaalsContact C-N 3.3Å; D127-H129 PolarHBondContact O-N 2.86Å; H129-L132 PolarHBondContact O-N 3.45Å; H129-E133 WeakPolarHBondContact O-CG 3.44Å; H129-E133 PolarHBondContact O-N 3.46Å; H129-L147 HydrophobicContact CB-CD2 4.36Å; H129-S324 PolarHBondContact CE1-OG 3.13Å; H129-L325 PolarHBondContact NE2-O 2.94Å; H129-T330 PolarHBondContact CD2-OG1 2.95Å |
| 130 | L | 97.2 | Very high | 95 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.8 | -36.2 | -179.5 | -59.5 | -179.8 | 0 | 0 | 0 | 111.6 | T125 M126 D127 E133 D134 | T125-L130 HydrophobicContact CG2-CD1 4.22Å; T125-L130 HydrophobicContact CG2-CD2 3.86Å; T125-L130 HydrophobicContact CG2-CG 3.92Å; M126-L130 PolarHBondContact O-N 3.23Å; D127-L130 PolarHBondContact O-N 3.27Å; D127-L130 VanDerWaalsContact O-N 3.15Å; L130-E133 PolarHBondContact O-N 3.06Å; L130-D134 WeakPolarHBondContact O-CB 3.26Å; L130-D134 PolarHBondContact O-N 3.45Å |
| 131 | Q | 98.6 | Very high | 95.3 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 173.3 | -70.8 | 168.5 | 28.1 | 0 | 0 | 111.5 | D127 R135 L334 | D127-Q131 WeakPolarHBondContact O-CG 3.28Å; D127-Q131 PolarHBondContact O-N 2.92Å; Q131-R135 VanDerWaalsContact O-CB 3.32Å; Q131-R135 WeakPolarHBondContact O-CB 3.31Å; Q131-R135 PolarHBondContact O-N 2.98Å; Q131-L334 HydrophobicContact CB-CD2 4.07Å |
| 132 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -43.1 | 176.4 | -179.3 | 56.8 | 0 | 0 | 0 | 111.9 | V128 H129 R135 L136 L147 L291 T330 A333 L334 L337 | V128-L132 PolarHBondContact O-N 3.19Å; H129-L132 PolarHBondContact O-N 3.45Å; L132-R135 PolarHBondContact O-N 2.98Å; L132-L136 HydrophobicContact CD1-CD1 3.89Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CD1 3.77Å; L132-L136 HydrophobicContact CG-CG 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.28Å; L132-L147 HydrophobicContact CD2-CD1 3.69Å; L132-L147 HydrophobicContact CD2-CD2 3.91Å; L132-L147 HydrophobicContact CD2-CG 4.45Å; L132-L147 HydrophobicContact CG-CD1 4.33Å; L132-L291 HydrophobicContact CD2-CD1 4.33Å; L132-T330 HydrophobicContact CB-CG2 3.97Å; L132-T330 HydrophobicContact CD2-CG2 3.68Å; L132-T330 HydrophobicContact CG-CG2 4.49Å; L132-A333 HydrophobicContact CD1-CB 4.43Å; L132-A333 HydrophobicContact CD2-CB 3.76Å; L132-L334 HydrophobicContact CD1-CB 4.14Å; L132-L334 HydrophobicContact CD1-CD1 4.38Å; L132-L337 HydrophobicContact CD1-CD2 4.37Å |
| 133 | E | 98.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 176 | -77.3 | 179.1 | -172.2 | 0 | 0 | 112.2 | R120 H129 L130 R135 L136 A137 A145 L147 R313 | R120-E133 IonicContact CZ-OE1 3.24Å; R120-E133 IonicContact NH1-OE1 3.97Å; R120-E133 PolarHBondContact NH1-OE1 3.03Å; R120-E133 IonicContact NH2-OE1 3.77Å; R120-E133 PolarHBondContact NH2-OE1 2.94Å; R120-E133 IonicContact NH2-OE2 3.4Å; H129-E133 WeakPolarHBondContact O-CG 3.44Å; H129-E133 PolarHBondContact O-N 3.46Å; L130-E133 PolarHBondContact O-N 3.06Å; E133-R135 VanDerWaalsContact C-N 3.34Å; E133-R135 PolarHBondContact O-N 3.14Å; E133-L136 PolarHBondContact O-N 3.35Å; E133-A137 WeakPolarHBondContact O-CB 3.45Å; E133-A137 PolarHBondContact O-N 3.49Å; E133-A145 WeakPolarHBondContact CG-O 3.36Å; E133-L147 HydrophobicContact CG-CB 3.82Å; E133-L147 WeakPolarHBondContact OE1-CB 3.28Å; E133-L147 PolarHBondContact OE1-N 3.29Å; E133-R313 IonicContact OE2-NH2 3.64Å; E133-R313 PolarHBondContact OE2-NH2 2.76Å; E133-R313 VanDerWaalsContact OE2-NH2 3.1Å |
| 134 | D | 98.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 43% | 0.428 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -43.1 | 176.3 | 172.6 | 74.9 | 0 | 0 | 0 | 111.5 | L130 A137 K138 | L130-D134 WeakPolarHBondContact O-CB 3.26Å; L130-D134 PolarHBondContact O-N 3.45Å; D134-A137 PolarHBondContact O-N 2.7Å; D134-K138 VanDerWaalsContact CG-NZ 3.27Å; D134-K138 WeakPolarHBondContact O-CB 3.43Å; D134-K138 WeakPolarHBondContact O-CG 3.44Å; D134-K138 PolarHBondContact O-N 2.89Å; D134-K138 WeakPolarHBondContact OD1-CE 3.27Å; D134-K138 IonicContact OD1-NZ 2.91Å; D134-K138 PolarHBondContact OD1-NZ 2.87Å; D134-K138 WeakPolarHBondContact OD2-CE 3.3Å; D134-K138 IonicContact OD2-NZ 3.1Å; D134-K138 PolarHBondContact OD2-NZ 3.47Å |
| 135 | R | 98.7 | Very high | 97.5 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.1 | -40.6 | 179.7 | -165.3 | 69.7 | 178.2 | 109.4 | -11.4 | 112.2 | Q131 L132 E133 K138 F139 L334 L337 | Q131-R135 VanDerWaalsContact O-CB 3.32Å; Q131-R135 WeakPolarHBondContact O-CB 3.31Å; Q131-R135 PolarHBondContact O-N 2.98Å; L132-R135 PolarHBondContact O-N 2.98Å; E133-R135 VanDerWaalsContact C-N 3.34Å; E133-R135 PolarHBondContact O-N 3.14Å; R135-K138 PolarHBondContact O-N 3.1Å; R135-F139 WeakPolarHBondContact O-CB 3.29Å; R135-F139 PolarHBondContact O-N 3.47Å; R135-L334 HydrophobicContact CB-CD1 3.77Å; R135-L334 HydrophobicContact CG-CD1 3.87Å; R135-L337 HydrophobicContact CB-CD2 3.97Å; R135-L337 HydrophobicContact CG-CD2 3.54Å; R135-L337 HydrophobicContact CG-CG 4.17Å |
| 136 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.1 | -76.6 | 166.8 | 0 | 0 | 0 | 111.2 | L132 E133 K138 F139 M140 A145 L147 F263 L291 F301 L337 | L132-L136 HydrophobicContact CD1-CD1 3.89Å; L132-L136 HydrophobicContact CD1-CG 3.9Å; L132-L136 HydrophobicContact CG-CD1 3.77Å; L132-L136 HydrophobicContact CG-CG 4.28Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.28Å; E133-L136 PolarHBondContact O-N 3.35Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3.25Å; L136-F139 PolarHBondContact O-N 2.74Å; L136-M140 WeakPolarHBondContact O-CB 3.49Å; L136-M140 VanDerWaalsContact O-CG 3.28Å; L136-M140 WeakPolarHBondContact O-CG 3.41Å; L136-M140 PolarHBondContact O-N 2.88Å; L136-A145 HydrophobicContact CB-CB 4.06Å; L136-L147 HydrophobicContact CD1-CD1 4.46Å; L136-F263 HydrophobicContact CD2-CE2 4.41Å; L136-F263 HydrophobicContact CD2-CZ 4.01Å; L136-L291 HydrophobicContact CD2-CD2 4.47Å; L136-F301 HydrophobicContact CD1-CB 3.82Å; L136-F301 HydrophobicContact CD1-CD1 3.87Å; L136-F301 HydrophobicContact CD1-CD2 4.37Å; L136-F301 HydrophobicContact CD1-CG 3.76Å; L136-F301 HydrophobicContact CD2-CD1 3.87Å; L136-F301 HydrophobicContact CD2-CE1 3.71Å; L136-F301 HydrophobicContact CD2-CE2 4.41Å; L136-F301 HydrophobicContact CD2-CG 4.28Å; L136-F301 HydrophobicContact CD2-CZ 4.01Å; L136-F301 HydrophobicContact CG-CD1 4.49Å; L136-L337 HydrophobicContact CD2-CD2 3.78Å; L136-L337 HydrophobicContact CG-CD2 3.98Å |
| 137 | A | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E133 D134 F139 M140 G141 T142 A145 | E133-A137 WeakPolarHBondContact O-CB 3.45Å; E133-A137 PolarHBondContact O-N 3.49Å; D134-A137 PolarHBondContact O-N 2.7Å; A137-F139 PolarHBondContact O-N 2.6Å; A137-M140 PolarHBondContact O-N 3.07Å; A137-G141 PolarHBondContact O-N 2.7Å; A137-T142 PolarHBondContact O-N 3.26Å; A137-A145 HydrophobicContact CB-CB 4.24Å |
| 138 | K | 98.6 | Very high | 97.8 | Very high | 128 Ų | 128 | 34.9 Ų | 34.9 | 56% | 0.557 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.8 | -41.1 | 175.6 | -73.7 | 170.6 | -179.9 | 163.5 | 0 | 113 | D134 R135 L136 G141 | D134-K138 VanDerWaalsContact CG-NZ 3.27Å; D134-K138 WeakPolarHBondContact O-CB 3.43Å; D134-K138 WeakPolarHBondContact O-CG 3.44Å; D134-K138 PolarHBondContact O-N 2.89Å; D134-K138 WeakPolarHBondContact OD1-CE 3.27Å; D134-K138 IonicContact OD1-NZ 2.91Å; D134-K138 PolarHBondContact OD1-NZ 2.87Å; D134-K138 WeakPolarHBondContact OD2-CE 3.3Å; D134-K138 IonicContact OD2-NZ 3.1Å; D134-K138 PolarHBondContact OD2-NZ 3.47Å; R135-K138 PolarHBondContact O-N 3.1Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3.25Å; K138-G141 PolarHBondContact O-N 3.5Å |
| 139 | F | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 177.6 | 178.3 | -102.7 | 0 | 0 | 0 | 111.3 | R135 L136 A137 G141 F263 T269 R271 L337 I341 | R135-F139 WeakPolarHBondContact O-CB 3.29Å; R135-F139 PolarHBondContact O-N 3.47Å; L136-F139 PolarHBondContact O-N 2.74Å; A137-F139 PolarHBondContact O-N 2.6Å; F139-G141 VanDerWaalsContact C-N 3.26Å; F139-G141 PolarHBondContact O-N 3.45Å; F139-F263 AromaticContact CD1-CE2 3.67Å; F139-F263 HydrophobicContact CD1-CE2 3.67Å; F139-F263 HydrophobicContact CD1-CZ 4.15Å; F139-F263 HydrophobicContact CE1-CD2 4.21Å; F139-F263 AromaticContact CE1-CE2 3.5Å; F139-F263 HydrophobicContact CE1-CE2 3.5Å; F139-F263 VanDerWaalsContact CE1-CE2 3.5Å; F139-F263 AromaticContact CE1-CZ 3.98Å; F139-F263 HydrophobicContact CE1-CZ 3.98Å; F139-T269 WeakPolarHBondContact CZ-O 3.48Å; F139-R271 HydrophobicContact CD1-CG 4.27Å; F139-R271 HydrophobicContact CE1-CB 4.46Å; F139-R271 HydrophobicContact CE1-CG 3.88Å; F139-R271 HydrophobicContact CE2-CG 4.38Å; F139-R271 HydrophobicContact CZ-CG 3.95Å; F139-R271 WeakPolarHBondContact O-CD 3.46Å; F139-R271 WeakPolarHBondContact O-CG 3.42Å; F139-R271 PolarHBondContact O-NE 3.05Å; F139-R271 PolarHBondContact O-NH1 2.85Å; F139-R271 PolarHBondContact O-NH2 3.43Å; F139-L337 HydrophobicContact CB-CD1 4.07Å; F139-L337 HydrophobicContact CB-CD2 4.44Å; F139-L337 HydrophobicContact CD1-CD1 3.85Å; F139-L337 HydrophobicContact CD2-CD1 3.98Å; F139-L337 HydrophobicContact CE1-CD1 4.25Å; F139-L337 HydrophobicContact CE2-CD1 4.36Å; F139-L337 HydrophobicContact CG-CD1 3.69Å; F139-L337 HydrophobicContact CZ-CD1 4.48Å; F139-I341 HydrophobicContact CD2-CD1 3.63Å; F139-I341 HydrophobicContact CD2-CG1 3.68Å; F139-I341 HydrophobicContact CE2-CD1 4.32Å; F139-I341 HydrophobicContact CE2-CG1 3.87Å; F139-I341 HydrophobicContact CG-CD1 4.44Å |
| 140 | M | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.9 | -19.9 | 179.7 | -64 | -60.2 | -67.2 | 0 | 0 | 112.9 | L136 A137 T142 F263 R271 I287 F301 | L136-M140 WeakPolarHBondContact O-CB 3.49Å; L136-M140 VanDerWaalsContact O-CG 3.28Å; L136-M140 WeakPolarHBondContact O-CG 3.41Å; L136-M140 PolarHBondContact O-N 2.88Å; A137-M140 PolarHBondContact O-N 3.07Å; M140-T142 HydrophobicContact CB-CG2 4.16Å; M140-F263 HydrophobicContact SD-CD2 3.77Å; M140-F263 HydrophobicContact SD-CE2 3.68Å; M140-R271 WeakPolarHBondContact CE-O 3.28Å; M140-R271 HydrophobicContact SD-CB 4.45Å; M140-I287 HydrophobicContact CE-CD1 4.29Å; M140-I287 HydrophobicContact CE-CG2 4.02Å; M140-F301 HydrophobicContact CG-CE2 3.98Å; M140-F301 HydrophobicContact CG-CZ 4.29Å; M140-F301 HydrophobicContact SD-CE2 4.41Å; M140-F301 HydrophobicContact SD-CZ 4.24Å |
| 141 | G | 97 | Very high | 97 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 41% | 0.412 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 32.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A137 K138 F139 I281 | A137-G141 PolarHBondContact O-N 2.7Å; K138-G141 PolarHBondContact O-N 3.5Å; F139-G141 VanDerWaalsContact C-N 3.26Å; F139-G141 PolarHBondContact O-N 3.45Å; G141-I281 WeakPolarHBondContact O-CG2 3.45Å |
| 142 | T | 97.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | trans | -114.4 | 164.6 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | A137 M140 E144 I281 C303 | A137-T142 PolarHBondContact O-N 3.26Å; M140-T142 HydrophobicContact CB-CG2 4.16Å; T142-E144 PolarHBondContact OG1-O 3.19Å; T142-I281 HydrophobicContact CG2-CD1 4.42Å; T142-I281 HydrophobicContact CG2-CG1 3.77Å; T142-C303 HydrophobicContact CG2-CB 4.32Å; T142-C303 WeakPolarHBondContact OG1-CB 3.42Å | ||
| 143 | E | 97.8 | Very high | 96.3 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -66.7 | -46.5 | -179 | -62.1 | 176.4 | -166 | 0 | 0 | 112.2 | G304 S306 | E143-G304 PolarHBondContact N-O 2.68Å; E143-S306 WeakPolarHBondContact OE2-CB 3.26Å; E143-S306 PolarHBondContact OE2-N 2.96Å; E143-S306 PolarHBondContact OE2-OG 3.33Å |
| 144 | E | 97.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 29% | 0.285 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 163 | -177.7 | -65.9 | -171.6 | 179.6 | 0 | 0 | 111.7 | T142 C303 G304 I309 R313 | T142-E144 PolarHBondContact OG1-O 3.19Å; E144-C303 WeakPolarHBondContact O-CA 3.31Å; E144-C303 WeakPolarHBondContact O-CB 3.35Å; E144-G304 PolarHBondContact N-O 3.46Å; E144-G304 VanDerWaalsContact N-O 3.14Å; E144-G304 PolarHBondContact O-N 3Å; E144-G304 VanDerWaalsContact O-N 3.15Å; E144-I309 HydrophobicContact CB-CB 4.03Å; E144-I309 HydrophobicContact CB-CG1 4.09Å; E144-I309 HydrophobicContact CB-CG2 4.06Å; E144-R313 IonicContact OE2-CZ 3.81Å; E144-R313 IonicContact OE2-NH1 3.52Å; E144-R313 PolarHBondContact OE2-NH1 2.63Å; E144-R313 IonicContact OE2-NH2 2.8Å |
| 145 | A | 98 | Very high | 96.1 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E133 L136 A137 T302 C303 R313 | E133-A145 WeakPolarHBondContact CG-O 3.36Å; L136-A145 HydrophobicContact CB-CB 4.06Å; A137-A145 HydrophobicContact CB-CB 4.24Å; A145-T302 CarbonylContact C-O 3.57Å; A145-T302 WeakPolarHBondContact CA-O 3.46Å; A145-T302 WeakPolarHBondContact CB-O 3.25Å; A145-C303 HydrophobicContact CB-CB 3.92Å; A145-R313 PolarHBondContact O-NH2 3.37Å |
| 146 | A | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y148 F301 T302 I309 R313 Y319 | A146-Y148 HydrophobicContact CB-CE2 4.34Å; A146-Y148 WeakPolarHBondContact O-CD2 3.16Å; A146-F301 CarbonylContact O-C 3.54Å; A146-F301 WeakPolarHBondContact O-CA 3.48Å; A146-T302 PolarHBondContact N-O 2.97Å; A146-T302 PolarHBondContact O-N 2.76Å; A146-I309 HydrophobicContact CB-CG2 3.66Å; A146-R313 HydrophobicContact CB-CG 4.28Å; A146-Y319 HydrophobicContact CB-CD2 4.24Å; A146-Y319 HydrophobicContact CB-CE2 4.01Å |
| 147 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.8 | -177.7 | -176.1 | 77.4 | 0 | 0 | 0 | 111.8 | R120 H129 L132 E133 L136 L291 Y319 L325 T330 | R120-L147 PolarHBondContact NH1-O 3.36Å; H129-L147 HydrophobicContact CB-CD2 4.36Å; L132-L147 HydrophobicContact CD2-CD1 3.69Å; L132-L147 HydrophobicContact CD2-CD2 3.91Å; L132-L147 HydrophobicContact CD2-CG 4.45Å; L132-L147 HydrophobicContact CG-CD1 4.33Å; E133-L147 HydrophobicContact CG-CB 3.82Å; E133-L147 WeakPolarHBondContact OE1-CB 3.28Å; E133-L147 PolarHBondContact OE1-N 3.29Å; L136-L147 HydrophobicContact CD1-CD1 4.46Å; L147-L291 HydrophobicContact CD1-CD1 3.69Å; L147-Y319 WeakPolarHBondContact O-CD2 3.3Å; L147-L325 HydrophobicContact CD1-CD2 4.22Å; L147-L325 HydrophobicContact CD2-CB 4.18Å; L147-L325 HydrophobicContact CD2-CD2 3.97Å; L147-L325 HydrophobicContact CG-CD2 4.33Å; L147-T330 HydrophobicContact CD2-CG2 3.97Å |
| 148 | Y | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 154.3 | 177.8 | -66.4 | -106.3 | 0 | 0 | 0 | 110.3 | A146 T154 S157 G299 G300 T302 A316 | A146-Y148 HydrophobicContact CB-CE2 4.34Å; A146-Y148 WeakPolarHBondContact O-CD2 3.16Å; Y148-T154 WeakPolarHBondContact CB-OG1 3.32Å; Y148-T154 HydrophobicContact CD2-CG2 3.72Å; Y148-T154 HydrophobicContact CE2-CG2 4.14Å; Y148-T154 HydrophobicContact CG-CG2 4.02Å; Y148-S157 WeakPolarHBondContact CE1-OG 3.21Å; Y148-G299 VanDerWaalsContact O-CA 3.31Å; Y148-G299 WeakPolarHBondContact O-CA 3.33Å; Y148-G300 PolarHBondContact N-O 3.06Å; Y148-G300 PolarHBondContact O-N 3.37Å; Y148-G300 VanDerWaalsContact O-N 3.09Å; Y148-T302 HydrophobicContact CE2-CG2 3.79Å; Y148-A316 HydrophobicContact CE1-CB 3.97Å; Y148-A316 VanDerWaalsContact OH-CB 3.31Å; Y148-A316 WeakPolarHBondContact OH-CB 3.32Å |
| 149 | S | 92.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 11% | 0.112 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -85.1 | -14 | -172.2 | -41.1 | 0 | 0 | 0 | 0 | 114.1 | A323 S324 L325 | S149-A323 WeakPolarHBondContact CB-O 3.33Å; S149-A323 PolarHBondContact OG-O 3.44Å; S149-S324 WeakPolarHBondContact OG-CA 3.5Å; S149-L325 PolarHBondContact OG-N 3.49Å |
| 150 | Y | 91.2 | Very high | 95.5 | Very high | 123 Ų | 123 | 26.3 Ų | 26.3 | 48% | 0.482 | 15% | 0.147 | S | C | . | . | trans | -148.8 | 134.4 | -178.8 | -169.9 | -148.4 | 0 | 0 | 0 | 111.8 | I152 C153 T154 E292 T298 | Y150-I152 HydrophobicContact CD1-CG2 3.36Å; Y150-I152 HydrophobicContact CE1-CB 4.41Å; Y150-I152 HydrophobicContact CE1-CG2 3.06Å; Y150-I152 HydrophobicContact CE2-CG2 4.31Å; Y150-I152 HydrophobicContact CG-CG2 4.11Å; Y150-C153 HydrophobicContact CD1-CB 4.48Å; Y150-C153 PolarHBondContact O-N 3.5Å; Y150-T154 PolarHBondContact O-N 2.84Å; Y150-T154 PolarHBondContact O-OG1 2.88Å; Y150-E292 WeakPolarHBondContact CD2-OE1 3.46Å; Y150-T298 HydrophobicContact CD2-CG2 4.41Å | ||
| 151 | G | 91.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -54.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113 | C153 T154 E292 G299 | G151-C153 VanDerWaalsContact C-N 3.25Å; G151-C153 PolarHBondContact O-N 2.97Å; G151-T154 WeakPolarHBondContact O-CB 3.27Å; G151-T154 PolarHBondContact O-N 3Å; G151-T154 PolarHBondContact O-OG1 3.35Å; G151-E292 WeakPolarHBondContact CA-OE1 3.15Å; G151-E292 PolarHBondContact N-OE1 3.04Å; G151-G299 WeakPolarHBondContact CA-O 3.46Å; G151-G299 PolarHBondContact N-O 2.94Å |
| 152 | I | 91.8 | Very high | 95.2 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 28% | 0.277 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.2 | -37.7 | 178.1 | -166.3 | -175.5 | 0 | 0 | 0 | 112.5 | Y150 T154 A156 F177 A178 | Y150-I152 HydrophobicContact CD1-CG2 3.36Å; Y150-I152 HydrophobicContact CE1-CB 4.41Å; Y150-I152 HydrophobicContact CE1-CG2 3.06Å; Y150-I152 HydrophobicContact CE2-CG2 4.31Å; Y150-I152 HydrophobicContact CG-CG2 4.11Å; I152-T154 PolarHBondContact O-N 3.02Å; I152-A156 WeakPolarHBondContact O-CB 3.29Å; I152-A156 PolarHBondContact O-N 3.31Å; I152-F177 HydrophobicContact CD1-CD1 4Å; I152-F177 HydrophobicContact CD1-CE1 4.34Å; I152-A178 HydrophobicContact CB-CB 4.24Å; I152-A178 HydrophobicContact CD1-CB 4.47Å; I152-A178 HydrophobicContact CG1-CB 3.39Å |
| 153 | C | 90.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 24.1 Ų | 24.1 | 37% | 0.372 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -72.3 | -19.8 | 179.8 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | Y150 G151 S157 | Y150-C153 HydrophobicContact CD1-CB 4.48Å; Y150-C153 PolarHBondContact O-N 3.5Å; G151-C153 VanDerWaalsContact C-N 3.25Å; G151-C153 PolarHBondContact O-N 2.97Å; C153-S157 VanDerWaalsContact O-CB 3.22Å; C153-S157 WeakPolarHBondContact O-CB 3.19Å; C153-S157 PolarHBondContact O-N 3.25Å; C153-S157 PolarHBondContact O-OG 3.4Å |
| 154 | T | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -66.9 | -179.7 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | Y148 Y150 G151 I152 A156 S157 A158 S288 G300 T302 | Y148-T154 WeakPolarHBondContact CB-OG1 3.32Å; Y148-T154 HydrophobicContact CD2-CG2 3.72Å; Y148-T154 HydrophobicContact CE2-CG2 4.14Å; Y148-T154 HydrophobicContact CG-CG2 4.02Å; Y150-T154 PolarHBondContact O-N 2.84Å; Y150-T154 PolarHBondContact O-OG1 2.88Å; G151-T154 WeakPolarHBondContact O-CB 3.27Å; G151-T154 PolarHBondContact O-N 3Å; G151-T154 PolarHBondContact O-OG1 3.35Å; I152-T154 PolarHBondContact O-N 3.02Å; T154-A156 PolarHBondContact O-N 3.43Å; T154-S157 PolarHBondContact O-N 2.92Å; T154-S157 PolarHBondContact O-OG 2.97Å; T154-A158 WeakPolarHBondContact O-CB 3.26Å; T154-A158 PolarHBondContact O-N 3.34Å; T154-S288 WeakPolarHBondContact CG2-OG 3.36Å; T154-G300 WeakPolarHBondContact OG1-CA 3.35Å; T154-T302 HydrophobicContact CG2-CG2 4.01Å |
| 155 | V | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.4 | -36.6 | -178.7 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | S157 A158 I159 A178 I179 D258 | V155-S157 PolarHBondContact O-N 3.04Å; V155-A158 PolarHBondContact O-N 3.23Å; V155-I159 HydrophobicContact CG2-CD1 3.8Å; V155-I159 HydrophobicContact CG2-CG1 4.02Å; V155-I159 WeakPolarHBondContact O-CG1 3.24Å; V155-I159 PolarHBondContact O-N 3.4Å; V155-A178 HydrophobicContact CG1-CB 3.52Å; V155-I179 HydrophobicContact CG1-CG1 4.07Å; V155-I179 HydrophobicContact CG2-CG1 3.86Å; V155-D258 VanDerWaalsContact CB-OD2 3.3Å; V155-D258 WeakPolarHBondContact CB-OD2 3.46Å; V155-D258 WeakPolarHBondContact CG1-OD2 3.15Å; V155-D258 WeakPolarHBondContact CG2-OD2 3.38Å |
| 156 | A | 96.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -24.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I152 T154 P160 A178 K181 G182 | I152-A156 WeakPolarHBondContact O-CB 3.29Å; I152-A156 PolarHBondContact O-N 3.31Å; T154-A156 PolarHBondContact O-N 3.43Å; A156-P160 WeakPolarHBondContact O-CD 3.44Å; A156-P160 WeakPolarHBondContact O-CG 3.22Å; A156-A178 WeakPolarHBondContact CB-O 3.32Å; A156-K181 HydrophobicContact CB-CB 4.29Å; A156-G182 WeakPolarHBondContact O-CA 3.47Å |
| 157 | S | 95.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -101.8 | -25 | 174 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | Y148 C153 T154 V155 P160 A161 G318 | Y148-S157 WeakPolarHBondContact CE1-OG 3.21Å; C153-S157 VanDerWaalsContact O-CB 3.22Å; C153-S157 WeakPolarHBondContact O-CB 3.19Å; C153-S157 PolarHBondContact O-N 3.25Å; C153-S157 PolarHBondContact O-OG 3.4Å; T154-S157 PolarHBondContact O-N 2.92Å; T154-S157 PolarHBondContact O-OG 2.97Å; V155-S157 PolarHBondContact O-N 3.04Å; S157-P160 WeakPolarHBondContact O-CD 3.33Å; S157-P160 WeakPolarHBondContact O-CG 3.46Å; S157-A161 PolarHBondContact O-N 3.42Å; S157-G318 PolarHBondContact OG-N 3.34Å |
| 158 | A | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T154 V155 A161 Y162 M286 T302 | T154-A158 WeakPolarHBondContact O-CB 3.26Å; T154-A158 PolarHBondContact O-N 3.34Å; V155-A158 PolarHBondContact O-N 3.23Å; A158-A161 VanDerWaalsContact O-CB 3.28Å; A158-A161 WeakPolarHBondContact O-CB 3.43Å; A158-A161 PolarHBondContact O-N 3.15Å; A158-A161 VanDerWaalsContact O-N 3.16Å; A158-Y162 VanDerWaalsContact O-CD2 3.26Å; A158-Y162 WeakPolarHBondContact O-CD2 3.16Å; A158-M286 HydrophobicContact CB-CE 4.18Å; A158-M286 HydrophobicContact CB-SD 3.91Å; A158-T302 HydrophobicContact CB-CG2 3.9Å |
| 159 | I | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.4 | -56.9 | 177.4 | -68 | 173.5 | 0 | 0 | 0 | 111.9 | V155 A161 Y162 C163 I169 I179 L183 I227 | V155-I159 HydrophobicContact CG2-CD1 3.8Å; V155-I159 HydrophobicContact CG2-CG1 4.02Å; V155-I159 WeakPolarHBondContact O-CG1 3.24Å; V155-I159 PolarHBondContact O-N 3.4Å; I159-A161 PolarHBondContact O-N 3.41Å; I159-Y162 PolarHBondContact O-N 3.34Å; I159-C163 HydrophobicContact CG2-CB 4.31Å; I159-C163 WeakPolarHBondContact O-CB 3.24Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.36Å; I159-I169 HydrophobicContact CG2-CD1 4.24Å; I159-I179 HydrophobicContact CD1-CB 4.38Å; I159-I179 HydrophobicContact CD1-CG1 4.48Å; I159-I179 HydrophobicContact CD1-CG2 3.91Å; I159-L183 HydrophobicContact CG2-CD2 4.47Å; I159-I227 HydrophobicContact CD1-CD1 3.92Å; I159-I227 HydrophobicContact CD1-CG2 4.25Å; I159-I227 HydrophobicContact CG1-CD1 3.98Å; I159-I227 HydrophobicContact CG2-CD1 3.99Å |
| 160 | P | 96.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.6 | -12.8 | -179.7 | 28.7 | -37.4 | 0 | 0 | 0 | 113.4 | A156 S157 Y162 K164 A185 | A156-P160 WeakPolarHBondContact O-CD 3.44Å; A156-P160 WeakPolarHBondContact O-CG 3.22Å; S157-P160 WeakPolarHBondContact O-CD 3.33Å; S157-P160 WeakPolarHBondContact O-CG 3.46Å; P160-Y162 VanDerWaalsContact C-N 3.29Å; P160-K164 WeakPolarHBondContact O-CD 3.37Å; P160-K164 WeakPolarHBondContact O-CE 3.42Å; P160-K164 PolarHBondContact O-NZ 3.29Å; P160-A185 HydrophobicContact CB-CB 4Å; P160-A185 HydrophobicContact CG-CB 3.88Å |
| 161 | A | 94.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S157 A158 I159 K164 H311 Q312 A316 | S157-A161 PolarHBondContact O-N 3.42Å; A158-A161 VanDerWaalsContact O-CB 3.28Å; A158-A161 WeakPolarHBondContact O-CB 3.43Å; A158-A161 PolarHBondContact O-N 3.15Å; A158-A161 VanDerWaalsContact O-N 3.16Å; I159-A161 PolarHBondContact O-N 3.41Å; A161-K164 VanDerWaalsContact O-CE 3.26Å; A161-K164 WeakPolarHBondContact O-CE 3.46Å; A161-K164 PolarHBondContact O-NZ 3.48Å; A161-H311 PolarHBondContact O-NE2 2.88Å; A161-Q312 HydrophobicContact CB-CG 4.42Å; A161-A316 HydrophobicContact CB-CB 4.09Å |
| 162 | Y | 94.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 9% | 0.09 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -99.4 | -46.4 | 178.9 | -57.7 | -76.6 | 0 | 0 | 0 | 113.8 | A158 I159 P160 R223 F256 M286 V308 H311 Q312 | A158-Y162 VanDerWaalsContact O-CD2 3.26Å; A158-Y162 WeakPolarHBondContact O-CD2 3.16Å; I159-Y162 PolarHBondContact O-N 3.34Å; P160-Y162 VanDerWaalsContact C-N 3.29Å; Y162-R223 PolarHBondContact O-NH1 2.92Å; Y162-R223 PolarHBondContact O-NH2 2.48Å; Y162-F256 AromaticContact CD2-CE2 3.77Å; Y162-F256 HydrophobicContact CD2-CE2 3.77Å; Y162-F256 AromaticContact CD2-CZ 3.56Å; Y162-F256 HydrophobicContact CD2-CZ 3.56Å; Y162-F256 HydrophobicContact CE2-CZ 4.31Å; Y162-F256 HydrophobicContact CG-CE2 4.2Å; Y162-F256 AromaticContact CG-CZ 3.72Å; Y162-F256 HydrophobicContact CG-CZ 3.72Å; Y162-M286 HydrophobicContact CD2-SD 3.83Å; Y162-M286 HydrophobicContact CE2-CG 4.24Å; Y162-M286 HydrophobicContact CE2-SD 3.43Å; Y162-M286 WeakPolarHBondContact CE2-SD 3.48Å; Y162-V308 HydrophobicContact CE1-CG1 4.1Å; Y162-V308 WeakPolarHBondContact OH-CG1 3.39Å; Y162-V308 PolarHBondContact OH-O 3.02Å; Y162-H311 AromaticContact CD1-CD2 3.66Å; Y162-H311 HydrophobicContact CE1-CB 4.22Å; Y162-H311 AromaticContact CE1-CD2 3.54Å; Y162-Q312 HydrophobicContact CE2-CG 3.68Å; Y162-Q312 VanDerWaalsContact CE2-NE2 3.3Å; Y162-Q312 WeakPolarHBondContact OH-CG 3.28Å; Y162-Q312 PolarHBondContact OH-NE2 2.86Å; Y162-Q312 PolarHBondContact OH-OE1 2.93Å |
| 163 | C | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -84.7 | 119.3 | -174 | -50.2 | 0 | 0 | 0 | 0 | 109 | I159 I169 S186 F225 | I159-C163 HydrophobicContact CG2-CB 4.31Å; I159-C163 WeakPolarHBondContact O-CB 3.24Å; I159-C163 PolarHBondContact O-N 2.96Å; I159-C163 PolarHBondContact O-SG 3.36Å; C163-I169 HydrophobicContact CB-CD1 3.57Å; C163-I169 HydrophobicContact CB-CG1 4.16Å; C163-S186 WeakPolarHBondContact O-CB 3.47Å; C163-F225 HydrophobicContact CB-CD2 4.45Å; C163-F225 HydrophobicContact CB-CE2 4.32Å | ||
| 164 | K | 94.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 25.6 Ų | 25.6 | 39% | 0.387 | 12% | 0.123 | S | C | . | . | trans | -124.2 | 168.1 | -176.7 | -55.9 | -63.8 | -175.5 | -177.2 | 0 | 110.3 | P160 A161 G166 D167 S186 S188 | P160-K164 WeakPolarHBondContact O-CD 3.37Å; P160-K164 WeakPolarHBondContact O-CE 3.42Å; P160-K164 PolarHBondContact O-NZ 3.29Å; A161-K164 VanDerWaalsContact O-CE 3.26Å; A161-K164 WeakPolarHBondContact O-CE 3.46Å; A161-K164 PolarHBondContact O-NZ 3.48Å; K164-G166 PolarHBondContact O-N 3.44Å; K164-G166 VanDerWaalsContact O-N 3.14Å; K164-D167 PolarHBondContact N-OD2 3.26Å; K164-D167 WeakPolarHBondContact O-CB 3.47Å; K164-D167 PolarHBondContact O-N 2.84Å; K164-S186 CarbonylContact C-O 3.41Å; K164-S188 PolarHBondContact O-OG 3.08Å | ||
| 165 | R | 96 | Very high | 97 | Very high | 196 Ų | 196 | 25.6 Ų | 25.6 | 74% | 0.74 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48 | 123.2 | 168.8 | -179.8 | -178.7 | -72.5 | -107.1 | -1.2 | 110.4 | S186 R187 | R165-S186 PolarHBondContact N-O 2.94Å; R165-R187 WeakPolarHBondContact CA-O 3.48Å |
| 166 | G | 95.6 | Very high | 97 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 47% | 0.474 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.2 | -20.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | K164 | K164-G166 PolarHBondContact O-N 3.44Å; K164-G166 VanDerWaalsContact O-N 3.14Å |
| 167 | D | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | trans | -81.2 | 167.5 | 174.4 | -60.3 | -42.2 | 0 | 0 | 0 | 112.2 | K164 R189 R223 F225 | K164-D167 PolarHBondContact N-OD2 3.26Å; K164-D167 WeakPolarHBondContact O-CB 3.47Å; K164-D167 PolarHBondContact O-N 2.84Å; D167-R189 PolarHBondContact O-N 2.65Å; D167-R223 WeakPolarHBondContact CA-O 3.18Å; D167-R223 HydrophobicContact CB-CB 4.49Å; D167-R223 WeakPolarHBondContact CB-O 3.38Å; D167-R223 VanDerWaalsContact OD1-CB 3.23Å; D167-R223 WeakPolarHBondContact OD1-CB 3.36Å; D167-R223 IonicContact OD1-CZ 3.06Å; D167-R223 PolarHBondContact OD1-N 2.77Å; D167-R223 IonicContact OD1-NE 2.7Å; D167-R223 PolarHBondContact OD1-NE 3.13Å; D167-R223 VanDerWaalsContact OD1-NE 3.08Å; D167-R223 IonicContact OD1-NH2 3.18Å; D167-R223 IonicContact OD2-CZ 3.26Å; D167-R223 VanDerWaalsContact OD2-CZ 3.26Å; D167-R223 IonicContact OD2-NE 3.45Å; D167-R223 PolarHBondContact OD2-NE 3.19Å; D167-R223 IonicContact OD2-NH2 2.7Å; D167-R223 PolarHBondContact OD2-NH2 2.89Å; D167-F225 HydrophobicContact CB-CD2 4.44Å; D167-F225 HydrophobicContact CB-CE2 4.01Å | ||
| 168 | V | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.6 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | F170 R189 E191 T222 R223 R224 F225 | V168-F170 HydrophobicContact CB-CE2 4.43Å; V168-F170 HydrophobicContact CG1-CD2 4.45Å; V168-F170 HydrophobicContact CG1-CE1 4.44Å; V168-F170 HydrophobicContact CG1-CE2 3.82Å; V168-F170 HydrophobicContact CG1-CZ 3.81Å; V168-R189 WeakPolarHBondContact CA-O 3.17Å; V168-E191 HydrophobicContact CG1-CG 3.99Å; V168-T222 HydrophobicContact CG2-CG2 3.72Å; V168-R223 PolarHBondContact N-O 3.12Å; V168-R224 HydrophobicContact CB-CG 4.46Å; V168-R224 WeakPolarHBondContact O-CA 3.08Å; V168-F225 PolarHBondContact O-N 3.35Å |
| 169 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.7 | 174.6 | -52.1 | -179.1 | 0 | 0 | 0 | 108.1 | I159 C163 C171 L183 R189 I190 E191 F225 I227 | I159-I169 HydrophobicContact CG2-CD1 4.24Å; C163-I169 HydrophobicContact CB-CD1 3.57Å; C163-I169 HydrophobicContact CB-CG1 4.16Å; I169-C171 HydrophobicContact CG2-CB 4.33Å; I169-L183 HydrophobicContact CB-CD2 4.45Å; I169-L183 HydrophobicContact CD1-CD2 3.84Å; I169-L183 HydrophobicContact CG2-CD2 3.78Å; I169-R189 PolarHBondContact N-O 2.73Å; I169-I190 HydrophobicContact CB-CD1 3.84Å; I169-I190 HydrophobicContact CD1-CD1 3.7Å; I169-I190 HydrophobicContact CG1-CD1 4.01Å; I169-I190 CarbonylContact O-C 3.59Å; I169-I190 WeakPolarHBondContact O-CA 3.21Å; I169-E191 PolarHBondContact O-N 3.09Å; I169-F225 HydrophobicContact CG1-CB 4.47Å; I169-F225 HydrophobicContact CG1-CD2 4.49Å; I169-F225 HydrophobicContact CG2-CB 4.45Å; I169-I227 HydrophobicContact CD1-CD1 4.31Å; I169-I227 HydrophobicContact CG2-CB 4.43Å; I169-I227 HydrophobicContact CG2-CD1 3.53Å; I169-I227 HydrophobicContact CG2-CG1 3.68Å |
| 170 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.7 | 165 | -58.1 | -87 | 0 | 0 | 0 | 107.7 | V168 E191 F193 L201 L204 L205 Q208 R224 F225 V226 I227 | V168-F170 HydrophobicContact CB-CE2 4.43Å; V168-F170 HydrophobicContact CG1-CD2 4.45Å; V168-F170 HydrophobicContact CG1-CE1 4.44Å; V168-F170 HydrophobicContact CG1-CE2 3.82Å; V168-F170 HydrophobicContact CG1-CZ 3.81Å; F170-E191 VanDerWaalsContact CA-O 3.24Å; F170-E191 WeakPolarHBondContact CA-O 3.25Å; F170-E191 HydrophobicContact CD1-CB 3.76Å; F170-E191 HydrophobicContact CD1-CG 4.47Å; F170-E191 HydrophobicContact CE1-CB 3.91Å; F170-E191 HydrophobicContact CE1-CG 4.16Å; F170-F193 HydrophobicContact CB-CD1 4.42Å; F170-L201 HydrophobicContact CB-CD1 3.61Å; F170-L201 HydrophobicContact CD1-CD1 4.22Å; F170-L201 HydrophobicContact CG-CD1 4.02Å; F170-L204 HydrophobicContact CD1-CB 3.87Å; F170-L204 HydrophobicContact CD1-CD1 4.42Å; F170-L204 HydrophobicContact CE1-CB 3.77Å; F170-L205 HydrophobicContact CD1-CD2 4.48Å; F170-L205 HydrophobicContact CD2-CD2 3.78Å; F170-L205 HydrophobicContact CE1-CD2 4.3Å; F170-L205 HydrophobicContact CE2-CD2 3.58Å; F170-L205 HydrophobicContact CG-CD2 4.24Å; F170-L205 HydrophobicContact CZ-CD2 3.86Å; F170-Q208 HydrophobicContact CE1-CB 4.41Å; F170-Q208 HydrophobicContact CE2-CG 4.48Å; F170-Q208 HydrophobicContact CZ-CB 3.66Å; F170-Q208 HydrophobicContact CZ-CG 3.9Å; F170-R224 HydrophobicContact CE2-CB 4.49Å; F170-F225 WeakPolarHBondContact CD2-O 3.37Å; F170-F225 PolarHBondContact N-O 3.07Å; F170-V226 HydrophobicContact CB-CG2 4.15Å; F170-V226 CarbonylContact O-C 3.17Å; F170-V226 VanDerWaalsContact O-CA 3.23Å; F170-V226 WeakPolarHBondContact O-CA 3.19Å; F170-I227 PolarHBondContact O-N 2.74Å |
| 171 | C | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.2 | -174.5 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | I169 L183 I190 E191 F192 F193 I227 | I169-C171 HydrophobicContact CG2-CB 4.33Å; C171-L183 HydrophobicContact CB-CD1 4.07Å; C171-L183 HydrophobicContact CB-CD2 4.48Å; C171-I190 HydrophobicContact CB-CG2 4.34Å; C171-E191 PolarHBondContact N-O 3.2Å; C171-E191 VanDerWaalsContact N-O 3.08Å; C171-F192 HydrophobicContact CB-CD1 4Å; C171-F192 HydrophobicContact CB-CE1 3.77Å; C171-F192 VanDerWaalsContact O-CA 3.29Å; C171-F192 WeakPolarHBondContact O-CA 3.5Å; C171-F192 VanDerWaalsContact O-CD1 3.31Å; C171-F192 WeakPolarHBondContact O-CD1 3.5Å; C171-F193 VanDerWaalsContact C-CD1 3.5Å; C171-F193 VanDerWaalsContact O-CD1 3.29Å; C171-F193 WeakPolarHBondContact O-CD1 3.31Å; C171-F193 PolarHBondContact O-N 3.17Å; C171-F193 VanDerWaalsContact O-N 3.14Å; C171-I227 PolarHBondContact SG-O 3.42Å |
| 172 | D | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138.4 | 173.7 | -168.1 | -67.2 | 0 | 0 | 0 | 109.3 | G174 V175 F193 H195 N196 I227 V228 Y232 | D172-G174 PolarHBondContact O-N 3.41Å; D172-G174 WeakPolarHBondContact OD1-CA 3.48Å; D172-G174 PolarHBondContact OD1-N 3.02Å; D172-V175 HydrophobicContact CB-CG1 4.1Å; D172-V175 WeakPolarHBondContact O-CG1 3.33Å; D172-V175 WeakPolarHBondContact O-CG2 3.15Å; D172-V175 PolarHBondContact O-N 2.98Å; D172-F193 HydrophobicContact CB-CE1 4.21Å; D172-F193 HydrophobicContact CB-CE2 3.78Å; D172-F193 HydrophobicContact CB-CZ 3.55Å; D172-F193 VanDerWaalsContact OD2-CE2 3.28Å; D172-F193 WeakPolarHBondContact OD2-CE2 3.33Å; D172-H195 VanDerWaalsContact OD1-CA 3.31Å; D172-H195 WeakPolarHBondContact OD1-CA 3.33Å; D172-H195 IonicContact OD1-CE1 3.17Å; D172-H195 IonicContact OD1-CG 2.66Å; D172-H195 IonicContact OD1-ND1 3.63Å; D172-H195 PolarHBondContact OD1-ND1 3.25Å; D172-H195 IonicContact OD2-ND1 2.68Å; D172-N196 PolarHBondContact OD2-N 3.05Å; D172-I227 PolarHBondContact N-O 3.19Å; D172-V228 HydrophobicContact CB-CG1 4.33Å; D172-Y232 HydrophobicContact CB-CE1 3.84Å; D172-Y232 WeakPolarHBondContact CB-OH 3.24Å; D172-Y232 VanDerWaalsContact CG-CZ 3.48Å; D172-Y232 PolarHBondContact OD2-OH 2.92Å |
| 173 | R | 98.3 | Very high | 97.6 | Very high | 118 Ų | 118 | 27 Ų | 27 | 45% | 0.445 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.1 | 177.6 | -77.8 | -179.8 | -176.2 | -164.2 | 0.2 | 113.7 | V175 F192 F193 F418 | R173-V175 VanDerWaalsContact C-N 3.29Å; R173-V175 PolarHBondContact O-N 3.24Å; R173-F192 HydrophobicContact CG-CB 3.71Å; R173-F192 HydrophobicContact CG-CD1 4.15Å; R173-F192 HydrophobicContact CG-CG 4.22Å; R173-F193 VanDerWaalsContact CG-O 3.3Å; R173-F193 WeakPolarHBondContact CG-O 3.46Å; R173-F193 PolarHBondContact N-O 3.33Å; R173-F418 HydrophobicContact CB-CD2 4.25Å; R173-F418 HydrophobicContact CB-CE2 4.19Å; R173-F418 HydrophobicContact CB-CZ 4.43Å; R173-F418 HydrophobicContact CG-CD1 4.43Å; R173-F418 HydrophobicContact CG-CD2 4.42Å; R173-F418 HydrophobicContact CG-CE1 3.99Å; R173-F418 HydrophobicContact CG-CE2 3.97Å; R173-F418 HydrophobicContact CG-CZ 3.75Å; R173-F418 VanDerWaalsContact O-CD2 3.27Å; R173-F418 WeakPolarHBondContact O-CD2 3.37Å |
| 174 | G | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D172 Y235 | D172-G174 PolarHBondContact O-N 3.41Å; D172-G174 WeakPolarHBondContact OD1-CA 3.48Å; D172-G174 PolarHBondContact OD1-N 3.02Å; G174-Y235 VanDerWaalsContact CA-CE2 3.47Å |
| 175 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -65.2 | 144.8 | -178.1 | -63.6 | 0 | 0 | 0 | 0 | 113.6 | D172 R173 I179 Q180 E229 Y232 | D172-V175 HydrophobicContact CB-CG1 4.1Å; D172-V175 WeakPolarHBondContact O-CG1 3.33Å; D172-V175 WeakPolarHBondContact O-CG2 3.15Å; D172-V175 PolarHBondContact O-N 2.98Å; R173-V175 VanDerWaalsContact C-N 3.29Å; R173-V175 PolarHBondContact O-N 3.24Å; V175-I179 HydrophobicContact CB-CB 3.97Å; V175-I179 HydrophobicContact CB-CD1 3.86Å; V175-I179 HydrophobicContact CB-CG2 3.81Å; V175-I179 HydrophobicContact CG1-CD1 3.95Å; V175-I179 HydrophobicContact CG1-CG2 4.13Å; V175-I179 HydrophobicContact CG2-CB 4.13Å; V175-I179 HydrophobicContact CG2-CG2 3.7Å; V175-Q180 HydrophobicContact CG2-CG 4.14Å; V175-Q180 PolarHBondContact O-NE2 3.15Å; V175-E229 WeakPolarHBondContact CA-OE1 3.46Å; V175-Y232 HydrophobicContact CG1-CE1 4.21Å | ||
| 176 | H | 96.7 | Very high | 97.7 | Very high | 15 Ų | 15 | 20.6 Ų | 20.6 | 7% | 0.069 | 11% | 0.114 | C | C | . | . | trans | -75 | 160.9 | -176.2 | 67.8 | 49.1 | 0 | 0 | 0 | 113 | A178 I179 Q180 E229 L233 Y234 D258 | H176-A178 VanDerWaalsContact CE1-CB 3.47Å; H176-A178 WeakPolarHBondContact CE1-CB 3.29Å; H176-A178 WeakPolarHBondContact ND1-CB 3.41Å; H176-A178 PolarHBondContact ND1-N 3.02Å; H176-A178 PolarHBondContact O-N 3.36Å; H176-I179 WeakPolarHBondContact O-CB 3.47Å; H176-I179 PolarHBondContact O-N 3.03Å; H176-Q180 PolarHBondContact O-N 3.46Å; H176-E229 WeakPolarHBondContact CB-OE1 3.48Å; H176-E229 IonicContact CD2-OE1 3.45Å; H176-E229 PolarHBondContact CD2-OE1 3.35Å; H176-E229 VanDerWaalsContact CD2-OE1 3.25Å; H176-E229 IonicContact CD2-OE2 3.07Å; H176-E229 PolarHBondContact CD2-OE2 3.27Å; H176-E229 VanDerWaalsContact CD2-OE2 3.23Å; H176-E229 IonicContact CG-OE1 2.89Å; H176-E229 PolarHBondContact N-OE1 3.2Å; H176-L233 HydrophobicContact CB-CB 4.08Å; H176-L233 HydrophobicContact CB-CD2 3.89Å; H176-Y234 VanDerWaalsContact CA-CE2 3.45Å; H176-Y234 HydrophobicContact CB-CE1 4.37Å; H176-Y234 HydrophobicContact CB-CE2 4.07Å; H176-D258 IonicContact CE1-OD2 2.6Å; H176-D258 IonicContact NE2-OD2 3.69Å; H176-D258 PolarHBondContact NE2-OD2 2.88Å | ||
| 177 | F | 96.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 27 Ų | 27 | 16% | 0.158 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -45 | -42.8 | -175.2 | -172.1 | -109.7 | 0 | 0 | 0 | 114.8 | I152 I179 Q180 K181 Y234 L412 Q415 E416 | I152-F177 HydrophobicContact CD1-CD1 4Å; I152-F177 HydrophobicContact CD1-CE1 4.34Å; F177-I179 PolarHBondContact O-N 3.4Å; F177-Q180 WeakPolarHBondContact O-CB 3.3Å; F177-Q180 PolarHBondContact O-N 2.69Å; F177-Q180 VanDerWaalsContact O-N 3.17Å; F177-K181 HydrophobicContact CD1-CG 4.33Å; F177-K181 HydrophobicContact CE1-CD 4.49Å; F177-K181 HydrophobicContact CE1-CG 4.12Å; F177-K181 HydrophobicContact CE2-CD 4.46Å; F177-K181 HydrophobicContact CZ-CD 4.26Å; F177-K181 HydrophobicContact CZ-CG 4.38Å; F177-K181 WeakPolarHBondContact O-CG 3.41Å; F177-K181 PolarHBondContact O-N 3.34Å; F177-Y234 PolarHBondContact N-OH 3.35Å; F177-L412 HydrophobicContact CE1-CD1 4.26Å; F177-L412 HydrophobicContact CE2-CB 4.3Å; F177-L412 HydrophobicContact CE2-CD1 4.2Å; F177-L412 HydrophobicContact CZ-CD1 3.68Å; F177-Q415 HydrophobicContact CE2-CB 3.87Å; F177-Q415 HydrophobicContact CZ-CB 4.4Å; F177-E416 WeakPolarHBondContact CD2-OE1 2.95Å |
| 178 | A | 96.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | I152 V155 A156 H176 K181 G182 | I152-A178 HydrophobicContact CB-CB 4.24Å; I152-A178 HydrophobicContact CD1-CB 4.47Å; I152-A178 HydrophobicContact CG1-CB 3.39Å; V155-A178 HydrophobicContact CG1-CB 3.52Å; A156-A178 WeakPolarHBondContact CB-O 3.32Å; H176-A178 VanDerWaalsContact CE1-CB 3.47Å; H176-A178 WeakPolarHBondContact CE1-CB 3.29Å; H176-A178 WeakPolarHBondContact ND1-CB 3.41Å; H176-A178 PolarHBondContact ND1-N 3.02Å; H176-A178 PolarHBondContact O-N 3.36Å; A178-K181 PolarHBondContact O-N 3.48Å; A178-G182 PolarHBondContact O-N 2.77Å |
| 179 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 175.7 | -69.6 | 167.9 | 0 | 0 | 0 | 108.6 | V155 I159 V175 H176 F177 K181 G182 L183 I227 E229 D258 | V155-I179 HydrophobicContact CG1-CG1 4.07Å; V155-I179 HydrophobicContact CG2-CG1 3.86Å; I159-I179 HydrophobicContact CD1-CB 4.38Å; I159-I179 HydrophobicContact CD1-CG1 4.48Å; I159-I179 HydrophobicContact CD1-CG2 3.91Å; V175-I179 HydrophobicContact CB-CB 3.97Å; V175-I179 HydrophobicContact CB-CD1 3.86Å; V175-I179 HydrophobicContact CB-CG2 3.81Å; V175-I179 HydrophobicContact CG1-CD1 3.95Å; V175-I179 HydrophobicContact CG1-CG2 4.13Å; V175-I179 HydrophobicContact CG2-CB 4.13Å; V175-I179 HydrophobicContact CG2-CG2 3.7Å; H176-I179 WeakPolarHBondContact O-CB 3.47Å; H176-I179 PolarHBondContact O-N 3.03Å; F177-I179 PolarHBondContact O-N 3.4Å; I179-K181 VanDerWaalsContact C-N 3.26Å; I179-K181 PolarHBondContact O-N 3.17Å; I179-G182 CarbonylContact O-C 3.49Å; I179-G182 WeakPolarHBondContact O-CA 3.34Å; I179-G182 PolarHBondContact O-N 3.32Å; I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 WeakPolarHBondContact O-CG 2.84Å; I179-L183 PolarHBondContact O-N 3.23Å; I179-I227 HydrophobicContact CG2-CG2 3.89Å; I179-E229 HydrophobicContact CD1-CG 3.68Å; I179-D258 HydrophobicContact CD1-CB 3.92Å |
| 180 | Q | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -39.6 | 178.5 | -58.4 | 178 | 31.1 | 0 | 0 | 112.3 | V175 H176 F177 L183 Q184 E416 | V175-Q180 HydrophobicContact CG2-CG 4.14Å; V175-Q180 PolarHBondContact O-NE2 3.15Å; H176-Q180 PolarHBondContact O-N 3.46Å; F177-Q180 WeakPolarHBondContact O-CB 3.3Å; F177-Q180 PolarHBondContact O-N 2.69Å; F177-Q180 VanDerWaalsContact O-N 3.17Å; Q180-L183 WeakPolarHBondContact O-CB 3.19Å; Q180-L183 PolarHBondContact O-N 3.13Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 3.26Å; Q180-E416 VanDerWaalsContact CD-OE2 3.28Å; Q180-E416 PolarHBondContact NE2-OE2 3.19Å; Q180-E416 PolarHBondContact OE1-OE2 3.43Å; Q180-E416 VanDerWaalsContact OE1-OE2 3.13Å |
| 181 | K | 96.7 | Very high | 97.8 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 173.2 | -62.1 | -44.7 | -177.6 | -172.3 | 0 | 112.8 | A156 F177 A178 I179 L183 Q184 A185 | A156-K181 HydrophobicContact CB-CB 4.29Å; F177-K181 HydrophobicContact CD1-CG 4.33Å; F177-K181 HydrophobicContact CE1-CD 4.49Å; F177-K181 HydrophobicContact CE1-CG 4.12Å; F177-K181 HydrophobicContact CE2-CD 4.46Å; F177-K181 HydrophobicContact CZ-CD 4.26Å; F177-K181 HydrophobicContact CZ-CG 4.38Å; F177-K181 WeakPolarHBondContact O-CG 3.41Å; F177-K181 PolarHBondContact O-N 3.34Å; A178-K181 PolarHBondContact O-N 3.48Å; I179-K181 VanDerWaalsContact C-N 3.26Å; I179-K181 PolarHBondContact O-N 3.17Å; K181-L183 VanDerWaalsContact C-N 3.35Å; K181-Q184 PolarHBondContact O-N 2.94Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 3.49Å |
| 182 | G | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A156 A178 I179 A185 S186 | A156-G182 WeakPolarHBondContact O-CA 3.47Å; A178-G182 PolarHBondContact O-N 2.77Å; I179-G182 CarbonylContact O-C 3.49Å; I179-G182 WeakPolarHBondContact O-CA 3.34Å; I179-G182 PolarHBondContact O-N 3.32Å; G182-A185 PolarHBondContact O-N 2.61Å; G182-S186 WeakPolarHBondContact O-CB 3.46Å; G182-S186 PolarHBondContact O-N 3Å |
| 183 | L | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 175.3 | -59.2 | 177.3 | 0 | 0 | 0 | 110.9 | I159 I169 C171 I179 Q180 K181 A185 S186 I190 F192 I227 W417 | I159-L183 HydrophobicContact CG2-CD2 4.47Å; I169-L183 HydrophobicContact CB-CD2 4.45Å; I169-L183 HydrophobicContact CD1-CD2 3.84Å; I169-L183 HydrophobicContact CG2-CD2 3.78Å; C171-L183 HydrophobicContact CB-CD1 4.07Å; C171-L183 HydrophobicContact CB-CD2 4.48Å; I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 WeakPolarHBondContact O-CG 2.84Å; I179-L183 PolarHBondContact O-N 3.23Å; Q180-L183 WeakPolarHBondContact O-CB 3.19Å; Q180-L183 PolarHBondContact O-N 3.13Å; K181-L183 VanDerWaalsContact C-N 3.35Å; L183-A185 PolarHBondContact O-N 2.77Å; L183-S186 WeakPolarHBondContact O-CB 3.42Å; L183-S186 PolarHBondContact O-N 3.03Å; L183-S186 PolarHBondContact O-OG 3.02Å; L183-I190 HydrophobicContact CB-CD1 4.15Å; L183-I190 HydrophobicContact CB-CG1 4.42Å; L183-I190 HydrophobicContact CD1-CG2 4.19Å; L183-I190 HydrophobicContact CD2-CD1 4.2Å; L183-F192 HydrophobicContact CD1-CE1 4.01Å; L183-F192 HydrophobicContact CD1-CZ 3.87Å; L183-I227 HydrophobicContact CD2-CD1 4Å; L183-W417 HydrophobicContact CB-CH2 4.24Å |
| 184 | Q | 96.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 43% | 0.425 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -56.1 | -50.1 | 174.6 | -76.2 | 179 | -23.7 | 0 | 0 | 111.7 | Q180 K181 S186 R187 W417 | Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 3.26Å; K181-Q184 PolarHBondContact O-N 2.94Å; Q184-S186 PolarHBondContact O-N 3.17Å; Q184-R187 PolarHBondContact O-N 3.24Å; Q184-W417 HydrophobicContact CG-CH2 4.47Å; Q184-W417 HydrophobicContact CG-CZ2 3.4Å; Q184-W417 VanDerWaalsContact CG-CZ2 3.4Å |
| 185 | A | 96.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 35.2 Ų | 35.2 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.5 | -30 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P160 K181 G182 L183 R187 | P160-A185 HydrophobicContact CB-CB 4Å; P160-A185 HydrophobicContact CG-CB 3.88Å; K181-A185 WeakPolarHBondContact O-CB 3.48Å; K181-A185 PolarHBondContact O-N 3.49Å; G182-A185 PolarHBondContact O-N 2.61Å; L183-A185 PolarHBondContact O-N 2.77Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 2.69Å |
| 186 | S | 97.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -29.7 | -178.2 | 81.8 | 0 | 0 | 0 | 0 | 113.6 | C163 K164 R165 G182 L183 Q184 S188 | C163-S186 WeakPolarHBondContact O-CB 3.47Å; K164-S186 CarbonylContact C-O 3.41Å; R165-S186 PolarHBondContact N-O 2.94Å; G182-S186 WeakPolarHBondContact O-CB 3.46Å; G182-S186 PolarHBondContact O-N 3Å; L183-S186 WeakPolarHBondContact O-CB 3.42Å; L183-S186 PolarHBondContact O-N 3.03Å; L183-S186 PolarHBondContact O-OG 3.02Å; Q184-S186 PolarHBondContact O-N 3.17Å; S186-S188 WeakPolarHBondContact CB-OG 3.31Å; S186-S188 PolarHBondContact O-N 3.18Å; S186-S188 VanDerWaalsContact O-N 3.1Å; S186-S188 WeakPolarHBondContact OG-CB 3.16Å; S186-S188 PolarHBondContact OG-N 2.62Å; S186-S188 VanDerWaalsContact OG-N 3.09Å; S186-S188 PolarHBondContact OG-OG 3.47Å; S186-S188 VanDerWaalsContact OG-OG 3.04Å |
| 187 | R | 97.2 | Very high | 97.9 | Very high | 180 Ų | 180 | 39.8 Ų | 39.8 | 68% | 0.679 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 23.1 | -170.3 | -44.8 | -177.9 | -159.9 | -173.5 | 4.2 | 113.3 | R165 Q184 A185 | R165-R187 WeakPolarHBondContact CA-O 3.48Å; Q184-R187 PolarHBondContact O-N 3.24Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 2.69Å |
| 188 | S | 98.5 | Very high | 98 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 165.3 | 174.7 | -51 | 0 | 0 | 0 | 0 | 110.1 | K164 S186 | K164-S188 PolarHBondContact O-OG 3.08Å; S186-S188 WeakPolarHBondContact CB-OG 3.31Å; S186-S188 PolarHBondContact O-N 3.18Å; S186-S188 VanDerWaalsContact O-N 3.1Å; S186-S188 WeakPolarHBondContact OG-CB 3.16Å; S186-S188 PolarHBondContact OG-N 2.62Å; S186-S188 VanDerWaalsContact OG-N 3.09Å; S186-S188 PolarHBondContact OG-OG 3.47Å; S186-S188 VanDerWaalsContact OG-OG 3.04Å |
| 189 | R | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 42.2 Ų | 42.2 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.8 | 166.5 | 179.8 | 177.3 | 52.6 | 136.9 | -10.4 | 108.6 | D167 V168 I169 E191 | D167-R189 PolarHBondContact O-N 2.65Å; V168-R189 WeakPolarHBondContact CA-O 3.17Å; I169-R189 PolarHBondContact N-O 2.73Å; R189-E191 WeakPolarHBondContact CD-OE1 3.13Å; R189-E191 IonicContact CZ-OE1 2.85Å; R189-E191 IonicContact NE-OE1 3.62Å; R189-E191 IonicContact NH1-OE1 2.92Å; R189-E191 PolarHBondContact NH1-OE1 3.01Å |
| 190 | I | 98.7 | Very high | 98.1 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 131.5 | -179.3 | -41.1 | -56.6 | 0 | 0 | 0 | 109.4 | I169 C171 L183 F192 W417 | I169-I190 HydrophobicContact CB-CD1 3.84Å; I169-I190 HydrophobicContact CD1-CD1 3.7Å; I169-I190 HydrophobicContact CG1-CD1 4.01Å; I169-I190 CarbonylContact O-C 3.59Å; I169-I190 WeakPolarHBondContact O-CA 3.21Å; C171-I190 HydrophobicContact CB-CG2 4.34Å; L183-I190 HydrophobicContact CB-CD1 4.15Å; L183-I190 HydrophobicContact CB-CG1 4.42Å; L183-I190 HydrophobicContact CD1-CG2 4.19Å; L183-I190 HydrophobicContact CD2-CD1 4.2Å; I190-F192 HydrophobicContact CB-CE2 4.14Å; I190-F192 HydrophobicContact CB-CZ 4.48Å; I190-F192 HydrophobicContact CG2-CD2 4.06Å; I190-F192 HydrophobicContact CG2-CE1 4.1Å; I190-F192 HydrophobicContact CG2-CE2 3.45Å; I190-F192 VanDerWaalsContact CG2-CE2 3.45Å; I190-F192 HydrophobicContact CG2-CZ 3.44Å; I190-F192 VanDerWaalsContact CG2-CZ 3.44Å; I190-W417 HydrophobicContact CB-CZ3 4.19Å; I190-W417 HydrophobicContact CG1-CH2 4.01Å; I190-W417 HydrophobicContact CG1-CZ3 4.11Å; I190-W417 HydrophobicContact CG2-CZ3 4.14Å |
| 191 | E | 98.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.3 | 175.8 | -59.1 | -77.4 | -179.6 | 0 | 0 | 107.4 | V168 I169 F170 C171 R189 L204 | V168-E191 HydrophobicContact CG1-CG 3.99Å; I169-E191 PolarHBondContact O-N 3.09Å; F170-E191 VanDerWaalsContact CA-O 3.24Å; F170-E191 WeakPolarHBondContact CA-O 3.25Å; F170-E191 HydrophobicContact CD1-CB 3.76Å; F170-E191 HydrophobicContact CD1-CG 4.47Å; F170-E191 HydrophobicContact CE1-CB 3.91Å; F170-E191 HydrophobicContact CE1-CG 4.16Å; C171-E191 PolarHBondContact N-O 3.2Å; C171-E191 VanDerWaalsContact N-O 3.08Å; R189-E191 WeakPolarHBondContact CD-OE1 3.13Å; R189-E191 IonicContact CZ-OE1 2.85Å; R189-E191 IonicContact NE-OE1 3.62Å; R189-E191 IonicContact NH1-OE1 2.92Å; R189-E191 PolarHBondContact NH1-OE1 3.01Å; E191-L204 HydrophobicContact CB-CD1 4.38Å |
| 192 | F | 98.8 | Very high | 98.2 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.5 | -179 | -72 | -81.7 | 0 | 0 | 0 | 112.5 | C171 R173 L183 I190 L204 W417 F418 | C171-F192 HydrophobicContact CB-CD1 4Å; C171-F192 HydrophobicContact CB-CE1 3.77Å; C171-F192 VanDerWaalsContact O-CA 3.29Å; C171-F192 WeakPolarHBondContact O-CA 3.5Å; C171-F192 VanDerWaalsContact O-CD1 3.31Å; C171-F192 WeakPolarHBondContact O-CD1 3.5Å; R173-F192 HydrophobicContact CG-CB 3.71Å; R173-F192 HydrophobicContact CG-CD1 4.15Å; R173-F192 HydrophobicContact CG-CG 4.22Å; L183-F192 HydrophobicContact CD1-CE1 4.01Å; L183-F192 HydrophobicContact CD1-CZ 3.87Å; I190-F192 HydrophobicContact CB-CE2 4.14Å; I190-F192 HydrophobicContact CB-CZ 4.48Å; I190-F192 HydrophobicContact CG2-CD2 4.06Å; I190-F192 HydrophobicContact CG2-CE1 4.1Å; I190-F192 HydrophobicContact CG2-CE2 3.45Å; I190-F192 VanDerWaalsContact CG2-CE2 3.45Å; I190-F192 HydrophobicContact CG2-CZ 3.44Å; I190-F192 VanDerWaalsContact CG2-CZ 3.44Å; F192-L204 WeakPolarHBondContact O-CD1 3.39Å; F192-W417 HydrophobicContact CD2-CE3 4.42Å; F192-W417 HydrophobicContact CE1-CE3 4.27Å; F192-W417 HydrophobicContact CE2-CD2 4.48Å; F192-W417 AromaticContact CE2-CE3 3.15Å; F192-W417 HydrophobicContact CE2-CE3 3.15Å; F192-W417 AromaticContact CE2-CZ3 3.19Å; F192-W417 HydrophobicContact CE2-CZ3 3.19Å; F192-W417 HydrophobicContact CZ-CD2 4.23Å; F192-W417 AromaticContact CZ-CE3 3.05Å; F192-W417 HydrophobicContact CZ-CE3 3.05Å; F192-W417 HydrophobicContact CZ-CH2 4.44Å; F192-W417 AromaticContact CZ-CZ3 3.17Å; F192-W417 HydrophobicContact CZ-CZ3 3.17Å; F192-F418 HydrophobicContact CB-CZ 4.1Å; F192-F418 AromaticContact CD1-CE2 3.63Å; F192-F418 HydrophobicContact CD1-CE2 3.63Å; F192-F418 AromaticContact CD1-CZ 3.68Å; F192-F418 HydrophobicContact CD1-CZ 3.68Å; F192-F418 HydrophobicContact CD2-CE2 4.29Å; F192-F418 AromaticContact CD2-CZ 3.64Å; F192-F418 HydrophobicContact CD2-CZ 3.64Å; F192-F418 AromaticContact CE1-CE2 3.62Å; F192-F418 HydrophobicContact CE1-CE2 3.62Å; F192-F418 AromaticContact CE1-CZ 3.98Å; F192-F418 HydrophobicContact CE1-CZ 3.98Å; F192-F418 HydrophobicContact CE2-CE2 4.25Å; F192-F418 AromaticContact CE2-CZ 3.91Å; F192-F418 HydrophobicContact CE2-CZ 3.91Å; F192-F418 AromaticContact CG-CE2 3.99Å; F192-F418 HydrophobicContact CG-CE2 3.99Å; F192-F418 AromaticContact CG-CZ 3.51Å; F192-F418 HydrophobicContact CG-CZ 3.51Å; F192-F418 AromaticContact CZ-CE2 3.95Å; F192-F418 HydrophobicContact CZ-CE2 3.95Å; F192-F418 HydrophobicContact CZ-CZ 4.09Å |
| 193 | F | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 153.1 | 167.6 | 60.5 | -84.7 | 0 | 0 | 0 | 111 | F170 C171 D172 R173 D197 D200 L201 L204 V228 | F170-F193 HydrophobicContact CB-CD1 4.42Å; C171-F193 VanDerWaalsContact C-CD1 3.5Å; C171-F193 VanDerWaalsContact O-CD1 3.29Å; C171-F193 WeakPolarHBondContact O-CD1 3.31Å; C171-F193 PolarHBondContact O-N 3.17Å; C171-F193 VanDerWaalsContact O-N 3.14Å; D172-F193 HydrophobicContact CB-CE1 4.21Å; D172-F193 HydrophobicContact CB-CE2 3.78Å; D172-F193 HydrophobicContact CB-CZ 3.55Å; D172-F193 VanDerWaalsContact OD2-CE2 3.28Å; D172-F193 WeakPolarHBondContact OD2-CE2 3.33Å; R173-F193 VanDerWaalsContact CG-O 3.3Å; R173-F193 WeakPolarHBondContact CG-O 3.46Å; R173-F193 PolarHBondContact N-O 3.33Å; F193-D197 WeakPolarHBondContact CD2-O 3.47Å; F193-D200 VanDerWaalsContact CA-OD2 3.28Å; F193-D200 WeakPolarHBondContact CA-OD2 3.41Å; F193-D200 HydrophobicContact CB-CB 4.33Å; F193-L201 HydrophobicContact CB-CB 4.04Å; F193-L201 HydrophobicContact CD1-CB 4.11Å; F193-L201 HydrophobicContact CD1-CD1 3.7Å; F193-L201 HydrophobicContact CD1-CG 4.31Å; F193-L201 HydrophobicContact CD2-CB 3.92Å; F193-L201 HydrophobicContact CE1-CD1 3.93Å; F193-L201 HydrophobicContact CE1-CD2 4.2Å; F193-L201 HydrophobicContact CE1-CG 4.43Å; F193-L201 HydrophobicContact CE2-CB 4.39Å; F193-L201 HydrophobicContact CG-CB 3.78Å; F193-L201 HydrophobicContact CG-CD1 4.25Å; F193-L201 HydrophobicContact CG-CG 4.47Å; F193-L201 HydrophobicContact CZ-CD2 4.18Å; F193-L204 HydrophobicContact CB-CD1 3.85Å; F193-V228 HydrophobicContact CZ-CG1 4.02Å |
| 194 | A | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -55.6 | 144.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N196 D197 D200 | A194-N196 PolarHBondContact O-N 3.17Å; A194-D197 HydrophobicContact CB-CB 3.83Å; A194-D197 WeakPolarHBondContact O-CB 3.47Å; A194-D197 PolarHBondContact O-N 2.76Å; A194-D200 HydrophobicContact CB-CB 4.36Å; A194-D200 PolarHBondContact N-OD2 3.12Å |
| 195 | H | 98.5 | Very high | 98.4 | Very high | 50 Ų | 50 | 45 Ų | 45 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 127.1 | -171.7 | 172.9 | 56.4 | 0 | 0 | 0 | 111.7 | D172 D197 Y232 Y235 D237 | D172-H195 VanDerWaalsContact OD1-CA 3.31Å; D172-H195 WeakPolarHBondContact OD1-CA 3.33Å; D172-H195 IonicContact OD1-CE1 3.17Å; D172-H195 IonicContact OD1-CG 2.66Å; D172-H195 IonicContact OD1-ND1 3.63Å; D172-H195 PolarHBondContact OD1-ND1 3.25Å; D172-H195 IonicContact OD2-ND1 2.68Å; H195-D197 PolarHBondContact O-N 2.8Å; H195-Y232 AromaticContact CE1-CD1 3.8Å; H195-Y232 AromaticContact CE1-CD2 3.51Å; H195-Y232 AromaticContact CE1-CE2 3.8Å; H195-Y232 AromaticContact CE1-CG 3.49Å; H195-Y232 VanDerWaalsContact CE1-CG 3.49Å; H195-Y235 AromaticContact CD2-CD1 3.94Å; H195-Y235 AromaticContact CD2-CG 3.88Å; H195-Y235 AromaticContact CE1-CD2 3.72Å; H195-Y235 AromaticContact CE1-CG 3.93Å; H195-Y235 AromaticContact NE2-CD1 3.82Å; H195-Y235 AromaticContact NE2-CD2 3.58Å; H195-Y235 AromaticContact NE2-CG 3.33Å; H195-Y235 VanDerWaalsContact NE2-CG 3.33Å; H195-D237 IonicContact CE1-OD1 2.82Å; H195-D237 PolarHBondContact CE1-OD1 3.24Å; H195-D237 IonicContact CE1-OD2 2.67Å; H195-D237 IonicContact NE2-OD1 3.98Å; H195-D237 PolarHBondContact NE2-OD1 3.4Å; H195-D237 IonicContact NE2-OD2 2.68Å; H195-D237 PolarHBondContact NE2-OD2 2.83Å |
| 196 | N | 98 | Very high | 98.6 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 12.5 | -176.7 | -120.9 | 13 | 0 | 0 | 0 | 115.5 | D172 A194 T198 D237 I238 C239 P240 | D172-N196 PolarHBondContact OD2-N 3.05Å; A194-N196 PolarHBondContact O-N 3.17Å; N196-T198 PolarHBondContact O-N 3.36Å; N196-D237 PolarHBondContact ND2-OD2 3.2Å; N196-I238 PolarHBondContact ND2-O 3.19Å; N196-C239 WeakPolarHBondContact OD1-CA 3.41Å; N196-P240 WeakPolarHBondContact OD1-CD 3.4Å |
| 197 | D | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | trans | -95.1 | 98.1 | -176.3 | -171.3 | -19.3 | 0 | 0 | 0 | 111.8 | F193 A194 H195 A199 D200 L201 | F193-D197 WeakPolarHBondContact CD2-O 3.47Å; A194-D197 HydrophobicContact CB-CB 3.83Å; A194-D197 WeakPolarHBondContact O-CB 3.47Å; A194-D197 PolarHBondContact O-N 2.76Å; H195-D197 PolarHBondContact O-N 2.8Å; D197-A199 VanDerWaalsContact C-N 3.29Å; D197-A199 PolarHBondContact O-N 3Å; D197-A199 WeakPolarHBondContact OD1-CA 3.35Å; D197-A199 WeakPolarHBondContact OD1-CB 3.14Å; D197-A199 PolarHBondContact OD1-N 2.84Å; D197-D200 HydrophobicContact CB-CB 4.12Å; D197-D200 PolarHBondContact O-N 2.95Å; D197-D200 PolarHBondContact OD1-N 3.16Å; D197-L201 PolarHBondContact O-N 2.97Å; D197-L201 VanDerWaalsContact O-N 3.12Å | ||
| 198 | T | 98.7 | Very high | 98.7 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.6 | -18.1 | 178.5 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | N196 E202 P240 E243 L244 | N196-T198 PolarHBondContact O-N 3.36Å; T198-E202 WeakPolarHBondContact O-CB 3.4Å; T198-E202 PolarHBondContact O-N 2.68Å; T198-P240 HydrophobicContact CG2-CB 4.14Å; T198-P240 HydrophobicContact CG2-CG 3.36Å; T198-E243 HydrophobicContact CG2-CB 3.8Å; T198-L244 HydrophobicContact CG2-CD2 4.11Å |
| 199 | A | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 44 Ų | 44 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -74.9 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D197 E202 R203 | D197-A199 VanDerWaalsContact C-N 3.29Å; D197-A199 PolarHBondContact O-N 3Å; D197-A199 WeakPolarHBondContact OD1-CA 3.35Å; D197-A199 WeakPolarHBondContact OD1-CB 3.14Å; D197-A199 PolarHBondContact OD1-N 2.84Å; A199-E202 PolarHBondContact O-N 3.14Å; A199-R203 PolarHBondContact O-N 3.1Å |
| 200 | D | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 43 Ų | 43 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 173 | -168.5 | 40.9 | 0 | 0 | 0 | 111.7 | F193 A194 D197 E202 R203 L204 | F193-D200 VanDerWaalsContact CA-OD2 3.28Å; F193-D200 WeakPolarHBondContact CA-OD2 3.41Å; F193-D200 HydrophobicContact CB-CB 4.33Å; A194-D200 HydrophobicContact CB-CB 4.36Å; A194-D200 PolarHBondContact N-OD2 3.12Å; D197-D200 HydrophobicContact CB-CB 4.12Å; D197-D200 PolarHBondContact O-N 2.95Å; D197-D200 PolarHBondContact OD1-N 3.16Å; D200-E202 PolarHBondContact O-N 3.12Å; D200-R203 WeakPolarHBondContact O-CB 3.06Å; D200-R203 PolarHBondContact O-N 3.37Å; D200-R203 IonicContact OD1-CZ 3.83Å; D200-R203 IonicContact OD1-NE 3.12Å; D200-R203 PolarHBondContact OD1-NE 2.85Å; D200-R203 IonicContact OD1-NH2 2.78Å; D200-R203 PolarHBondContact OD1-NH2 3.31Å; D200-R203 IonicContact OD2-NH2 3.7Å; D200-L204 WeakPolarHBondContact O-CG 3.4Å; D200-L204 PolarHBondContact O-N 3.29Å |
| 201 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 170.4 | 175 | 56.8 | 0 | 0 | 0 | 111.4 | F170 F193 D197 R203 L204 L205 V226 L244 L247 | F170-L201 HydrophobicContact CB-CD1 3.61Å; F170-L201 HydrophobicContact CD1-CD1 4.22Å; F170-L201 HydrophobicContact CG-CD1 4.02Å; F193-L201 HydrophobicContact CB-CB 4.04Å; F193-L201 HydrophobicContact CD1-CB 4.11Å; F193-L201 HydrophobicContact CD1-CD1 3.7Å; F193-L201 HydrophobicContact CD1-CG 4.31Å; F193-L201 HydrophobicContact CD2-CB 3.92Å; F193-L201 HydrophobicContact CE1-CD1 3.93Å; F193-L201 HydrophobicContact CE1-CD2 4.2Å; F193-L201 HydrophobicContact CE1-CG 4.43Å; F193-L201 HydrophobicContact CE2-CB 4.39Å; F193-L201 HydrophobicContact CG-CB 3.78Å; F193-L201 HydrophobicContact CG-CD1 4.25Å; F193-L201 HydrophobicContact CG-CG 4.47Å; F193-L201 HydrophobicContact CZ-CD2 4.18Å; D197-L201 PolarHBondContact O-N 2.97Å; D197-L201 VanDerWaalsContact O-N 3.12Å; L201-R203 VanDerWaalsContact C-N 3.31Å; L201-R203 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 3.47Å; L201-L205 HydrophobicContact CD1-CD1 3.93Å; L201-L205 HydrophobicContact CD1-CG 4.02Å; L201-L205 HydrophobicContact CG-CD1 3.84Å; L201-L205 HydrophobicContact CG-CG 4.39Å; L201-L205 VanDerWaalsContact O-CG 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.12Å; L201-L205 PolarHBondContact O-N 2.94Å; L201-V226 HydrophobicContact CD1-CG2 4.27Å; L201-V226 HydrophobicContact CD2-CG1 4.18Å; L201-V226 HydrophobicContact CD2-CG2 4.37Å; L201-L244 HydrophobicContact CD2-CD2 3.52Å; L201-L247 HydrophobicContact CB-CD1 4.39Å; L201-L247 HydrophobicContact CD2-CD1 3.78Å; L201-L247 HydrophobicContact CG-CD1 3.96Å |
| 202 | E | 98.9 | Very high | 98.6 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.3 | -177.9 | 150.6 | -149.4 | 0 | 0 | 111.9 | T198 A199 D200 L204 L205 M206 R246 L247 K250 Y251 | T198-E202 WeakPolarHBondContact O-CB 3.4Å; T198-E202 PolarHBondContact O-N 2.68Å; A199-E202 PolarHBondContact O-N 3.14Å; D200-E202 PolarHBondContact O-N 3.12Å; E202-L204 PolarHBondContact O-N 3.26Å; E202-L205 PolarHBondContact O-N 3.08Å; E202-M206 HydrophobicContact CG-SD 4.44Å; E202-M206 WeakPolarHBondContact O-CG 3.37Å; E202-M206 PolarHBondContact O-N 3.5Å; E202-R246 IonicContact OE1-NH1 3.81Å; E202-R246 IonicContact OE2-CZ 2.89Å; E202-R246 IonicContact OE2-NH1 3.95Å; E202-R246 IonicContact OE2-NH2 3.96Å; E202-R246 PolarHBondContact OE2-NH2 3.37Å; E202-L247 HydrophobicContact CB-CD1 4.38Å; E202-L247 HydrophobicContact CB-CD2 3.77Å; E202-L247 HydrophobicContact CG-CD2 3.85Å; E202-K250 WeakPolarHBondContact OE1-CE 3.07Å; E202-K250 IonicContact OE1-NZ 2.92Å; E202-K250 PolarHBondContact OE1-NZ 3.47Å; E202-Y251 HydrophobicContact CG-CE2 3.97Å; E202-Y251 WeakPolarHBondContact CG-OH 3.21Å; E202-Y251 PolarHBondContact OE1-OH 3.06Å; E202-Y251 VanDerWaalsContact OE1-OH 3.07Å |
| 203 | R | 98.9 | Very high | 98.6 | Very high | 121 Ų | 121 | 51.3 Ų | 51.3 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.3 | -175.9 | -170.4 | 66.1 | 77.6 | 2.2 | 111.8 | A199 D200 L201 M206 I207 | A199-R203 PolarHBondContact O-N 3.1Å; D200-R203 WeakPolarHBondContact O-CB 3.06Å; D200-R203 PolarHBondContact O-N 3.37Å; D200-R203 IonicContact OD1-CZ 3.83Å; D200-R203 IonicContact OD1-NE 3.12Å; D200-R203 PolarHBondContact OD1-NE 2.85Å; D200-R203 IonicContact OD1-NH2 2.78Å; D200-R203 PolarHBondContact OD1-NH2 3.31Å; D200-R203 IonicContact OD2-NH2 3.7Å; L201-R203 VanDerWaalsContact C-N 3.31Å; L201-R203 PolarHBondContact O-N 3.29Å; R203-M206 PolarHBondContact O-N 3.04Å; R203-I207 HydrophobicContact CG-CD1 4.48Å; R203-I207 WeakPolarHBondContact O-CG1 3.09Å; R203-I207 PolarHBondContact O-N 3.38Å; R203-I207 VanDerWaalsContact O-N 3.09Å |
| 204 | L | 98.9 | Very high | 98.5 | Very high | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 177.2 | -67.7 | 177.1 | 0 | 0 | 0 | 112.2 | F170 E191 F192 F193 D200 L201 E202 I207 Q208 | F170-L204 HydrophobicContact CD1-CB 3.87Å; F170-L204 HydrophobicContact CD1-CD1 4.42Å; F170-L204 HydrophobicContact CE1-CB 3.77Å; E191-L204 HydrophobicContact CB-CD1 4.38Å; F192-L204 WeakPolarHBondContact O-CD1 3.39Å; F193-L204 HydrophobicContact CB-CD1 3.85Å; D200-L204 WeakPolarHBondContact O-CG 3.4Å; D200-L204 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 3.47Å; E202-L204 PolarHBondContact O-N 3.26Å; L204-I207 PolarHBondContact O-N 3.19Å; L204-Q208 PolarHBondContact O-N 3.2Å |
| 205 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 175.5 | -71.6 | 168.3 | 0 | 0 | 0 | 111.9 | F170 L201 E202 Q208 A209 L247 Y251 V253 | F170-L205 HydrophobicContact CD1-CD2 4.48Å; F170-L205 HydrophobicContact CD2-CD2 3.78Å; F170-L205 HydrophobicContact CE1-CD2 4.3Å; F170-L205 HydrophobicContact CE2-CD2 3.58Å; F170-L205 HydrophobicContact CG-CD2 4.24Å; F170-L205 HydrophobicContact CZ-CD2 3.86Å; L201-L205 HydrophobicContact CD1-CD1 3.93Å; L201-L205 HydrophobicContact CD1-CG 4.02Å; L201-L205 HydrophobicContact CG-CD1 3.84Å; L201-L205 HydrophobicContact CG-CG 4.39Å; L201-L205 VanDerWaalsContact O-CG 3.3Å; L201-L205 WeakPolarHBondContact O-CG 3.12Å; L201-L205 PolarHBondContact O-N 2.94Å; E202-L205 PolarHBondContact O-N 3.08Å; L205-Q208 PolarHBondContact O-N 2.96Å; L205-A209 WeakPolarHBondContact O-CB 3.42Å; L205-A209 PolarHBondContact O-N 3.22Å; L205-L247 HydrophobicContact CD1-CB 4.07Å; L205-L247 HydrophobicContact CD1-CD1 4.35Å; L205-L247 HydrophobicContact CD1-CD2 4.41Å; L205-Y251 HydrophobicContact CB-CD1 3.93Å; L205-Y251 HydrophobicContact CB-CD2 3.82Å; L205-Y251 HydrophobicContact CB-CE1 4.16Å; L205-Y251 HydrophobicContact CB-CE2 4.04Å; L205-Y251 HydrophobicContact CB-CG 3.75Å; L205-Y251 HydrophobicContact CD1-CD2 3.66Å; L205-Y251 HydrophobicContact CD1-CE2 4.23Å; L205-Y251 HydrophobicContact CD1-CG 4.14Å; L205-Y251 HydrophobicContact CD2-CG 4.46Å; L205-Y251 HydrophobicContact CG-CD2 4.28Å; L205-Y251 HydrophobicContact CG-CG 4.35Å; L205-V253 HydrophobicContact CD2-CG1 3.63Å |
| 206 | M | 98.8 | Very high | 98.4 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 173.4 | -71.6 | 175.3 | 63.9 | 0 | 0 | 112 | E202 R203 Q208 A209 E210 Y251 | E202-M206 HydrophobicContact CG-SD 4.44Å; E202-M206 WeakPolarHBondContact O-CG 3.37Å; E202-M206 PolarHBondContact O-N 3.5Å; R203-M206 PolarHBondContact O-N 3.04Å; M206-Q208 PolarHBondContact O-N 2.98Å; M206-A209 PolarHBondContact O-N 3.26Å; M206-E210 PolarHBondContact O-N 2.96Å; M206-Y251 HydrophobicContact CG-CE1 4.11Å; M206-Y251 WeakPolarHBondContact CG-OH 3.41Å |
| 207 | I | 98.8 | Very high | 98.4 | Very high | 68 Ų | 68 | 67.7 Ų | 67.7 | 35% | 0.349 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 175.1 | -68.3 | 166.4 | 0 | 0 | 0 | 110.3 | R203 L204 E210 K211 | R203-I207 HydrophobicContact CG-CD1 4.48Å; R203-I207 WeakPolarHBondContact O-CG1 3.09Å; R203-I207 PolarHBondContact O-N 3.38Å; R203-I207 VanDerWaalsContact O-N 3.09Å; L204-I207 PolarHBondContact O-N 3.19Å; I207-E210 PolarHBondContact O-N 3.1Å; I207-K211 HydrophobicContact CG2-CD 4.4Å; I207-K211 WeakPolarHBondContact O-CG 3.34Å; I207-K211 PolarHBondContact O-N 3.43Å; I207-K211 VanDerWaalsContact O-N 3.09Å |
| 208 | Q | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 3% | 0.033 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 177.6 | -175.8 | 53.7 | 40.6 | 0 | 0 | 112.8 | F170 L204 L205 M206 E210 K211 D212 | F170-Q208 HydrophobicContact CE1-CB 4.41Å; F170-Q208 HydrophobicContact CE2-CG 4.48Å; F170-Q208 HydrophobicContact CZ-CB 3.66Å; F170-Q208 HydrophobicContact CZ-CG 3.9Å; L204-Q208 PolarHBondContact O-N 3.2Å; L205-Q208 PolarHBondContact O-N 2.96Å; M206-Q208 PolarHBondContact O-N 2.98Å; Q208-E210 PolarHBondContact O-N 2.94Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 2.99Å; Q208-K211 VanDerWaalsContact O-N 3.14Å; Q208-D212 PolarHBondContact NE2-OD1 2.87Å; Q208-D212 PolarHBondContact NE2-OD2 3.17Å; Q208-D212 WeakPolarHBondContact O-CB 3.32Å; Q208-D212 PolarHBondContact O-N 3.45Å |
| 209 | A | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L205 M206 D212 R213 Y251 | L205-A209 WeakPolarHBondContact O-CB 3.42Å; L205-A209 PolarHBondContact O-N 3.22Å; M206-A209 PolarHBondContact O-N 3.26Å; A209-D212 PolarHBondContact O-N 3.23Å; A209-R213 PolarHBondContact O-N 2.83Å; A209-Y251 HydrophobicContact CB-CD1 4.43Å |
| 210 | E | 98.5 | Very high | 98 | Very high | 67 Ų | 67 | 77.2 Ų | 77.2 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 173 | -177.1 | 55.8 | -142.4 | 0 | 0 | 112 | M206 I207 Q208 D212 R213 L214 | M206-E210 PolarHBondContact O-N 2.96Å; I207-E210 PolarHBondContact O-N 3.1Å; Q208-E210 PolarHBondContact O-N 2.94Å; E210-D212 PolarHBondContact O-N 3.25Å; E210-R213 WeakPolarHBondContact O-CB 3.43Å; E210-R213 PolarHBondContact O-N 3.44Å; E210-R213 IonicContact OE1-CZ 2.81Å; E210-R213 IonicContact OE1-NE 3.22Å; E210-R213 IonicContact OE1-NH1 3.99Å; E210-R213 IonicContact OE1-NH2 2.68Å; E210-R213 PolarHBondContact OE1-NH2 2.67Å; E210-R213 IonicContact OE2-CZ 3.79Å; E210-R213 IonicContact OE2-NE 2.61Å; E210-R213 IonicContact OE2-NH1 2.73Å; E210-R213 PolarHBondContact OE2-NH1 2.7Å; E210-R213 IonicContact OE2-NH2 3.14Å; E210-R213 PolarHBondContact OE2-NH2 3.15Å; E210-L214 HydrophobicContact CG-CD1 4.43Å; E210-L214 WeakPolarHBondContact O-CG 3.29Å; E210-L214 PolarHBondContact O-N 2.71Å; E210-L214 VanDerWaalsContact O-N 3.09Å |
| 211 | K | 97.8 | Very high | 97.9 | Very high | 91 Ų | 91 | 80.8 Ų | 80.8 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.9 | -38.1 | 174.9 | -71.4 | 170.5 | -177 | 172 | 0 | 111.8 | I207 Q208 L214 N215 | I207-K211 HydrophobicContact CG2-CD 4.4Å; I207-K211 WeakPolarHBondContact O-CG 3.34Å; I207-K211 PolarHBondContact O-N 3.43Å; I207-K211 VanDerWaalsContact O-N 3.09Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 2.99Å; Q208-K211 VanDerWaalsContact O-N 3.14Å; K211-L214 PolarHBondContact O-N 3.36Å; K211-N215 PolarHBondContact O-N 3.36Å |
| 212 | D | 98.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 179.3 | -69.7 | -34.2 | 0 | 0 | 0 | 112.5 | Q208 A209 E210 L214 N215 A219 R224 | Q208-D212 PolarHBondContact NE2-OD1 2.87Å; Q208-D212 PolarHBondContact NE2-OD2 3.17Å; Q208-D212 WeakPolarHBondContact O-CB 3.32Å; Q208-D212 PolarHBondContact O-N 3.45Å; A209-D212 PolarHBondContact O-N 3.23Å; E210-D212 PolarHBondContact O-N 3.25Å; D212-L214 VanDerWaalsContact C-N 3.3Å; D212-L214 PolarHBondContact O-N 3.1Å; D212-N215 CarbonylContact O-C 3.58Å; D212-N215 PolarHBondContact O-N 2.78Å; D212-A219 HydrophobicContact CB-CB 3.61Å; D212-R224 IonicContact OD1-CZ 3.64Å; D212-R224 IonicContact OD1-NE 2.73Å; D212-R224 IonicContact OD1-NH2 2.78Å; D212-R224 PolarHBondContact OD1-NH2 2.98Å; D212-R224 IonicContact OD2-CZ 3.69Å; D212-R224 IonicContact OD2-NE 3.69Å; D212-R224 PolarHBondContact OD2-NE 2.68Å; D212-R224 IonicContact OD2-NH2 2.65Å; D212-R224 PolarHBondContact OD2-NH2 2.96Å |
| 213 | R | 97.5 | Very high | 97.8 | Very high | 170 Ų | 170 | 83.7 Ų | 83.7 | 64% | 0.642 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 174.3 | -170.1 | -177.2 | 77.1 | -150.6 | 7.1 | 111.6 | A209 E210 N215 | A209-R213 PolarHBondContact O-N 2.83Å; E210-R213 WeakPolarHBondContact O-CB 3.43Å; E210-R213 PolarHBondContact O-N 3.44Å; E210-R213 IonicContact OE1-CZ 2.81Å; E210-R213 IonicContact OE1-NE 3.22Å; E210-R213 IonicContact OE1-NH1 3.99Å; E210-R213 IonicContact OE1-NH2 2.68Å; E210-R213 PolarHBondContact OE1-NH2 2.67Å; E210-R213 IonicContact OE2-CZ 3.79Å; E210-R213 IonicContact OE2-NE 2.61Å; E210-R213 IonicContact OE2-NH1 2.73Å; E210-R213 PolarHBondContact OE2-NH1 2.7Å; E210-R213 IonicContact OE2-NH2 3.14Å; E210-R213 PolarHBondContact OE2-NH2 3.15Å; R213-N215 VanDerWaalsContact C-N 3.31Å; R213-N215 PolarHBondContact O-N 2.74Å |
| 214 | L | 98.1 | Very high | 97.8 | Very high | 130 Ų | 130 | 79.5 Ų | 79.5 | 68% | 0.681 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.1 | -22.4 | 179 | -65.4 | 172.9 | 0 | 0 | 0 | 113.2 | E210 K211 D212 | E210-L214 HydrophobicContact CG-CD1 4.43Å; E210-L214 WeakPolarHBondContact O-CG 3.29Å; E210-L214 PolarHBondContact O-N 2.71Å; E210-L214 VanDerWaalsContact O-N 3.09Å; K211-L214 PolarHBondContact O-N 3.36Å; D212-L214 VanDerWaalsContact C-N 3.3Å; D212-L214 PolarHBondContact O-N 3.1Å |
| 215 | N | 97.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 78.9 Ų | 78.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | trans | -138.9 | 76 | 176.7 | -167.7 | -21.3 | 0 | 0 | 0 | 112.8 | K211 D212 R213 K217 K218 A219 | K211-N215 PolarHBondContact O-N 3.36Å; D212-N215 CarbonylContact O-C 3.58Å; D212-N215 PolarHBondContact O-N 2.78Å; R213-N215 VanDerWaalsContact C-N 3.31Å; R213-N215 PolarHBondContact O-N 2.74Å; N215-K217 VanDerWaalsContact C-N 3.27Å; N215-K217 PolarHBondContact O-N 2.98Å; N215-K218 HydrophobicContact CB-CB 4.29Å; N215-K218 PolarHBondContact O-N 3.14Å; N215-K218 WeakPolarHBondContact OD1-CB 3.16Å; N215-K218 PolarHBondContact OD1-N 2.93Å; N215-K218 VanDerWaalsContact OD1-N 3.14Å; N215-A219 WeakPolarHBondContact O-CB 3.46Å; N215-A219 PolarHBondContact O-N 2.81Å | ||
| 216 | P | 97 | Very high | 97.8 | Very high | 86 Ų | 86 | 78.9 Ų | 78.9 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.9 | -32.4 | -175.9 | -25.9 | 35.5 | 0 | 0 | 0 | 114 | A219 R220 | P216-A219 PolarHBondContact O-N 2.64Å; P216-R220 WeakPolarHBondContact O-CB 3.41Å; P216-R220 PolarHBondContact O-N 2.8Å |
| 217 | K | 97.1 | Very high | 97.8 | Very high | 181 Ų | 181 | 73.7 Ų | 73.7 | 79% | 0.787 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 178.4 | -71.4 | -175 | -179.7 | 179 | 0 | 111.3 | N215 | N215-K217 VanDerWaalsContact C-N 3.27Å; N215-K217 PolarHBondContact O-N 2.98Å |
| 218 | K | 96 | Very high | 97.8 | Very high | 125 Ų | 125 | 70.5 Ų | 70.5 | 54% | 0.543 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 175.1 | -174.1 | 176.2 | 180 | 179.6 | 0 | 111.1 | N215 R220 V221 T222 | N215-K218 HydrophobicContact CB-CB 4.29Å; N215-K218 PolarHBondContact O-N 3.14Å; N215-K218 WeakPolarHBondContact OD1-CB 3.16Å; N215-K218 PolarHBondContact OD1-N 2.93Å; N215-K218 VanDerWaalsContact OD1-N 3.14Å; K218-R220 VanDerWaalsContact C-N 3.26Å; K218-R220 PolarHBondContact O-N 3.23Å; K218-V221 VanDerWaalsContact O-CG2 3.27Å; K218-V221 WeakPolarHBondContact O-CG2 3.42Å; K218-V221 PolarHBondContact O-N 3.43Å; K218-T222 WeakPolarHBondContact O-CB 3.31Å; K218-T222 PolarHBondContact O-N 3.21Å; K218-T222 PolarHBondContact O-OG1 2.93Å |
| 219 | A | 96.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 13% | 0.132 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.9 | -40.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D212 N215 P216 V221 T222 R224 | D212-A219 HydrophobicContact CB-CB 3.61Å; N215-A219 WeakPolarHBondContact O-CB 3.46Å; N215-A219 PolarHBondContact O-N 2.81Å; P216-A219 PolarHBondContact O-N 2.64Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.44Å; A219-T222 PolarHBondContact O-N 3.1Å; A219-R224 PolarHBondContact O-NH2 3.23Å |
| 220 | R | 95.8 | Very high | 97.8 | Very high | 219 Ų | 219 | 68.1 Ų | 68.1 | 83% | 0.826 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.2 | -32.7 | -179.6 | -172.7 | 176.9 | 68.6 | 128.6 | 1.1 | 114.1 | P216 K218 | P216-R220 WeakPolarHBondContact O-CB 3.41Å; P216-R220 PolarHBondContact O-N 2.8Å; K218-R220 VanDerWaalsContact C-N 3.26Å; K218-R220 PolarHBondContact O-N 3.23Å |
| 221 | V | 96.5 | Very high | 97.8 | Very high | 99 Ų | 99 | 65 Ų | 65 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -100 | -13.7 | -179 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | K218 A219 | K218-V221 VanDerWaalsContact O-CG2 3.27Å; K218-V221 WeakPolarHBondContact O-CG2 3.42Å; K218-V221 PolarHBondContact O-N 3.43Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.44Å |
| 222 | T | 97.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | trans | -77.6 | 124.3 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | V168 K218 A219 R224 | V168-T222 HydrophobicContact CG2-CG2 3.72Å; K218-T222 WeakPolarHBondContact O-CB 3.31Å; K218-T222 PolarHBondContact O-N 3.21Å; K218-T222 PolarHBondContact O-OG1 2.93Å; A219-T222 PolarHBondContact O-N 3.1Å; T222-R224 PolarHBondContact O-NH1 3.34Å | ||
| 223 | R | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 61 Ų | 61 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | trans | -94.4 | 151.1 | 168.8 | -57.1 | 167.1 | -69.5 | 176.8 | 4.7 | 109.3 | Y162 D167 V168 F225 | Y162-R223 PolarHBondContact O-NH1 2.92Å; Y162-R223 PolarHBondContact O-NH2 2.48Å; D167-R223 WeakPolarHBondContact CA-O 3.18Å; D167-R223 HydrophobicContact CB-CB 4.49Å; D167-R223 WeakPolarHBondContact CB-O 3.38Å; D167-R223 VanDerWaalsContact OD1-CB 3.23Å; D167-R223 WeakPolarHBondContact OD1-CB 3.36Å; D167-R223 IonicContact OD1-CZ 3.06Å; D167-R223 PolarHBondContact OD1-N 2.77Å; D167-R223 IonicContact OD1-NE 2.7Å; D167-R223 PolarHBondContact OD1-NE 3.13Å; D167-R223 VanDerWaalsContact OD1-NE 3.08Å; D167-R223 IonicContact OD1-NH2 3.18Å; D167-R223 IonicContact OD2-CZ 3.26Å; D167-R223 VanDerWaalsContact OD2-CZ 3.26Å; D167-R223 IonicContact OD2-NE 3.45Å; D167-R223 PolarHBondContact OD2-NE 3.19Å; D167-R223 IonicContact OD2-NH2 2.7Å; D167-R223 PolarHBondContact OD2-NH2 2.89Å; V168-R223 PolarHBondContact N-O 3.12Å; R223-F225 HydrophobicContact CB-CD2 4.47Å; R223-F225 HydrophobicContact CB-CE2 3.56Å; R223-F225 HydrophobicContact CB-CZ 3.84Å | ||
| 224 | R | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.7 | -175.3 | -64.7 | 159.8 | -161.7 | 71.6 | 11.4 | 108.5 | V168 F170 D212 A219 T222 V253 R254 | V168-R224 HydrophobicContact CB-CG 4.46Å; V168-R224 WeakPolarHBondContact O-CA 3.08Å; F170-R224 HydrophobicContact CE2-CB 4.49Å; D212-R224 IonicContact OD1-CZ 3.64Å; D212-R224 IonicContact OD1-NE 2.73Å; D212-R224 IonicContact OD1-NH2 2.78Å; D212-R224 PolarHBondContact OD1-NH2 2.98Å; D212-R224 IonicContact OD2-CZ 3.69Å; D212-R224 IonicContact OD2-NE 3.69Å; D212-R224 PolarHBondContact OD2-NE 2.68Å; D212-R224 IonicContact OD2-NH2 2.65Å; D212-R224 PolarHBondContact OD2-NH2 2.96Å; A219-R224 PolarHBondContact O-NH2 3.23Å; T222-R224 PolarHBondContact O-NH1 3.34Å; R224-V253 HydrophobicContact CB-CB 4.23Å; R224-V253 HydrophobicContact CB-CG1 3.63Å; R224-R254 PolarHBondContact O-N 3.02Å |
| 225 | F | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.4 | -175.9 | -57.8 | -93 | 0 | 0 | 0 | 109.9 | C163 D167 V168 I169 F170 R223 R254 F256 | C163-F225 HydrophobicContact CB-CD2 4.45Å; C163-F225 HydrophobicContact CB-CE2 4.32Å; D167-F225 HydrophobicContact CB-CD2 4.44Å; D167-F225 HydrophobicContact CB-CE2 4.01Å; V168-F225 PolarHBondContact O-N 3.35Å; I169-F225 HydrophobicContact CG1-CB 4.47Å; I169-F225 HydrophobicContact CG1-CD2 4.49Å; I169-F225 HydrophobicContact CG2-CB 4.45Å; F170-F225 WeakPolarHBondContact CD2-O 3.37Å; F170-F225 PolarHBondContact N-O 3.07Å; R223-F225 HydrophobicContact CB-CD2 4.47Å; R223-F225 HydrophobicContact CB-CE2 3.56Å; R223-F225 HydrophobicContact CB-CZ 3.84Å; F225-R254 CarbonylContact C-O 3.51Å; F225-R254 VanDerWaalsContact CA-O 3.25Å; F225-R254 WeakPolarHBondContact CA-O 3.17Å; F225-R254 HydrophobicContact CD1-CB 3.76Å; F225-R254 HydrophobicContact CE1-CB 4.14Å; F225-R254 HydrophobicContact CE1-CG 4.5Å; F225-F256 AromaticContact CD1-CE1 3.98Å; F225-F256 HydrophobicContact CD1-CE1 3.98Å; F225-F256 AromaticContact CD1-CE2 3.92Å; F225-F256 HydrophobicContact CD1-CE2 3.92Å; F225-F256 AromaticContact CD1-CZ 3.63Å; F225-F256 HydrophobicContact CD1-CZ 3.63Å; F225-F256 HydrophobicContact CE1-CE1 4.15Å; F225-F256 HydrophobicContact CE1-CE2 4.15Å; F225-F256 AromaticContact CE1-CZ 3.6Å; F225-F256 HydrophobicContact CE1-CZ 3.6Å |
| 226 | V | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.4 | 166.5 | 172.5 | 0 | 0 | 0 | 0 | 106.5 | F170 L201 V228 L244 V253 R254 I255 F256 | F170-V226 HydrophobicContact CB-CG2 4.15Å; F170-V226 CarbonylContact O-C 3.17Å; F170-V226 VanDerWaalsContact O-CA 3.23Å; F170-V226 WeakPolarHBondContact O-CA 3.19Å; L201-V226 HydrophobicContact CD1-CG2 4.27Å; L201-V226 HydrophobicContact CD2-CG1 4.18Å; L201-V226 HydrophobicContact CD2-CG2 4.37Å; V226-V228 HydrophobicContact CG1-CG1 4.15Å; V226-L244 HydrophobicContact CG1-CD2 4.27Å; V226-V253 HydrophobicContact CG2-CB 4.29Å; V226-V253 HydrophobicContact CG2-CG2 3.69Å; V226-R254 PolarHBondContact N-O 3.27Å; V226-I255 HydrophobicContact CB-CG1 4.17Å; V226-I255 WeakPolarHBondContact O-CA 3.38Å; V226-F256 PolarHBondContact O-N 3.13Å |
| 227 | I | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.4 | -178.1 | -51.7 | -172 | 0 | 0 | 0 | 109.2 | I159 I169 F170 C171 D172 I179 L183 F256 | I159-I227 HydrophobicContact CD1-CD1 3.92Å; I159-I227 HydrophobicContact CD1-CG2 4.25Å; I159-I227 HydrophobicContact CG1-CD1 3.98Å; I159-I227 HydrophobicContact CG2-CD1 3.99Å; I169-I227 HydrophobicContact CD1-CD1 4.31Å; I169-I227 HydrophobicContact CG2-CB 4.43Å; I169-I227 HydrophobicContact CG2-CD1 3.53Å; I169-I227 HydrophobicContact CG2-CG1 3.68Å; F170-I227 PolarHBondContact O-N 2.74Å; C171-I227 PolarHBondContact SG-O 3.42Å; D172-I227 PolarHBondContact N-O 3.19Å; I179-I227 HydrophobicContact CG2-CG2 3.89Å; L183-I227 HydrophobicContact CD2-CD1 4Å; I227-F256 WeakPolarHBondContact CA-O 3.29Å; I227-F256 HydrophobicContact CD1-CD2 4.14Å; I227-F256 HydrophobicContact CG1-CB 4.15Å; I227-F256 HydrophobicContact CG1-CD2 4.34Å; I227-F256 HydrophobicContact CG2-CB 4.48Å |
| 228 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 168.5 | -176.8 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | D172 F193 V226 Y232 C239 L244 F256 I257 D258 | D172-V228 HydrophobicContact CB-CG1 4.33Å; F193-V228 HydrophobicContact CZ-CG1 4.02Å; V226-V228 HydrophobicContact CG1-CG1 4.15Å; V228-Y232 WeakPolarHBondContact CB-OH 3.17Å; V228-C239 HydrophobicContact CB-CB 4.33Å; V228-C239 HydrophobicContact CG2-CB 4.25Å; V228-L244 HydrophobicContact CB-CD1 4.4Å; V228-L244 HydrophobicContact CG1-CD1 3.91Å; V228-L244 HydrophobicContact CG2-CD1 3.86Å; V228-F256 PolarHBondContact N-O 3.47Å; V228-I257 HydrophobicContact CG2-CG1 4.09Å; V228-I257 WeakPolarHBondContact O-CA 3.2Å; V228-D258 PolarHBondContact O-N 2.89Å |
| 229 | E | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 152.6 | 166.8 | -65.4 | 179.3 | -138.3 | 0 | 0 | 110.5 | V175 H176 I179 Y232 L233 C239 D258 | V175-E229 WeakPolarHBondContact CA-OE1 3.46Å; H176-E229 WeakPolarHBondContact CB-OE1 3.48Å; H176-E229 IonicContact CD2-OE1 3.45Å; H176-E229 PolarHBondContact CD2-OE1 3.35Å; H176-E229 VanDerWaalsContact CD2-OE1 3.25Å; H176-E229 IonicContact CD2-OE2 3.07Å; H176-E229 PolarHBondContact CD2-OE2 3.27Å; H176-E229 VanDerWaalsContact CD2-OE2 3.23Å; H176-E229 IonicContact CG-OE1 2.89Å; H176-E229 PolarHBondContact N-OE1 3.2Å; I179-E229 HydrophobicContact CD1-CG 3.68Å; E229-Y232 HydrophobicContact CB-CD1 3.87Å; E229-Y232 HydrophobicContact CB-CE1 4.08Å; E229-Y232 HydrophobicContact CB-CG 4.12Å; E229-Y232 HydrophobicContact CG-CD1 4.11Å; E229-Y232 HydrophobicContact CG-CE1 4.35Å; E229-Y232 VanDerWaalsContact OE2-CA 3.32Å; E229-Y232 WeakPolarHBondContact OE2-CA 3.48Å; E229-L233 PolarHBondContact OE2-N 3.29Å; E229-C239 WeakPolarHBondContact O-CB 3.47Å; E229-C239 PolarHBondContact O-SG 3.1Å; E229-D258 CarbonylContact C-O 3.6Å; E229-D258 WeakPolarHBondContact CA-O 3.33Å; E229-D258 HydrophobicContact CG-CB 4.34Å |
| 230 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -66.8 | -55.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | I238 C239 D258 | G230-I238 WeakPolarHBondContact O-CA 3.36Å; G230-I238 WeakPolarHBondContact O-CG2 3.19Å; G230-C239 PolarHBondContact O-N 3.44Å; G230-C239 VanDerWaalsContact O-N 3.13Å; G230-D258 PolarHBondContact N-O 2.75Å |
| 231 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -116.5 | 127.7 | 161.7 | -68.7 | 162.8 | 0 | 0 | 0 | 107.5 | L233 D237 I238 V261 V265 L266 S375 L377 | I231-L233 PolarHBondContact O-N 2.93Å; I231-D237 CarbonylContact C-O 3.4Å; I231-D237 VanDerWaalsContact CA-O 3.29Å; I231-D237 WeakPolarHBondContact CA-O 3.42Å; I231-I238 HydrophobicContact CG1-CG1 4Å; I231-V261 HydrophobicContact CB-CB 3.96Å; I231-V261 HydrophobicContact CB-CG1 3.76Å; I231-V261 HydrophobicContact CD1-CG1 4.22Å; I231-V261 HydrophobicContact CG2-CB 4.25Å; I231-V261 HydrophobicContact CG2-CG1 3.62Å; I231-V265 HydrophobicContact CD1-CG1 3.96Å; I231-L266 HydrophobicContact CD1-CD1 3.78Å; I231-L266 HydrophobicContact CD1-CD2 4.07Å; I231-L266 HydrophobicContact CD1-CG 3.69Å; I231-L266 HydrophobicContact CG1-CD1 3.68Å; I231-L266 HydrophobicContact CG1-CG 4.19Å; I231-S375 WeakPolarHBondContact CD1-OG 3.33Å; I231-L377 HydrophobicContact CG2-CD2 4.34Å |
| 232 | Y | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | trans | -71.8 | 120 | 179.7 | -73.4 | -88 | 0 | 0 | 0 | 111.8 | D172 V175 H195 V228 E229 Y234 Y235 G236 D237 C239 | D172-Y232 HydrophobicContact CB-CE1 3.84Å; D172-Y232 WeakPolarHBondContact CB-OH 3.24Å; D172-Y232 VanDerWaalsContact CG-CZ 3.48Å; D172-Y232 PolarHBondContact OD2-OH 2.92Å; V175-Y232 HydrophobicContact CG1-CE1 4.21Å; H195-Y232 AromaticContact CE1-CD1 3.8Å; H195-Y232 AromaticContact CE1-CD2 3.51Å; H195-Y232 AromaticContact CE1-CE2 3.8Å; H195-Y232 AromaticContact CE1-CG 3.49Å; H195-Y232 VanDerWaalsContact CE1-CG 3.49Å; V228-Y232 WeakPolarHBondContact CB-OH 3.17Å; E229-Y232 HydrophobicContact CB-CD1 3.87Å; E229-Y232 HydrophobicContact CB-CE1 4.08Å; E229-Y232 HydrophobicContact CB-CG 4.12Å; E229-Y232 HydrophobicContact CG-CD1 4.11Å; E229-Y232 HydrophobicContact CG-CE1 4.35Å; E229-Y232 VanDerWaalsContact OE2-CA 3.32Å; E229-Y232 WeakPolarHBondContact OE2-CA 3.48Å; Y232-Y234 PolarHBondContact O-N 3.2Å; Y232-Y234 VanDerWaalsContact O-N 3.1Å; Y232-Y235 PolarHBondContact O-N 3.42Å; Y232-Y235 VanDerWaalsContact O-N 3.1Å; Y232-G236 WeakPolarHBondContact O-CA 3.22Å; Y232-G236 PolarHBondContact O-N 3.07Å; Y232-D237 WeakPolarHBondContact CD2-OD1 3.41Å; Y232-D237 PolarHBondContact N-O 3.01Å; Y232-C239 HydrophobicContact CE2-CB 3.99Å | ||
| 233 | L | 97.3 | Very high | 98.4 | Very high | 35 Ų | 35 | 21.2 Ų | 21.2 | 18% | 0.183 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.9 | -178.3 | 178 | 61.7 | 0 | 0 | 0 | 113.6 | M90 H176 E229 I231 V261 L377 H379 | M90-L233 HydrophobicContact CE-CD1 4.09Å; M90-L233 HydrophobicContact SD-CD1 3.65Å; H176-L233 HydrophobicContact CB-CB 4.08Å; H176-L233 HydrophobicContact CB-CD2 3.89Å; E229-L233 PolarHBondContact OE2-N 3.29Å; I231-L233 PolarHBondContact O-N 2.93Å; L233-V261 HydrophobicContact CB-CG2 4.3Å; L233-V261 HydrophobicContact CD1-CG2 4.15Å; L233-L377 HydrophobicContact CD1-CD2 4.23Å; L233-H379 PolarHBondContact O-CE1 3.45Å; L233-H379 VanDerWaalsContact O-CE1 3.25Å; L233-H379 PolarHBondContact O-NE2 2.53Å |
| 234 | Y | 96.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 17.3 Ų | 17.3 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -11.4 | -178.2 | -59.8 | -30.1 | 0 | 0 | 0 | 113.9 | H176 F177 Y232 R381 M409 E416 I420 | H176-Y234 VanDerWaalsContact CA-CE2 3.45Å; H176-Y234 HydrophobicContact CB-CE1 4.37Å; H176-Y234 HydrophobicContact CB-CE2 4.07Å; F177-Y234 PolarHBondContact N-OH 3.35Å; Y232-Y234 PolarHBondContact O-N 3.2Å; Y232-Y234 VanDerWaalsContact O-N 3.1Å; Y234-R381 PolarHBondContact O-NH2 3.19Å; Y234-M409 HydrophobicContact CD1-CE 3.98Å; Y234-M409 HydrophobicContact CD1-SD 3.54Å; Y234-M409 VanDerWaalsContact CD1-SD 3.54Å; Y234-M409 HydrophobicContact CE1-SD 4.2Å; Y234-M409 HydrophobicContact CG-CE 4.4Å; Y234-M409 HydrophobicContact CG-SD 4.45Å; Y234-E416 PolarHBondContact OH-OE1 3.46Å; Y234-I420 HydrophobicContact CD1-CG2 4.23Å; Y234-I420 HydrophobicContact CD2-CD1 3.69Å; Y234-I420 HydrophobicContact CD2-CG1 3.87Å; Y234-I420 HydrophobicContact CD2-CG2 4.05Å; Y234-I420 HydrophobicContact CE1-CD1 4.14Å; Y234-I420 HydrophobicContact CE2-CD1 3.2Å; Y234-I420 HydrophobicContact CE2-CG1 3.88Å; Y234-I420 HydrophobicContact CG-CD1 4.33Å; Y234-I420 HydrophobicContact CG-CG1 4.49Å; Y234-I420 HydrophobicContact CG-CG2 3.83Å; Y234-I420 VanDerWaalsContact CZ-CD1 3.47Å |
| 235 | Y | 96.9 | Very high | 98.4 | Very high | 46 Ų | 46 | 16.4 Ų | 16.4 | 18% | 0.18 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -20.3 | -171.5 | -62.3 | -86.5 | 0 | 0 | 0 | 112.8 | G174 H195 Y232 D237 D370 G371 P421 | G174-Y235 VanDerWaalsContact CA-CE2 3.47Å; H195-Y235 AromaticContact CD2-CD1 3.94Å; H195-Y235 AromaticContact CD2-CG 3.88Å; H195-Y235 AromaticContact CE1-CD2 3.72Å; H195-Y235 AromaticContact CE1-CG 3.93Å; H195-Y235 AromaticContact NE2-CD1 3.82Å; H195-Y235 AromaticContact NE2-CD2 3.58Å; H195-Y235 AromaticContact NE2-CG 3.33Å; H195-Y235 VanDerWaalsContact NE2-CG 3.33Å; Y232-Y235 PolarHBondContact O-N 3.42Å; Y232-Y235 VanDerWaalsContact O-N 3.1Å; Y235-D237 WeakPolarHBondContact CB-OD1 3.47Å; Y235-D237 PolarHBondContact O-N 3.1Å; Y235-D370 CarbonylContact O-C 3.51Å; Y235-D370 WeakPolarHBondContact O-CB 3.32Å; Y235-G371 PolarHBondContact O-N 2.86Å; Y235-P421 HydrophobicContact CE1-CG 4.49Å |
| 236 | G | 97.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 71.6 | 0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y232 | Y232-G236 WeakPolarHBondContact O-CA 3.22Å; Y232-G236 PolarHBondContact O-N 3.07Å | ||
| 237 | D | 97.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 19% | 0.187 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -88.8 | 163.5 | 177.7 | 70.6 | -22 | 0 | 0 | 0 | 112.3 | H195 N196 I231 Y232 Y235 | H195-D237 IonicContact CE1-OD1 2.82Å; H195-D237 PolarHBondContact CE1-OD1 3.24Å; H195-D237 IonicContact CE1-OD2 2.67Å; H195-D237 IonicContact NE2-OD1 3.98Å; H195-D237 PolarHBondContact NE2-OD1 3.4Å; H195-D237 IonicContact NE2-OD2 2.68Å; H195-D237 PolarHBondContact NE2-OD2 2.83Å; N196-D237 PolarHBondContact ND2-OD2 3.2Å; I231-D237 CarbonylContact C-O 3.4Å; I231-D237 VanDerWaalsContact CA-O 3.29Å; I231-D237 WeakPolarHBondContact CA-O 3.42Å; Y232-D237 WeakPolarHBondContact CD2-OD1 3.41Å; Y232-D237 PolarHBondContact N-O 3.01Å; Y235-D237 WeakPolarHBondContact CB-OD1 3.47Å; Y235-D237 PolarHBondContact O-N 3.1Å |
| 238 | I | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 22 Ų | 22 | 10% | 0.103 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 141 | -174.9 | -58.6 | 175.4 | 0 | 0 | 0 | 108.9 | N196 G230 I231 L266 V273 Y276 F277 V372 | N196-I238 PolarHBondContact ND2-O 3.19Å; G230-I238 WeakPolarHBondContact O-CA 3.36Å; G230-I238 WeakPolarHBondContact O-CG2 3.19Å; I231-I238 HydrophobicContact CG1-CG1 4Å; I238-L266 HydrophobicContact CD1-CD1 3.76Å; I238-L266 HydrophobicContact CD1-CD2 3.91Å; I238-L266 HydrophobicContact CG1-CD1 3.98Å; I238-L266 HydrophobicContact CG2-CD1 4.13Å; I238-V273 HydrophobicContact CG2-CG2 3.54Å; I238-Y276 HydrophobicContact CD1-CD1 4.43Å; I238-Y276 HydrophobicContact CD1-CE1 3.96Å; I238-Y276 HydrophobicContact CD1-CE2 4.36Å; I238-F277 HydrophobicContact CG2-CE2 3.84Å; I238-F277 HydrophobicContact CG2-CZ 4.22Å; I238-V372 HydrophobicContact CD1-CG2 3.7Å; I238-V372 HydrophobicContact CG1-CG2 3.83Å |
| 239 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 145.8 | 173.5 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | N196 V228 E229 G230 Y232 L241 L244 F277 | N196-C239 WeakPolarHBondContact OD1-CA 3.41Å; V228-C239 HydrophobicContact CB-CB 4.33Å; V228-C239 HydrophobicContact CG2-CB 4.25Å; E229-C239 WeakPolarHBondContact O-CB 3.47Å; E229-C239 PolarHBondContact O-SG 3.1Å; G230-C239 PolarHBondContact O-N 3.44Å; G230-C239 VanDerWaalsContact O-N 3.13Å; Y232-C239 HydrophobicContact CE2-CB 3.99Å; C239-L241 PolarHBondContact O-N 3.06Å; C239-L244 HydrophobicContact CB-CD1 4.2Å; C239-F277 WeakPolarHBondContact O-CE2 3.44Å |
| 240 | P | 98.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 16% | 0.162 | 15% | 0.152 | C | C | . | . | trans | -78.9 | 66.8 | 178.7 | 32.6 | -38.6 | 0 | 0 | 0 | 110.4 | N196 T198 P242 E243 L244 | N196-P240 WeakPolarHBondContact OD1-CD 3.4Å; T198-P240 HydrophobicContact CG2-CB 4.14Å; T198-P240 HydrophobicContact CG2-CG 3.36Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-P242 VanDerWaalsContact C-N 3.34Å; P240-E243 HydrophobicContact CB-CB 4.36Å; P240-E243 WeakPolarHBondContact CB-OE2 3.21Å; P240-E243 PolarHBondContact O-N 2.73Å; P240-E243 VanDerWaalsContact O-N 3.14Å; P240-L244 HydrophobicContact CG-CG 4.48Å; P240-L244 WeakPolarHBondContact O-CG 3.13Å; P240-L244 PolarHBondContact O-N 3.49Å | ||
| 241 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52 | -43 | -175.2 | -178.3 | 63.1 | 0 | 0 | 0 | 113.4 | C239 E243 L244 L245 I257 V273 V274 F277 A279 V284 | C239-L241 PolarHBondContact O-N 3.06Å; L241-E243 VanDerWaalsContact C-N 3.33Å; L241-E243 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 2.85Å; L241-L245 HydrophobicContact CD1-CD1 4.33Å; L241-L245 HydrophobicContact CD1-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CG 3.95Å; L241-L245 HydrophobicContact CG-CD1 4.08Å; L241-L245 HydrophobicContact CG-CG 4.15Å; L241-L245 VanDerWaalsContact O-CG 3.32Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 2.8Å; L241-I257 HydrophobicContact CD1-CD1 3.67Å; L241-V273 HydrophobicContact CB-CG2 4.37Å; L241-V273 HydrophobicContact CD2-CG1 4.32Å; L241-V274 HydrophobicContact CD2-CB 4.32Å; L241-V274 HydrophobicContact CD2-CG2 4.01Å; L241-F277 HydrophobicContact CB-CD2 3.63Å; L241-F277 HydrophobicContact CB-CE2 3.95Å; L241-F277 HydrophobicContact CB-CG 4.42Å; L241-F277 HydrophobicContact CD2-CD2 4.27Å; L241-A279 HydrophobicContact CD2-CB 4.02Å; L241-V284 HydrophobicContact CD1-CG2 4.44Å |
| 242 | P | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 42.2 Ų | 42.2 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.7 | -44.5 | 178.2 | -26 | 36.5 | 0 | 0 | 0 | 113.2 | P240 L245 R246 F277 | P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-P242 VanDerWaalsContact C-N 3.34Å; P242-L245 PolarHBondContact O-N 3.38Å; P242-R246 PolarHBondContact O-N 2.78Å; P242-F277 HydrophobicContact CG-CB 4.23Å; P242-F277 HydrophobicContact CG-CD1 3.59Å; P242-F277 HydrophobicContact CG-CE1 4.01Å; P242-F277 HydrophobicContact CG-CG 3.88Å |
| 243 | E | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 39% | 0.388 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.1 | -39 | 177.4 | -69.9 | 66.9 | -148 | 0 | 0 | 111.6 | T198 P240 L241 R246 L247 | T198-E243 HydrophobicContact CG2-CB 3.8Å; P240-E243 HydrophobicContact CB-CB 4.36Å; P240-E243 WeakPolarHBondContact CB-OE2 3.21Å; P240-E243 PolarHBondContact O-N 2.73Å; P240-E243 VanDerWaalsContact O-N 3.14Å; L241-E243 VanDerWaalsContact C-N 3.33Å; L241-E243 PolarHBondContact O-N 2.99Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.1Å; E243-L247 WeakPolarHBondContact O-CG 3.17Å; E243-L247 PolarHBondContact O-N 2.75Å |
| 244 | L | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 174.5 | -64.3 | 176.8 | 0 | 0 | 0 | 111.1 | T198 L201 V226 V228 C239 P240 L241 R246 L247 K248 I255 | T198-L244 HydrophobicContact CG2-CD2 4.11Å; L201-L244 HydrophobicContact CD2-CD2 3.52Å; V226-L244 HydrophobicContact CG1-CD2 4.27Å; V228-L244 HydrophobicContact CB-CD1 4.4Å; V228-L244 HydrophobicContact CG1-CD1 3.91Å; V228-L244 HydrophobicContact CG2-CD1 3.86Å; C239-L244 HydrophobicContact CB-CD1 4.2Å; P240-L244 HydrophobicContact CG-CG 4.48Å; P240-L244 WeakPolarHBondContact O-CG 3.13Å; P240-L244 PolarHBondContact O-N 3.49Å; L241-L244 PolarHBondContact O-N 2.85Å; L244-R246 PolarHBondContact O-N 3.34Å; L244-L247 CarbonylContact O-C 3.49Å; L244-L247 PolarHBondContact O-N 3.09Å; L244-K248 WeakPolarHBondContact O-CB 3.26Å; L244-K248 PolarHBondContact O-N 2.73Å; L244-I255 HydrophobicContact CB-CD1 3.92Å; L244-I255 WeakPolarHBondContact O-CD1 3.5Å |
| 245 | L | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 175.6 | -69.4 | -180 | 0 | 0 | 0 | 111.8 | L241 P242 L247 K248 W249 I255 A279 E283 | L241-L245 HydrophobicContact CD1-CD1 4.33Å; L241-L245 HydrophobicContact CD1-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CG 3.95Å; L241-L245 HydrophobicContact CG-CD1 4.08Å; L241-L245 HydrophobicContact CG-CG 4.15Å; L241-L245 VanDerWaalsContact O-CG 3.32Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 2.8Å; P242-L245 PolarHBondContact O-N 3.38Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 2.91Å; L245-K248 HydrophobicContact CD2-CD 4.31Å; L245-K248 VanDerWaalsContact O-CB 3.28Å; L245-K248 WeakPolarHBondContact O-CB 3.18Å; L245-K248 PolarHBondContact O-N 3.26Å; L245-W249 PolarHBondContact O-N 3.08Å; L245-W249 VanDerWaalsContact O-N 3.16Å; L245-I255 HydrophobicContact CD2-CD1 4.08Å; L245-A279 HydrophobicContact CD1-CB 3.8Å; L245-E283 HydrophobicContact CD1-CB 4.39Å; L245-E283 HydrophobicContact CD2-CB 3.62Å |
| 246 | R | 98.8 | Very high | 98.5 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57 | -46.5 | 172.3 | -174.9 | -170.6 | 66.7 | 81.8 | -3.7 | 111.2 | E202 P242 E243 L244 W249 K250 | E202-R246 IonicContact OE1-NH1 3.81Å; E202-R246 IonicContact OE2-CZ 2.89Å; E202-R246 IonicContact OE2-NH1 3.95Å; E202-R246 IonicContact OE2-NH2 3.96Å; E202-R246 PolarHBondContact OE2-NH2 3.37Å; P242-R246 PolarHBondContact O-N 2.78Å; E243-R246 WeakPolarHBondContact O-CB 3.32Å; E243-R246 PolarHBondContact O-N 3.1Å; L244-R246 PolarHBondContact O-N 3.34Å; R246-W249 PolarHBondContact O-N 2.83Å; R246-K250 WeakPolarHBondContact O-CB 3.44Å; R246-K250 PolarHBondContact O-N 2.54Å |
| 247 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.4 | -37.3 | 178.7 | -67.1 | 175.1 | 0 | 0 | 0 | 112.5 | L201 E202 L205 E243 L244 L245 W249 K250 Y251 | L201-L247 HydrophobicContact CB-CD1 4.39Å; L201-L247 HydrophobicContact CD2-CD1 3.78Å; L201-L247 HydrophobicContact CG-CD1 3.96Å; E202-L247 HydrophobicContact CB-CD1 4.38Å; E202-L247 HydrophobicContact CB-CD2 3.77Å; E202-L247 HydrophobicContact CG-CD2 3.85Å; L205-L247 HydrophobicContact CD1-CB 4.07Å; L205-L247 HydrophobicContact CD1-CD1 4.35Å; L205-L247 HydrophobicContact CD1-CD2 4.41Å; E243-L247 WeakPolarHBondContact O-CG 3.17Å; E243-L247 PolarHBondContact O-N 2.75Å; L244-L247 CarbonylContact O-C 3.49Å; L244-L247 PolarHBondContact O-N 3.09Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 2.91Å; L247-W249 VanDerWaalsContact C-N 3.31Å; L247-W249 PolarHBondContact O-N 3.01Å; L247-K250 PolarHBondContact O-N 2.81Å; L247-Y251 HydrophobicContact CD2-CD2 4.04Å; L247-Y251 HydrophobicContact CD2-CE2 3.7Å; L247-Y251 PolarHBondContact O-N 3.4Å |
| 248 | K | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -49.5 | -53.8 | 172.5 | -172 | -164.4 | 159.3 | 117.7 | 0 | 110.8 | L244 L245 K252 V253 I255 E283 D285 | L244-K248 WeakPolarHBondContact O-CB 3.26Å; L244-K248 PolarHBondContact O-N 2.73Å; L245-K248 HydrophobicContact CD2-CD 4.31Å; L245-K248 VanDerWaalsContact O-CB 3.28Å; L245-K248 WeakPolarHBondContact O-CB 3.18Å; L245-K248 PolarHBondContact O-N 3.26Å; K248-K252 WeakPolarHBondContact O-CA 3.49Å; K248-K252 PolarHBondContact O-N 2.89Å; K248-V253 HydrophobicContact CB-CG2 4.44Å; K248-V253 WeakPolarHBondContact CG-O 3.39Å; K248-V253 PolarHBondContact O-N 3.43Å; K248-I255 HydrophobicContact CB-CD1 3.67Å; K248-I255 HydrophobicContact CB-CG1 4.22Å; K248-I255 HydrophobicContact CD-CD1 4.11Å; K248-I255 HydrophobicContact CD-CG1 4.37Å; K248-I255 HydrophobicContact CG-CD1 4.06Å; K248-I255 HydrophobicContact CG-CG1 4.18Å; K248-E283 VanDerWaalsContact CD-O 3.26Å; K248-E283 WeakPolarHBondContact CD-O 3.36Å; K248-E283 VanDerWaalsContact CE-O 3.27Å; K248-E283 WeakPolarHBondContact CE-O 3.49Å; K248-E283 PolarHBondContact NZ-O 3.05Å; K248-D285 IonicContact NZ-OD1 3.11Å; K248-D285 PolarHBondContact NZ-OD1 3.13Å; K248-D285 VanDerWaalsContact NZ-OD1 3.07Å; K248-D285 IonicContact NZ-OD2 3.66Å; K248-D285 PolarHBondContact NZ-OD2 2.95Å |
| 249 | W | 98.1 | Very high | 98.6 | Very high | 130 Ų | 130 | 40.9 Ų | 40.9 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.6 | -34.2 | -176.5 | -69.2 | 118.3 | 0 | 0 | 0 | 113.4 | L245 R246 L247 K252 E283 | L245-W249 PolarHBondContact O-N 3.08Å; L245-W249 VanDerWaalsContact O-N 3.16Å; R246-W249 PolarHBondContact O-N 2.83Å; L247-W249 VanDerWaalsContact C-N 3.31Å; L247-W249 PolarHBondContact O-N 3.01Å; W249-K252 WeakPolarHBondContact O-CD 3.37Å; W249-K252 VanDerWaalsContact O-CE 3.3Å; W249-K252 WeakPolarHBondContact O-CE 3.31Å; W249-K252 PolarHBondContact O-NZ 2.84Å; W249-E283 HydrophobicContact CZ2-CG 4.35Å; W249-E283 PolarHBondContact NE1-OE1 2.69Å |
| 250 | K | 98.7 | Very high | 98.6 | Very high | 117 Ų | 117 | 41.4 Ų | 41.4 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 177.1 | -175.8 | 172.1 | 176.4 | -178.4 | 0 | 112.2 | E202 R246 L247 | E202-K250 WeakPolarHBondContact OE1-CE 3.07Å; E202-K250 IonicContact OE1-NZ 2.92Å; E202-K250 PolarHBondContact OE1-NZ 3.47Å; R246-K250 WeakPolarHBondContact O-CB 3.44Å; R246-K250 PolarHBondContact O-N 2.54Å; L247-K250 PolarHBondContact O-N 2.81Å |
| 251 | Y | 98.5 | Very high | 98.6 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 15% | 0.153 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -108.3 | 2.6 | -173.3 | -62.9 | -79.1 | 0 | 0 | 0 | 114.7 | E202 L205 M206 A209 L247 V253 | E202-Y251 HydrophobicContact CG-CE2 3.97Å; E202-Y251 WeakPolarHBondContact CG-OH 3.21Å; E202-Y251 PolarHBondContact OE1-OH 3.06Å; E202-Y251 VanDerWaalsContact OE1-OH 3.07Å; L205-Y251 HydrophobicContact CB-CD1 3.93Å; L205-Y251 HydrophobicContact CB-CD2 3.82Å; L205-Y251 HydrophobicContact CB-CE1 4.16Å; L205-Y251 HydrophobicContact CB-CE2 4.04Å; L205-Y251 HydrophobicContact CB-CG 3.75Å; L205-Y251 HydrophobicContact CD1-CD2 3.66Å; L205-Y251 HydrophobicContact CD1-CE2 4.23Å; L205-Y251 HydrophobicContact CD1-CG 4.14Å; L205-Y251 HydrophobicContact CD2-CG 4.46Å; L205-Y251 HydrophobicContact CG-CD2 4.28Å; L205-Y251 HydrophobicContact CG-CG 4.35Å; M206-Y251 HydrophobicContact CG-CE1 4.11Å; M206-Y251 WeakPolarHBondContact CG-OH 3.41Å; A209-Y251 HydrophobicContact CB-CD1 4.43Å; L247-Y251 HydrophobicContact CD2-CD2 4.04Å; L247-Y251 HydrophobicContact CD2-CE2 3.7Å; L247-Y251 PolarHBondContact O-N 3.4Å; Y251-V253 PolarHBondContact O-N 2.92Å |
| 252 | K | 97.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 40.3 Ų | 40.3 | 62% | 0.622 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 47.5 | 177.9 | -51.4 | -56.1 | -177.3 | -161.3 | 0 | 112.9 | K248 W249 | K248-K252 WeakPolarHBondContact O-CA 3.49Å; K248-K252 PolarHBondContact O-N 2.89Å; W249-K252 WeakPolarHBondContact O-CD 3.37Å; W249-K252 VanDerWaalsContact O-CE 3.3Å; W249-K252 WeakPolarHBondContact O-CE 3.31Å; W249-K252 PolarHBondContact O-NZ 2.84Å |
| 253 | V | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | trans | -96.2 | 164.1 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 111 | L205 R224 V226 K248 Y251 | L205-V253 HydrophobicContact CD2-CG1 3.63Å; R224-V253 HydrophobicContact CB-CB 4.23Å; R224-V253 HydrophobicContact CB-CG1 3.63Å; V226-V253 HydrophobicContact CG2-CB 4.29Å; V226-V253 HydrophobicContact CG2-CG2 3.69Å; K248-V253 HydrophobicContact CB-CG2 4.44Å; K248-V253 WeakPolarHBondContact CG-O 3.39Å; K248-V253 PolarHBondContact O-N 3.43Å; Y251-V253 PolarHBondContact O-N 2.92Å | ||
| 254 | R | 98.3 | Very high | 98.5 | Very high | 105 Ų | 105 | 34 Ų | 34 | 40% | 0.396 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.8 | 170.3 | -69.7 | 169.9 | -179.6 | 73.8 | 1.7 | 109.9 | R224 F225 V226 D285 | R224-R254 PolarHBondContact O-N 3.02Å; F225-R254 CarbonylContact C-O 3.51Å; F225-R254 VanDerWaalsContact CA-O 3.25Å; F225-R254 WeakPolarHBondContact CA-O 3.17Å; F225-R254 HydrophobicContact CD1-CB 3.76Å; F225-R254 HydrophobicContact CE1-CB 4.14Å; F225-R254 HydrophobicContact CE1-CG 4.5Å; V226-R254 PolarHBondContact N-O 3.27Å; R254-D285 VanDerWaalsContact C-OD2 3.28Å; R254-D285 WeakPolarHBondContact CA-OD2 3.38Å; R254-D285 HydrophobicContact CB-CB 4.13Å; R254-D285 WeakPolarHBondContact CB-OD2 3.27Å; R254-D285 HydrophobicContact CG-CB 4.4Å |
| 255 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.1 | 177.9 | -68.4 | 176.1 | 0 | 0 | 0 | 109.3 | V226 L244 L245 K248 I257 D285 M286 | V226-I255 HydrophobicContact CB-CG1 4.17Å; V226-I255 WeakPolarHBondContact O-CA 3.38Å; L244-I255 HydrophobicContact CB-CD1 3.92Å; L244-I255 WeakPolarHBondContact O-CD1 3.5Å; L245-I255 HydrophobicContact CD2-CD1 4.08Å; K248-I255 HydrophobicContact CB-CD1 3.67Å; K248-I255 HydrophobicContact CB-CG1 4.22Å; K248-I255 HydrophobicContact CD-CD1 4.11Å; K248-I255 HydrophobicContact CD-CG1 4.37Å; K248-I255 HydrophobicContact CG-CD1 4.06Å; K248-I255 HydrophobicContact CG-CG1 4.18Å; I255-I257 HydrophobicContact CG2-CD1 4.12Å; I255-I257 HydrophobicContact CG2-CG1 3.69Å; I255-D285 PolarHBondContact N-OD2 3.01Å; I255-D285 PolarHBondContact O-N 3.35Å; I255-M286 PolarHBondContact O-N 3.08Å |
| 256 | F | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.5 | 168.1 | -66.4 | -3.7 | 0 | 0 | 0 | 108.9 | Y162 F225 V226 I227 V228 D285 M286 | Y162-F256 AromaticContact CD2-CE2 3.77Å; Y162-F256 HydrophobicContact CD2-CE2 3.77Å; Y162-F256 AromaticContact CD2-CZ 3.56Å; Y162-F256 HydrophobicContact CD2-CZ 3.56Å; Y162-F256 HydrophobicContact CE2-CZ 4.31Å; Y162-F256 HydrophobicContact CG-CE2 4.2Å; Y162-F256 AromaticContact CG-CZ 3.72Å; Y162-F256 HydrophobicContact CG-CZ 3.72Å; F225-F256 AromaticContact CD1-CE1 3.98Å; F225-F256 HydrophobicContact CD1-CE1 3.98Å; F225-F256 AromaticContact CD1-CE2 3.92Å; F225-F256 HydrophobicContact CD1-CE2 3.92Å; F225-F256 AromaticContact CD1-CZ 3.63Å; F225-F256 HydrophobicContact CD1-CZ 3.63Å; F225-F256 HydrophobicContact CE1-CE1 4.15Å; F225-F256 HydrophobicContact CE1-CE2 4.15Å; F225-F256 AromaticContact CE1-CZ 3.6Å; F225-F256 HydrophobicContact CE1-CZ 3.6Å; V226-F256 PolarHBondContact O-N 3.13Å; I227-F256 WeakPolarHBondContact CA-O 3.29Å; I227-F256 HydrophobicContact CD1-CD2 4.14Å; I227-F256 HydrophobicContact CG1-CB 4.15Å; I227-F256 HydrophobicContact CG1-CD2 4.34Å; I227-F256 HydrophobicContact CG2-CB 4.48Å; V228-F256 PolarHBondContact N-O 3.47Å; F256-D285 HydrophobicContact CD1-CB 4.31Å; F256-D285 HydrophobicContact CE1-CB 4.11Å; F256-M286 WeakPolarHBondContact CA-O 3.09Å; F256-M286 HydrophobicContact CB-CE 3.8Å; F256-M286 HydrophobicContact CD1-CB 3.39Å; F256-M286 HydrophobicContact CD1-CE 4.28Å; F256-M286 HydrophobicContact CD1-CG 4.49Å; F256-M286 HydrophobicContact CD1-SD 4.45Å; F256-M286 HydrophobicContact CD2-CE 3.47Å; F256-M286 VanDerWaalsContact CD2-CE 3.47Å; F256-M286 HydrophobicContact CD2-SD 4.02Å; F256-M286 HydrophobicContact CE1-CB 3.52Å; F256-M286 HydrophobicContact CE1-SD 4.41Å; F256-M286 HydrophobicContact CE2-CE 4.03Å; F256-M286 HydrophobicContact CE2-SD 3.96Å; F256-M286 HydrophobicContact CG-CB 3.97Å; F256-M286 HydrophobicContact CG-CE 3.61Å; F256-M286 HydrophobicContact CG-SD 4.26Å; F256-M286 HydrophobicContact CZ-CB 4.17Å; F256-M286 HydrophobicContact CZ-SD 4.16Å |
| 257 | I | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.7 | 178.9 | -53.1 | -178.3 | 0 | 0 | 0 | 108.6 | V228 L241 I255 E259 V273 V274 V284 M286 I287 S288 | V228-I257 HydrophobicContact CG2-CG1 4.09Å; V228-I257 WeakPolarHBondContact O-CA 3.2Å; L241-I257 HydrophobicContact CD1-CD1 3.67Å; I255-I257 HydrophobicContact CG2-CD1 4.12Å; I255-I257 HydrophobicContact CG2-CG1 3.69Å; I257-E259 HydrophobicContact CG2-CG 4.06Å; I257-V273 HydrophobicContact CD1-CG1 4.03Å; I257-V273 HydrophobicContact CG2-CG1 3.9Å; I257-V274 HydrophobicContact CD1-CG2 4.41Å; I257-V284 HydrophobicContact CB-CG1 4.39Å; I257-V284 HydrophobicContact CD1-CB 4.45Å; I257-V284 HydrophobicContact CD1-CG1 3.84Å; I257-V284 HydrophobicContact CD1-CG2 3.69Å; I257-V284 HydrophobicContact CG1-CG1 3.83Å; I257-M286 PolarHBondContact N-O 3.14Å; I257-M286 VanDerWaalsContact N-O 3.09Å; I257-I287 WeakPolarHBondContact O-CA 3.47Å; I257-S288 PolarHBondContact O-N 3.45Å |
| 258 | D | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.9 | 164.5 | -161.8 | -37.4 | 0 | 0 | 0 | 109.5 | V155 H176 I179 V228 E229 G230 S260 S288 | V155-D258 VanDerWaalsContact CB-OD2 3.3Å; V155-D258 WeakPolarHBondContact CB-OD2 3.46Å; V155-D258 WeakPolarHBondContact CG1-OD2 3.15Å; V155-D258 WeakPolarHBondContact CG2-OD2 3.38Å; H176-D258 IonicContact CE1-OD2 2.6Å; H176-D258 IonicContact NE2-OD2 3.69Å; H176-D258 PolarHBondContact NE2-OD2 2.88Å; I179-D258 HydrophobicContact CD1-CB 3.92Å; V228-D258 PolarHBondContact O-N 2.89Å; E229-D258 CarbonylContact C-O 3.6Å; E229-D258 WeakPolarHBondContact CA-O 3.33Å; E229-D258 HydrophobicContact CG-CB 4.34Å; G230-D258 PolarHBondContact N-O 2.75Å; D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 WeakPolarHBondContact OD1-CB 3.41Å; D258-S260 PolarHBondContact OD1-N 3.45Å; D258-S260 PolarHBondContact OD1-OG 3.32Å; D258-S288 CarbonylContact C-O 3.4Å; D258-S288 WeakPolarHBondContact CA-O 3.25Å |
| 259 | E | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -90.5 | 11.3 | -179.8 | -65.8 | -86.4 | -159.6 | 0 | 0 | 112 | I257 V261 S262 F263 G272 V273 I287 S288 | I257-E259 HydrophobicContact CG2-CG 4.06Å; E259-V261 PolarHBondContact O-N 2.98Å; E259-S262 VanDerWaalsContact CA-OG 3.29Å; E259-S262 WeakPolarHBondContact CA-OG 3.28Å; E259-S262 PolarHBondContact O-N 3.25Å; E259-S262 PolarHBondContact O-OG 3.39Å; E259-S262 WeakPolarHBondContact OE2-CB 3.32Å; E259-S262 PolarHBondContact OE2-OG 3.02Å; E259-F263 HydrophobicContact CB-CB 4.43Å; E259-F263 VanDerWaalsContact O-CB 3.28Å; E259-F263 WeakPolarHBondContact O-CB 3.28Å; E259-F263 PolarHBondContact O-N 2.94Å; E259-G272 WeakPolarHBondContact OE2-CA 3.27Å; E259-V273 WeakPolarHBondContact OE1-CG1 3.44Å; E259-V273 PolarHBondContact OE1-N 2.76Å; E259-V273 PolarHBondContact OE2-N 2.75Å; E259-I287 HydrophobicContact CB-CG2 4.21Å; E259-I287 HydrophobicContact CG-CG2 3.61Å; E259-S288 PolarHBondContact N-O 3.01Å | ||
| 260 | S | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -38.6 | -172.3 | -68.6 | 0 | 0 | 0 | 0 | 114.1 | D258 S290 N293 | D258-S260 VanDerWaalsContact C-N 3.32Å; D258-S260 WeakPolarHBondContact OD1-CB 3.41Å; D258-S260 PolarHBondContact OD1-N 3.45Å; D258-S260 PolarHBondContact OD1-OG 3.32Å; S260-S290 WeakPolarHBondContact OG-CB 3.3Å; S260-S290 PolarHBondContact OG-N 3.39Å; S260-N293 PolarHBondContact O-ND2 3.39Å |
| 261 | V | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -28.6 | 179.3 | -178 | 0 | 0 | 0 | 0 | 112.2 | F92 I231 L233 E259 V265 L377 | F92-V261 HydrophobicContact CE2-CG1 4.18Å; F92-V261 HydrophobicContact CZ-CG1 4.18Å; I231-V261 HydrophobicContact CB-CB 3.96Å; I231-V261 HydrophobicContact CB-CG1 3.76Å; I231-V261 HydrophobicContact CD1-CG1 4.22Å; I231-V261 HydrophobicContact CG2-CB 4.25Å; I231-V261 HydrophobicContact CG2-CG1 3.62Å; L233-V261 HydrophobicContact CB-CG2 4.3Å; L233-V261 HydrophobicContact CD1-CG2 4.15Å; E259-V261 PolarHBondContact O-N 2.98Å; V261-V265 VanDerWaalsContact O-CG2 3.31Å; V261-V265 WeakPolarHBondContact O-CG2 3.17Å; V261-L377 HydrophobicContact CG1-CB 4.25Å; V261-L377 HydrophobicContact CG1-CD2 3.78Å; V261-L377 HydrophobicContact CG2-CD2 4.48Å |
| 262 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -19.9 | -175.1 | 38.4 | 0 | 0 | 0 | 0 | 114.5 | E259 G264 V265 L266 | E259-S262 VanDerWaalsContact CA-OG 3.29Å; E259-S262 WeakPolarHBondContact CA-OG 3.28Å; E259-S262 PolarHBondContact O-N 3.25Å; E259-S262 PolarHBondContact O-OG 3.39Å; E259-S262 WeakPolarHBondContact OE2-CB 3.32Å; E259-S262 PolarHBondContact OE2-OG 3.02Å; S262-G264 PolarHBondContact O-N 2.85Å; S262-V265 WeakPolarHBondContact O-CB 3.3Å; S262-V265 PolarHBondContact O-N 3.22Å; S262-L266 PolarHBondContact O-N 3.43Å |
| 263 | F | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 129.2 | 171.1 | -179.6 | -96.3 | 0 | 0 | 0 | 110.3 | L136 F139 M140 E259 V265 S289 L291 A294 N295 F301 L337 M340 | L136-F263 HydrophobicContact CD2-CE2 4.41Å; L136-F263 HydrophobicContact CD2-CZ 4.01Å; F139-F263 AromaticContact CD1-CE2 3.67Å; F139-F263 HydrophobicContact CD1-CE2 3.67Å; F139-F263 HydrophobicContact CD1-CZ 4.15Å; F139-F263 HydrophobicContact CE1-CD2 4.21Å; F139-F263 AromaticContact CE1-CE2 3.5Å; F139-F263 HydrophobicContact CE1-CE2 3.5Å; F139-F263 VanDerWaalsContact CE1-CE2 3.5Å; F139-F263 AromaticContact CE1-CZ 3.98Å; F139-F263 HydrophobicContact CE1-CZ 3.98Å; M140-F263 HydrophobicContact SD-CD2 3.77Å; M140-F263 HydrophobicContact SD-CE2 3.68Å; E259-F263 HydrophobicContact CB-CB 4.43Å; E259-F263 VanDerWaalsContact O-CB 3.28Å; E259-F263 WeakPolarHBondContact O-CB 3.28Å; E259-F263 PolarHBondContact O-N 2.94Å; F263-V265 PolarHBondContact O-N 3.02Å; F263-S289 VanDerWaalsContact CB-OG 3.3Å; F263-S289 WeakPolarHBondContact CB-OG 3.38Å; F263-L291 HydrophobicContact CE1-CD2 4.46Å; F263-A294 WeakPolarHBondContact O-CB 3.47Å; F263-N295 HydrophobicContact CE1-CB 4.3Å; F263-F301 HydrophobicContact CD2-CE1 4.13Å; F263-F301 AromaticContact CD2-CZ 3.72Å; F263-F301 HydrophobicContact CD2-CZ 3.72Å; F263-F301 HydrophobicContact CE1-CE1 4.36Å; F263-F301 AromaticContact CE2-CE1 3.91Å; F263-F301 HydrophobicContact CE2-CE1 3.91Å; F263-F301 AromaticContact CE2-CZ 3.59Å; F263-F301 HydrophobicContact CE2-CZ 3.59Å; F263-F301 HydrophobicContact CG-CE1 4.42Å; F263-F301 HydrophobicContact CG-CZ 4.39Å; F263-F301 HydrophobicContact CZ-CE1 4.04Å; F263-F301 HydrophobicContact CZ-CZ 4.18Å; F263-L337 HydrophobicContact CZ-CD1 4.13Å; F263-M340 HydrophobicContact CE1-CE 4.29Å; F263-M340 HydrophobicContact CE1-SD 4.31Å |
| 264 | G | 98 | Very high | 98.2 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 8.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S262 G270 L347 | S262-G264 PolarHBondContact O-N 2.85Å; G264-G270 VanDerWaalsContact CA-O 3.32Å; G264-G270 WeakPolarHBondContact CA-O 3.28Å; G264-G270 PolarHBondContact N-O 3.5Å; G264-L347 WeakPolarHBondContact O-CD1 3.42Å |
| 265 | V | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -53.1 | -171.8 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | F92 I231 V261 S262 F263 L350 R351 P376 | F92-V265 HydrophobicContact CB-CG2 4.4Å; F92-V265 HydrophobicContact CD2-CG2 3.57Å; F92-V265 HydrophobicContact CE2-CG2 4.13Å; F92-V265 HydrophobicContact CG-CG2 4.25Å; I231-V265 HydrophobicContact CD1-CG1 3.96Å; V261-V265 VanDerWaalsContact O-CG2 3.31Å; V261-V265 WeakPolarHBondContact O-CG2 3.17Å; S262-V265 WeakPolarHBondContact O-CB 3.3Å; S262-V265 PolarHBondContact O-N 3.22Å; F263-V265 PolarHBondContact O-N 3.02Å; V265-L350 HydrophobicContact CG2-CD2 4.18Å; V265-R351 PolarHBondContact O-NH2 2.87Å; V265-P376 HydrophobicContact CG1-CG 3.99Å; V265-P376 HydrophobicContact CG2-CG 3.98Å |
| 266 | L | 98.1 | Very high | 98.1 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -98.1 | 152.3 | -174.9 | -69.9 | -168.8 | 0 | 0 | 0 | 112.5 | I231 I238 S262 G270 R271 G272 V273 Y276 | I231-L266 HydrophobicContact CD1-CD1 3.78Å; I231-L266 HydrophobicContact CD1-CD2 4.07Å; I231-L266 HydrophobicContact CD1-CG 3.69Å; I231-L266 HydrophobicContact CG1-CD1 3.68Å; I231-L266 HydrophobicContact CG1-CG 4.19Å; I238-L266 HydrophobicContact CD1-CD1 3.76Å; I238-L266 HydrophobicContact CD1-CD2 3.91Å; I238-L266 HydrophobicContact CG1-CD1 3.98Å; I238-L266 HydrophobicContact CG2-CD1 4.13Å; S262-L266 PolarHBondContact O-N 3.43Å; L266-G270 CarbonylContact O-C 3.43Å; L266-G270 WeakPolarHBondContact O-CA 3.35Å; L266-R271 PolarHBondContact O-N 3.43Å; L266-R271 VanDerWaalsContact O-N 3.16Å; L266-G272 CarbonylContact C-O 3.48Å; L266-G272 PolarHBondContact O-N 2.93Å; L266-V273 HydrophobicContact CD1-CB 4.27Å; L266-V273 HydrophobicContact CD1-CG2 4.5Å; L266-Y276 HydrophobicContact CD2-CD2 4.05Å; L266-Y276 HydrophobicContact CD2-CE2 4.37Å |
| 267 | G | 96.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 80.9 | 155.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T269 G270 E275 R351 | G267-T269 PolarHBondContact O-N 2.91Å; G267-G270 PolarHBondContact O-N 3.4Å; G267-E275 WeakPolarHBondContact CA-OE2 3.02Å; G267-R351 PolarHBondContact O-NH1 3.49Å; G267-R351 PolarHBondContact O-NH2 3.35Å |
| 268 | R | 96 | Very high | 98.1 | Very high | 219 Ų | 219 | 37.4 Ų | 37.4 | 83% | 0.826 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.9 | -41.4 | -171 | -176.6 | 178.6 | 176.4 | -179.4 | -1.1 | 114.1 | E275 | R268-E275 VanDerWaalsContact N-CD 3.27Å; R268-E275 PolarHBondContact N-OE2 3.43Å |
| 269 | T | 96.9 | Very high | 98.1 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 34% | 0.344 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 5.9 | -177.8 | 61 | 0 | 0 | 0 | 0 | 114 | F139 G267 R271 E275 | F139-T269 WeakPolarHBondContact CZ-O 3.48Å; G267-T269 PolarHBondContact O-N 2.91Å; T269-R271 WeakPolarHBondContact OG1-CD 3.46Å; T269-R271 WeakPolarHBondContact OG1-CG 3.31Å; T269-R271 PolarHBondContact OG1-NE 2.82Å; T269-E275 WeakPolarHBondContact CB-OE1 3.4Å; T269-E275 VanDerWaalsContact N-CD 3.29Å; T269-E275 PolarHBondContact N-OE1 2.98Å; T269-E275 PolarHBondContact N-OE2 3.39Å; T269-E275 VanDerWaalsContact OG1-CD 3.31Å; T269-E275 PolarHBondContact OG1-OE1 2.93Å; T269-E275 PolarHBondContact OG1-OE2 3.47Å |
| 270 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 85.4 | 23.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G264 L266 G267 G272 E275 | G264-G270 VanDerWaalsContact CA-O 3.32Å; G264-G270 WeakPolarHBondContact CA-O 3.28Å; G264-G270 PolarHBondContact N-O 3.5Å; L266-G270 CarbonylContact O-C 3.43Å; L266-G270 WeakPolarHBondContact O-CA 3.35Å; G267-G270 PolarHBondContact O-N 3.4Å; G270-G272 VanDerWaalsContact C-N 3.3Å; G270-G272 PolarHBondContact O-N 2.88Å; G270-E275 PolarHBondContact N-OE2 3.13Å |
| 271 | R | 97.6 | Very high | 97.9 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | trans | -78.6 | -13.8 | -177.4 | -64.7 | 172.9 | -170.5 | -146.2 | -10.2 | 113.8 | F139 M140 L266 T269 E275 | F139-R271 HydrophobicContact CD1-CG 4.27Å; F139-R271 HydrophobicContact CE1-CB 4.46Å; F139-R271 HydrophobicContact CE1-CG 3.88Å; F139-R271 HydrophobicContact CE2-CG 4.38Å; F139-R271 HydrophobicContact CZ-CG 3.95Å; F139-R271 WeakPolarHBondContact O-CD 3.46Å; F139-R271 WeakPolarHBondContact O-CG 3.42Å; F139-R271 PolarHBondContact O-NE 3.05Å; F139-R271 PolarHBondContact O-NH1 2.85Å; F139-R271 PolarHBondContact O-NH2 3.43Å; M140-R271 WeakPolarHBondContact CE-O 3.28Å; M140-R271 HydrophobicContact SD-CB 4.45Å; L266-R271 PolarHBondContact O-N 3.43Å; L266-R271 VanDerWaalsContact O-N 3.16Å; T269-R271 WeakPolarHBondContact OG1-CD 3.46Å; T269-R271 WeakPolarHBondContact OG1-CG 3.31Å; T269-R271 PolarHBondContact OG1-NE 2.82Å; R271-E275 HydrophobicContact CB-CB 4.02Å; R271-E275 PolarHBondContact N-OE2 2.78Å; R271-E275 IonicContact NE-OE1 3.68Å | ||
| 272 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | 119.6 | -165.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | E259 L266 G270 V274 E275 Y276 | E259-G272 WeakPolarHBondContact OE2-CA 3.27Å; L266-G272 CarbonylContact C-O 3.48Å; L266-G272 PolarHBondContact O-N 2.93Å; G270-G272 VanDerWaalsContact C-N 3.3Å; G270-G272 PolarHBondContact O-N 2.88Å; G272-V274 VanDerWaalsContact C-N 3.29Å; G272-V274 PolarHBondContact O-N 2.89Å; G272-E275 PolarHBondContact O-N 3.21Å; G272-Y276 PolarHBondContact O-N 3.21Å; G272-Y276 VanDerWaalsContact O-N 3.13Å | ||
| 273 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -29.5 | -170.5 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | I238 L241 I257 E259 L266 Y276 F277 | I238-V273 HydrophobicContact CG2-CG2 3.54Å; L241-V273 HydrophobicContact CB-CG2 4.37Å; L241-V273 HydrophobicContact CD2-CG1 4.32Å; I257-V273 HydrophobicContact CD1-CG1 4.03Å; I257-V273 HydrophobicContact CG2-CG1 3.9Å; E259-V273 WeakPolarHBondContact OE1-CG1 3.44Å; E259-V273 PolarHBondContact OE1-N 2.76Å; E259-V273 PolarHBondContact OE2-N 2.75Å; L266-V273 HydrophobicContact CD1-CB 4.27Å; L266-V273 HydrophobicContact CD1-CG2 4.5Å; V273-Y276 WeakPolarHBondContact O-CB 3.19Å; V273-Y276 PolarHBondContact O-N 3.01Å; V273-F277 HydrophobicContact CG2-CD2 3.65Å; V273-F277 HydrophobicContact CG2-CE2 3.53Å; V273-F277 WeakPolarHBondContact O-CD2 3.16Å; V273-F277 PolarHBondContact O-N 3.48Å; V273-F277 VanDerWaalsContact O-N 3.13Å |
| 274 | V | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | L241 I257 G272 Y276 N278 A279 I281 V284 I287 | L241-V274 HydrophobicContact CD2-CB 4.32Å; L241-V274 HydrophobicContact CD2-CG2 4.01Å; I257-V274 HydrophobicContact CD1-CG2 4.41Å; G272-V274 VanDerWaalsContact C-N 3.29Å; G272-V274 PolarHBondContact O-N 2.89Å; V274-Y276 VanDerWaalsContact C-N 3.32Å; V274-N278 PolarHBondContact O-N 3.48Å; V274-A279 HydrophobicContact CG1-CB 4.08Å; V274-A279 WeakPolarHBondContact CG1-O 3.43Å; V274-A279 PolarHBondContact O-N 2.99Å; V274-I281 HydrophobicContact CB-CD1 4.05Å; V274-I281 HydrophobicContact CG1-CB 4.27Å; V274-I281 HydrophobicContact CG1-CD1 3.85Å; V274-I281 HydrophobicContact CG2-CD1 4.08Å; V274-V284 HydrophobicContact CG2-CG2 3.72Å; V274-I287 HydrophobicContact CG2-CD1 4.47Å |
| 275 | E | 98.5 | Very high | 97.7 | Very high | 47 Ų | 47 | 51.7 Ų | 51.7 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -33.7 | 177.2 | -176.3 | -173 | -146.2 | 0 | 0 | 111.1 | G267 R268 T269 G270 R271 G272 F277 N278 | G267-E275 WeakPolarHBondContact CA-OE2 3.02Å; R268-E275 VanDerWaalsContact N-CD 3.27Å; R268-E275 PolarHBondContact N-OE2 3.43Å; T269-E275 WeakPolarHBondContact CB-OE1 3.4Å; T269-E275 VanDerWaalsContact N-CD 3.29Å; T269-E275 PolarHBondContact N-OE1 2.98Å; T269-E275 PolarHBondContact N-OE2 3.39Å; T269-E275 VanDerWaalsContact OG1-CD 3.31Å; T269-E275 PolarHBondContact OG1-OE1 2.93Å; T269-E275 PolarHBondContact OG1-OE2 3.47Å; G270-E275 PolarHBondContact N-OE2 3.13Å; R271-E275 HydrophobicContact CB-CB 4.02Å; R271-E275 PolarHBondContact N-OE2 2.78Å; R271-E275 IonicContact NE-OE1 3.68Å; G272-E275 PolarHBondContact O-N 3.21Å; E275-F277 PolarHBondContact O-N 2.92Å; E275-N278 PolarHBondContact O-N 3.2Å; E275-N278 VanDerWaalsContact O-N 3.1Å |
| 276 | Y | 98.5 | Very high | 97.6 | Very high | 117 Ų | 117 | 51.8 Ų | 51.8 | 46% | 0.459 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 176.8 | 179.2 | -97.2 | 0 | 0 | 0 | 113 | I238 L266 G272 V273 V274 N278 | I238-Y276 HydrophobicContact CD1-CD1 4.43Å; I238-Y276 HydrophobicContact CD1-CE1 3.96Å; I238-Y276 HydrophobicContact CD1-CE2 4.36Å; L266-Y276 HydrophobicContact CD2-CD2 4.05Å; L266-Y276 HydrophobicContact CD2-CE2 4.37Å; G272-Y276 PolarHBondContact O-N 3.21Å; G272-Y276 VanDerWaalsContact O-N 3.13Å; V273-Y276 WeakPolarHBondContact O-CB 3.19Å; V273-Y276 PolarHBondContact O-N 3.01Å; V274-Y276 VanDerWaalsContact C-N 3.32Å; Y276-N278 VanDerWaalsContact C-N 3.31Å |
| 277 | F | 98.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4 | 176.2 | -71.5 | -70.3 | 0 | 0 | 0 | 114 | I238 C239 L241 P242 V273 E275 A279 | I238-F277 HydrophobicContact CG2-CE2 3.84Å; I238-F277 HydrophobicContact CG2-CZ 4.22Å; C239-F277 WeakPolarHBondContact O-CE2 3.44Å; L241-F277 HydrophobicContact CB-CD2 3.63Å; L241-F277 HydrophobicContact CB-CE2 3.95Å; L241-F277 HydrophobicContact CB-CG 4.42Å; L241-F277 HydrophobicContact CD2-CD2 4.27Å; P242-F277 HydrophobicContact CG-CB 4.23Å; P242-F277 HydrophobicContact CG-CD1 3.59Å; P242-F277 HydrophobicContact CG-CE1 4.01Å; P242-F277 HydrophobicContact CG-CG 3.88Å; V273-F277 HydrophobicContact CG2-CD2 3.65Å; V273-F277 HydrophobicContact CG2-CE2 3.53Å; V273-F277 WeakPolarHBondContact O-CD2 3.16Å; V273-F277 PolarHBondContact O-N 3.48Å; V273-F277 VanDerWaalsContact O-N 3.13Å; E275-F277 PolarHBondContact O-N 2.92Å; F277-A279 PolarHBondContact O-N 3.24Å |
| 278 | N | 98 | Very high | 97.7 | Very high | 151 Ų | 151 | 51.6 Ų | 51.6 | 81% | 0.807 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 36.8 | -173.3 | -168.9 | 57.2 | 0 | 0 | 0 | 112.2 | V274 E275 Y276 | V274-N278 PolarHBondContact O-N 3.48Å; E275-N278 PolarHBondContact O-N 3.2Å; E275-N278 VanDerWaalsContact O-N 3.1Å; Y276-N278 VanDerWaalsContact C-N 3.31Å |
| 279 | A | 98.1 | Very high | 97.8 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 22% | 0.223 | 21% | 0.205 | C | C | . | . | trans | -82.4 | 158.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L241 L245 V274 F277 I281 | L241-A279 HydrophobicContact CD2-CB 4.02Å; L245-A279 HydrophobicContact CD1-CB 3.8Å; V274-A279 HydrophobicContact CG1-CB 4.08Å; V274-A279 WeakPolarHBondContact CG1-O 3.43Å; V274-A279 PolarHBondContact O-N 2.99Å; F277-A279 PolarHBondContact O-N 3.24Å; A279-I281 PolarHBondContact O-N 2.92Å | ||
| 280 | N | 97.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | trans | -76.5 | 123.6 | 174.7 | -178 | 4 | 0 | 0 | 0 | 110 | D282 E283 | N280-D282 PolarHBondContact O-N 3.12Å; N280-D282 VanDerWaalsContact O-N 3.16Å; N280-D282 PolarHBondContact OD1-N 2.68Å; N280-D282 VanDerWaalsContact OD1-N 3.12Å; N280-E283 HydrophobicContact CB-CG 4.03Å; N280-E283 WeakPolarHBondContact O-CB 3.35Å; N280-E283 PolarHBondContact O-N 2.86Å | ||
| 281 | I | 97 | Very high | 97.9 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.2 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -56.1 | -30.6 | 178.7 | -165.6 | 67.1 | 0 | 0 | 0 | 113.1 | G141 T142 V274 A279 E283 V284 I287 | G141-I281 WeakPolarHBondContact O-CG2 3.45Å; T142-I281 HydrophobicContact CG2-CD1 4.42Å; T142-I281 HydrophobicContact CG2-CG1 3.77Å; V274-I281 HydrophobicContact CB-CD1 4.05Å; V274-I281 HydrophobicContact CG1-CB 4.27Å; V274-I281 HydrophobicContact CG1-CD1 3.85Å; V274-I281 HydrophobicContact CG2-CD1 4.08Å; A279-I281 PolarHBondContact O-N 2.92Å; I281-E283 PolarHBondContact O-N 3.24Å; I281-V284 PolarHBondContact O-N 3.22Å; I281-I287 HydrophobicContact CD1-CD1 3.4Å; I281-I287 HydrophobicContact CG1-CD1 4.42Å |
| 282 | D | 95.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 40% | 0.401 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -67.3 | -12.6 | 176.4 | -89.4 | -54 | 0 | 0 | 0 | 114.6 | N280 R305 | N280-D282 PolarHBondContact O-N 3.12Å; N280-D282 VanDerWaalsContact O-N 3.16Å; N280-D282 PolarHBondContact OD1-N 2.68Å; N280-D282 VanDerWaalsContact OD1-N 3.12Å; D282-R305 PolarHBondContact O-NH2 2.81Å; D282-R305 IonicContact OD1-CZ 3.08Å; D282-R305 IonicContact OD1-NE 3.89Å; D282-R305 PolarHBondContact OD1-NE 2.97Å; D282-R305 VanDerWaalsContact OD1-NE 3.1Å; D282-R305 IonicContact OD1-NH2 3.26Å; D282-R305 PolarHBondContact OD1-NH2 3.46Å |
| 283 | E | 96.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -85.5 | -11 | 177 | -59.6 | -173.5 | 85.5 | 0 | 0 | 112.8 | L245 K248 W249 N280 I281 | L245-E283 HydrophobicContact CD1-CB 4.39Å; L245-E283 HydrophobicContact CD2-CB 3.62Å; K248-E283 VanDerWaalsContact CD-O 3.26Å; K248-E283 WeakPolarHBondContact CD-O 3.36Å; K248-E283 VanDerWaalsContact CE-O 3.27Å; K248-E283 WeakPolarHBondContact CE-O 3.49Å; K248-E283 PolarHBondContact NZ-O 3.05Å; W249-E283 HydrophobicContact CZ2-CG 4.35Å; W249-E283 PolarHBondContact NE1-OE1 2.69Å; N280-E283 HydrophobicContact CB-CG 4.03Å; N280-E283 WeakPolarHBondContact O-CB 3.35Å; N280-E283 PolarHBondContact O-N 2.86Å; I281-E283 PolarHBondContact O-N 3.24Å |
| 284 | V | 98.1 | Very high | 97.8 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | trans | -99.2 | 127.5 | 173 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | L241 I257 V274 I281 I287 | L241-V284 HydrophobicContact CD1-CG2 4.44Å; I257-V284 HydrophobicContact CB-CG1 4.39Å; I257-V284 HydrophobicContact CD1-CB 4.45Å; I257-V284 HydrophobicContact CD1-CG1 3.84Å; I257-V284 HydrophobicContact CD1-CG2 3.69Å; I257-V284 HydrophobicContact CG1-CG1 3.83Å; V274-V284 HydrophobicContact CG2-CG2 3.72Å; I281-V284 PolarHBondContact O-N 3.22Å; V284-I287 HydrophobicContact CB-CG1 4.42Å; V284-I287 HydrophobicContact CG1-CD1 4.33Å; V284-I287 HydrophobicContact CG1-CG1 3.71Å | ||
| 285 | D | 97.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -82.2 | -29.3 | -170.5 | -57.4 | -86.4 | 0 | 0 | 0 | 113.2 | K248 R254 I255 F256 V308 | K248-D285 IonicContact NZ-OD1 3.11Å; K248-D285 PolarHBondContact NZ-OD1 3.13Å; K248-D285 VanDerWaalsContact NZ-OD1 3.07Å; K248-D285 IonicContact NZ-OD2 3.66Å; K248-D285 PolarHBondContact NZ-OD2 2.95Å; R254-D285 VanDerWaalsContact C-OD2 3.28Å; R254-D285 WeakPolarHBondContact CA-OD2 3.38Å; R254-D285 HydrophobicContact CB-CB 4.13Å; R254-D285 WeakPolarHBondContact CB-OD2 3.27Å; R254-D285 HydrophobicContact CG-CB 4.4Å; I255-D285 PolarHBondContact N-OD2 3.01Å; I255-D285 PolarHBondContact O-N 3.35Å; F256-D285 HydrophobicContact CD1-CB 4.31Å; F256-D285 HydrophobicContact CE1-CB 4.11Å; D285-V308 WeakPolarHBondContact O-CG1 3.43Å |
| 286 | M | 96.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 129 | 176.1 | -176.1 | -162.5 | 80.4 | 0 | 0 | 109.3 | A158 Y162 I255 F256 I257 V308 Q312 | A158-M286 HydrophobicContact CB-CE 4.18Å; A158-M286 HydrophobicContact CB-SD 3.91Å; Y162-M286 HydrophobicContact CD2-SD 3.83Å; Y162-M286 HydrophobicContact CE2-CG 4.24Å; Y162-M286 HydrophobicContact CE2-SD 3.43Å; Y162-M286 WeakPolarHBondContact CE2-SD 3.48Å; I255-M286 PolarHBondContact O-N 3.08Å; F256-M286 WeakPolarHBondContact CA-O 3.09Å; F256-M286 HydrophobicContact CB-CE 3.8Å; F256-M286 HydrophobicContact CD1-CB 3.39Å; F256-M286 HydrophobicContact CD1-CE 4.28Å; F256-M286 HydrophobicContact CD1-CG 4.49Å; F256-M286 HydrophobicContact CD1-SD 4.45Å; F256-M286 HydrophobicContact CD2-CE 3.47Å; F256-M286 VanDerWaalsContact CD2-CE 3.47Å; F256-M286 HydrophobicContact CD2-SD 4.02Å; F256-M286 HydrophobicContact CE1-CB 3.52Å; F256-M286 HydrophobicContact CE1-SD 4.41Å; F256-M286 HydrophobicContact CE2-CE 4.03Å; F256-M286 HydrophobicContact CE2-SD 3.96Å; F256-M286 HydrophobicContact CG-CB 3.97Å; F256-M286 HydrophobicContact CG-CE 3.61Å; F256-M286 HydrophobicContact CG-SD 4.26Å; F256-M286 HydrophobicContact CZ-CB 4.17Å; F256-M286 HydrophobicContact CZ-SD 4.16Å; I257-M286 PolarHBondContact N-O 3.14Å; I257-M286 VanDerWaalsContact N-O 3.09Å; M286-V308 HydrophobicContact CB-CG1 4.39Å; M286-Q312 PolarHBondContact SD-NE2 3.45Å |
| 287 | I | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138 | 168.9 | -66.5 | 166.3 | 0 | 0 | 0 | 108 | M140 I257 E259 V274 I281 V284 T302 C303 | M140-I287 HydrophobicContact CE-CD1 4.29Å; M140-I287 HydrophobicContact CE-CG2 4.02Å; I257-I287 WeakPolarHBondContact O-CA 3.47Å; E259-I287 HydrophobicContact CB-CG2 4.21Å; E259-I287 HydrophobicContact CG-CG2 3.61Å; V274-I287 HydrophobicContact CG2-CD1 4.47Å; I281-I287 HydrophobicContact CD1-CD1 3.4Å; I281-I287 HydrophobicContact CG1-CD1 4.42Å; V284-I287 HydrophobicContact CB-CG1 4.42Å; V284-I287 HydrophobicContact CG1-CD1 4.33Å; V284-I287 HydrophobicContact CG1-CG1 3.71Å; I287-T302 CarbonylContact O-C 3.57Å; I287-T302 WeakPolarHBondContact O-CA 3.36Å; I287-T302 WeakPolarHBondContact O-CB 3.04Å; I287-C303 PolarHBondContact N-O 3.01Å; I287-C303 VanDerWaalsContact N-O 3.17Å; I287-C303 PolarHBondContact O-N 2.85Å |
| 288 | S | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.5 | 170 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | T154 I257 D258 E259 F301 | T154-S288 WeakPolarHBondContact CG2-OG 3.36Å; I257-S288 PolarHBondContact O-N 3.45Å; D258-S288 CarbonylContact C-O 3.4Å; D258-S288 WeakPolarHBondContact CA-O 3.25Å; E259-S288 PolarHBondContact N-O 3.01Å; S288-F301 CarbonylContact C-O 3.56Å; S288-F301 WeakPolarHBondContact CA-O 3.5Å |
| 289 | S | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 142 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | F263 G300 F301 | F263-S289 VanDerWaalsContact CB-OG 3.3Å; F263-S289 WeakPolarHBondContact CB-OG 3.38Å; S289-G300 CarbonylContact O-C 3.59Å; S289-G300 WeakPolarHBondContact O-CA 3.48Å; S289-F301 PolarHBondContact N-O 3.31Å; S289-F301 PolarHBondContact O-N 3.32Å |
| 290 | S | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 5% | 0.049 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 150.1 | 162.5 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | S260 E292 G299 | S260-S290 WeakPolarHBondContact OG-CB 3.3Å; S260-S290 PolarHBondContact OG-N 3.39Å; S290-E292 WeakPolarHBondContact OG-CB 3.39Å; S290-E292 WeakPolarHBondContact OG-CG 3.32Å; S290-E292 PolarHBondContact OG-N 2.96Å; S290-E292 PolarHBondContact OG-OE2 3.44Å; S290-E292 VanDerWaalsContact OG-OE2 3.1Å; S290-G299 PolarHBondContact OG-O 3.34Å |
| 291 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -94.8 | 1.3 | 167.3 | -64.7 | 171.3 | 0 | 0 | 0 | 111.6 | L132 L136 L147 F263 N293 N295 G296 S297 G299 F301 A333 | L132-L291 HydrophobicContact CD2-CD1 4.33Å; L136-L291 HydrophobicContact CD2-CD2 4.47Å; L147-L291 HydrophobicContact CD1-CD1 3.69Å; F263-L291 HydrophobicContact CE1-CD2 4.46Å; L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 3.1Å; L291-N295 HydrophobicContact CB-CB 4.24Å; L291-N295 HydrophobicContact CD2-CB 3.97Å; L291-N295 WeakPolarHBondContact O-CB 3.45Å; L291-G296 PolarHBondContact O-N 2.91Å; L291-S297 PolarHBondContact O-N 3.44Å; L291-G299 PolarHBondContact N-O 3.47Å; L291-F301 HydrophobicContact CD2-CD1 3.8Å; L291-F301 HydrophobicContact CD2-CE1 3.97Å; L291-F301 HydrophobicContact CG-CD1 4.2Å; L291-A333 HydrophobicContact CD1-CB 4.17Å |
| 292 | E | 97.7 | Very high | 97.4 | Very high | 67 Ų | 67 | 16.7 Ų | 16.7 | 31% | 0.313 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -83.7 | 0.7 | -172.7 | -61.6 | 155 | 179 | 0 | 0 | 114.2 | Y150 G151 S290 S297 G299 | Y150-E292 WeakPolarHBondContact CD2-OE1 3.46Å; G151-E292 WeakPolarHBondContact CA-OE1 3.15Å; G151-E292 PolarHBondContact N-OE1 3.04Å; S290-E292 WeakPolarHBondContact OG-CB 3.39Å; S290-E292 WeakPolarHBondContact OG-CG 3.32Å; S290-E292 PolarHBondContact OG-N 2.96Å; S290-E292 PolarHBondContact OG-OE2 3.44Å; S290-E292 VanDerWaalsContact OG-OE2 3.1Å; E292-S297 VanDerWaalsContact CA-O 3.22Å; E292-S297 WeakPolarHBondContact CA-O 3.39Å; E292-G299 PolarHBondContact OE1-N 3.29Å |
| 293 | N | 97.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 6% | 0.064 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -111.4 | -109.5 | -178.7 | -60.1 | -26.4 | 0 | 0 | 0 | 110.5 | M90 F92 S260 L291 N295 G296 | M90-N293 HydrophobicContact CB-CB 4.14Å; M90-N293 WeakPolarHBondContact CB-OD1 3.39Å; M90-N293 WeakPolarHBondContact CE-OD1 3.41Å; M90-N293 CarbonylContact O-C 3.42Å; M90-N293 VanDerWaalsContact O-CA 3.25Å; M90-N293 WeakPolarHBondContact O-CA 3.42Å; F92-N293 HydrophobicContact CD2-CB 4.36Å; F92-N293 HydrophobicContact CE2-CB 4.07Å; S260-N293 PolarHBondContact O-ND2 3.39Å; L291-N293 VanDerWaalsContact C-N 3.27Å; L291-N293 PolarHBondContact O-N 3.1Å; N293-N295 PolarHBondContact O-N 3.05Å; N293-N295 VanDerWaalsContact O-N 3.11Å; N293-G296 PolarHBondContact O-N 2.94Å |
| 294 | A | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F92 L93 F263 M340 | F92-A294 HydrophobicContact CD2-CB 4.22Å; L93-A294 HydrophobicContact CD1-CB 3.98Å; L93-A294 HydrophobicContact CG-CB 4.16Å; F263-A294 WeakPolarHBondContact O-CB 3.47Å; A294-M340 HydrophobicContact CB-CE 4.49Å; A294-M340 WeakPolarHBondContact O-CE 3.22Å |
| 295 | N | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.8 | 177.9 | -174.9 | -90 | 0 | 0 | 0 | 113.5 | F263 L291 N293 S297 A333 S336 M340 | F263-N295 HydrophobicContact CE1-CB 4.3Å; L291-N295 HydrophobicContact CB-CB 4.24Å; L291-N295 HydrophobicContact CD2-CB 3.97Å; L291-N295 WeakPolarHBondContact O-CB 3.45Å; N293-N295 PolarHBondContact O-N 3.05Å; N293-N295 VanDerWaalsContact O-N 3.11Å; N295-S297 VanDerWaalsContact C-N 3.28Å; N295-S297 PolarHBondContact O-N 3.15Å; N295-S297 WeakPolarHBondContact OD1-CB 3.44Å; N295-A333 PolarHBondContact ND2-O 3.43Å; N295-A333 WeakPolarHBondContact OD1-CA 3.25Å; N295-A333 WeakPolarHBondContact OD1-CB 3.33Å; N295-S336 WeakPolarHBondContact ND2-CB 3.19Å; N295-S336 WeakPolarHBondContact O-CB 3.35Å; N295-S336 PolarHBondContact O-OG 2.94Å; N295-M340 HydrophobicContact CB-CE 3.79Å |
| 296 | G | 95.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | trans | 69 | 22.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A96 L291 N293 | A96-G296 WeakPolarHBondContact CA-O 3.4Å; L291-G296 PolarHBondContact O-N 2.91Å; N293-G296 PolarHBondContact O-N 2.94Å | ||
| 297 | S | 96.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 12% | 0.119 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -116.6 | -165.3 | 175 | -166.7 | 0 | 0 | 0 | 0 | 110.8 | L291 E292 N295 L329 | L291-S297 PolarHBondContact O-N 3.44Å; E292-S297 VanDerWaalsContact CA-O 3.22Å; E292-S297 WeakPolarHBondContact CA-O 3.39Å; N295-S297 VanDerWaalsContact C-N 3.28Å; N295-S297 PolarHBondContact O-N 3.15Å; N295-S297 WeakPolarHBondContact OD1-CB 3.44Å; S297-L329 PolarHBondContact OG-O 3.44Å |
| 298 | T | 95.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 22.8 Ų | 22.8 | 32% | 0.319 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -110 | 156.5 | 170.1 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | Y150 L325 | Y150-T298 HydrophobicContact CD2-CG2 4.41Å; T298-L325 WeakPolarHBondContact O-CD1 3.25Å; T298-L325 WeakPolarHBondContact O-CD2 3.39Å |
| 299 | G | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | 108.1 | -166.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y148 G151 S290 L291 E292 | Y148-G299 VanDerWaalsContact O-CA 3.31Å; Y148-G299 WeakPolarHBondContact O-CA 3.33Å; G151-G299 WeakPolarHBondContact CA-O 3.46Å; G151-G299 PolarHBondContact N-O 2.94Å; S290-G299 PolarHBondContact OG-O 3.34Å; L291-G299 PolarHBondContact N-O 3.47Å; E292-G299 PolarHBondContact OE1-N 3.29Å | ||
| 300 | G | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 173.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y148 T154 S289 | Y148-G300 PolarHBondContact N-O 3.06Å; Y148-G300 PolarHBondContact O-N 3.37Å; Y148-G300 VanDerWaalsContact O-N 3.09Å; T154-G300 WeakPolarHBondContact OG1-CA 3.35Å; S289-G300 CarbonylContact O-C 3.59Å; S289-G300 WeakPolarHBondContact O-CA 3.48Å |
| 301 | F | 98 | Very high | 96 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.2 | 177.3 | 69.1 | -86.6 | 0 | 0 | 0 | 111 | L136 M140 A146 F263 S288 S289 L291 C303 | L136-F301 HydrophobicContact CD1-CB 3.82Å; L136-F301 HydrophobicContact CD1-CD1 3.87Å; L136-F301 HydrophobicContact CD1-CD2 4.37Å; L136-F301 HydrophobicContact CD1-CG 3.76Å; L136-F301 HydrophobicContact CD2-CD1 3.87Å; L136-F301 HydrophobicContact CD2-CE1 3.71Å; L136-F301 HydrophobicContact CD2-CE2 4.41Å; L136-F301 HydrophobicContact CD2-CG 4.28Å; L136-F301 HydrophobicContact CD2-CZ 4.01Å; L136-F301 HydrophobicContact CG-CD1 4.49Å; M140-F301 HydrophobicContact CG-CE2 3.98Å; M140-F301 HydrophobicContact CG-CZ 4.29Å; M140-F301 HydrophobicContact SD-CE2 4.41Å; M140-F301 HydrophobicContact SD-CZ 4.24Å; A146-F301 CarbonylContact O-C 3.54Å; A146-F301 WeakPolarHBondContact O-CA 3.48Å; F263-F301 HydrophobicContact CD2-CE1 4.13Å; F263-F301 AromaticContact CD2-CZ 3.72Å; F263-F301 HydrophobicContact CD2-CZ 3.72Å; F263-F301 HydrophobicContact CE1-CE1 4.36Å; F263-F301 AromaticContact CE2-CE1 3.91Å; F263-F301 HydrophobicContact CE2-CE1 3.91Å; F263-F301 AromaticContact CE2-CZ 3.59Å; F263-F301 HydrophobicContact CE2-CZ 3.59Å; F263-F301 HydrophobicContact CG-CE1 4.42Å; F263-F301 HydrophobicContact CG-CZ 4.39Å; F263-F301 HydrophobicContact CZ-CE1 4.04Å; F263-F301 HydrophobicContact CZ-CZ 4.18Å; S288-F301 CarbonylContact C-O 3.56Å; S288-F301 WeakPolarHBondContact CA-O 3.5Å; S289-F301 PolarHBondContact N-O 3.31Å; S289-F301 PolarHBondContact O-N 3.32Å; L291-F301 HydrophobicContact CD2-CD1 3.8Å; L291-F301 HydrophobicContact CD2-CE1 3.97Å; L291-F301 HydrophobicContact CG-CD1 4.2Å; F301-C303 HydrophobicContact CD2-CB 4.17Å; F301-C303 HydrophobicContact CE2-CB 4.25Å |
| 302 | T | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.3 | 162.1 | 54.9 | 0 | 0 | 0 | 0 | 109.2 | A145 A146 Y148 T154 A158 I287 Q312 | A145-T302 CarbonylContact C-O 3.57Å; A145-T302 WeakPolarHBondContact CA-O 3.46Å; A145-T302 WeakPolarHBondContact CB-O 3.25Å; A146-T302 PolarHBondContact N-O 2.97Å; A146-T302 PolarHBondContact O-N 2.76Å; Y148-T302 HydrophobicContact CE2-CG2 3.79Å; T154-T302 HydrophobicContact CG2-CG2 4.01Å; A158-T302 HydrophobicContact CB-CG2 3.9Å; I287-T302 CarbonylContact O-C 3.57Å; I287-T302 WeakPolarHBondContact O-CA 3.36Å; I287-T302 WeakPolarHBondContact O-CB 3.04Å; T302-Q312 VanDerWaalsContact CB-OE1 3.3Å; T302-Q312 VanDerWaalsContact OG1-CD 3.26Å; T302-Q312 PolarHBondContact OG1-OE1 2.71Å |
| 303 | C | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.6 | 176.3 | 70 | 0 | 0 | 0 | 0 | 112 | T142 E144 A145 I287 F301 | T142-C303 HydrophobicContact CG2-CB 4.32Å; T142-C303 WeakPolarHBondContact OG1-CB 3.42Å; E144-C303 WeakPolarHBondContact O-CA 3.31Å; E144-C303 WeakPolarHBondContact O-CB 3.35Å; A145-C303 HydrophobicContact CB-CB 3.92Å; I287-C303 PolarHBondContact N-O 3.01Å; I287-C303 VanDerWaalsContact N-O 3.17Å; I287-C303 PolarHBondContact O-N 2.85Å; F301-C303 HydrophobicContact CD2-CB 4.17Å; F301-C303 HydrophobicContact CE2-CB 4.25Å |
| 304 | G | 96.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -151.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112 | E143 E144 | E143-G304 PolarHBondContact N-O 2.68Å; E144-G304 PolarHBondContact N-O 3.46Å; E144-G304 VanDerWaalsContact N-O 3.14Å; E144-G304 PolarHBondContact O-N 3Å; E144-G304 VanDerWaalsContact O-N 3.15Å |
| 305 | R | 95.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 34.8 Ų | 34.8 | 36% | 0.355 | 19% | 0.187 | S | C | . | . | trans | -72.7 | 150.8 | 178.2 | -64.5 | -173.3 | 178.3 | 148.5 | 4.4 | 112 | D282 F307 V308 I309 | D282-R305 PolarHBondContact O-NH2 2.81Å; D282-R305 IonicContact OD1-CZ 3.08Å; D282-R305 IonicContact OD1-NE 3.89Å; D282-R305 PolarHBondContact OD1-NE 2.97Å; D282-R305 VanDerWaalsContact OD1-NE 3.1Å; D282-R305 IonicContact OD1-NH2 3.26Å; D282-R305 PolarHBondContact OD1-NH2 3.46Å; R305-F307 VanDerWaalsContact C-N 3.28Å; R305-F307 HydrophobicContact CB-CD1 3.9Å; R305-F307 HydrophobicContact CB-CE1 3.66Å; R305-F307 HydrophobicContact CB-CZ 4.33Å; R305-F307 HydrophobicContact CG-CE1 4.25Å; R305-F307 PolarHBondContact O-N 3.12Å; R305-V308 HydrophobicContact CB-CG2 4.29Å; R305-V308 WeakPolarHBondContact O-CA 3.32Å; R305-V308 VanDerWaalsContact O-CB 3.29Å; R305-V308 WeakPolarHBondContact O-CB 3.37Å; R305-V308 PolarHBondContact O-N 3.36Å; R305-I309 PolarHBondContact O-N 3.19Å | ||
| 306 | S | 95.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 31% | 0.308 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -56.1 | -39.7 | -175.4 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | E143 V308 G310 | E143-S306 WeakPolarHBondContact OE2-CB 3.26Å; E143-S306 PolarHBondContact OE2-N 2.96Å; E143-S306 PolarHBondContact OE2-OG 3.33Å; S306-V308 VanDerWaalsContact C-N 3.33Å; S306-V308 PolarHBondContact O-N 2.7Å; S306-G310 WeakPolarHBondContact O-CA 3.1Å; S306-G310 PolarHBondContact O-N 3.04Å |
| 307 | F | 92.9 | Very high | 93.9 | Very high | 143 Ų | 143 | 37.5 Ų | 37.5 | 63% | 0.627 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -71.1 | -28.4 | 178.3 | 72.6 | -95.7 | 0 | 0 | 0 | 113.2 | R305 H311 | R305-F307 VanDerWaalsContact C-N 3.28Å; R305-F307 HydrophobicContact CB-CD1 3.9Å; R305-F307 HydrophobicContact CB-CE1 3.66Å; R305-F307 HydrophobicContact CB-CZ 4.33Å; R305-F307 HydrophobicContact CG-CE1 4.25Å; R305-F307 PolarHBondContact O-N 3.12Å; F307-H311 WeakPolarHBondContact O-CB 3.34Å; F307-H311 PolarHBondContact O-N 2.83Å |
| 308 | V | 91 | Very high | 93.4 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.7 | -58.6 | 174 | 173.1 | 0 | 0 | 0 | 0 | 107.2 | Y162 D285 M286 R305 S306 G310 H311 Q312 | Y162-V308 HydrophobicContact CE1-CG1 4.1Å; Y162-V308 WeakPolarHBondContact OH-CG1 3.39Å; Y162-V308 PolarHBondContact OH-O 3.02Å; D285-V308 WeakPolarHBondContact O-CG1 3.43Å; M286-V308 HydrophobicContact CB-CG1 4.39Å; R305-V308 HydrophobicContact CB-CG2 4.29Å; R305-V308 WeakPolarHBondContact O-CA 3.32Å; R305-V308 VanDerWaalsContact O-CB 3.29Å; R305-V308 WeakPolarHBondContact O-CB 3.37Å; R305-V308 PolarHBondContact O-N 3.36Å; S306-V308 VanDerWaalsContact C-N 3.33Å; S306-V308 PolarHBondContact O-N 2.7Å; V308-G310 VanDerWaalsContact C-N 3.34Å; V308-G310 PolarHBondContact O-N 2.99Å; V308-H311 WeakPolarHBondContact O-CB 3.29Å; V308-H311 PolarHBondContact O-N 3.11Å; V308-Q312 PolarHBondContact O-N 2.89Å; V308-Q312 VanDerWaalsContact O-N 3.15Å |
| 309 | I | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | -177.5 | -57 | -48.7 | 0 | 0 | 0 | 112.3 | E144 A146 R305 H311 Q312 R313 | E144-I309 HydrophobicContact CB-CB 4.03Å; E144-I309 HydrophobicContact CB-CG1 4.09Å; E144-I309 HydrophobicContact CB-CG2 4.06Å; A146-I309 HydrophobicContact CB-CG2 3.66Å; R305-I309 PolarHBondContact O-N 3.19Å; I309-H311 VanDerWaalsContact C-N 3.33Å; I309-H311 PolarHBondContact O-N 3.43Å; I309-Q312 WeakPolarHBondContact O-CB 3.27Å; I309-Q312 PolarHBondContact O-N 2.94Å; I309-Q312 VanDerWaalsContact O-N 3.17Å; I309-R313 WeakPolarHBondContact O-CG 3.4Å; I309-R313 PolarHBondContact O-N 3.06Å |
| 310 | G | 92.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.6 | -42.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | S306 V308 Q312 R313 L314 | S306-G310 WeakPolarHBondContact O-CA 3.1Å; S306-G310 PolarHBondContact O-N 3.04Å; V308-G310 VanDerWaalsContact C-N 3.34Å; V308-G310 PolarHBondContact O-N 2.99Å; G310-Q312 PolarHBondContact O-N 2.89Å; G310-R313 PolarHBondContact O-N 3.16Å; G310-L314 PolarHBondContact O-N 3.11Å |
| 311 | H | 92.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 43 Ų | 43 | 32% | 0.324 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.1 | -178.2 | 73.5 | 0 | 0 | 0 | 112.3 | A161 Y162 F307 V308 I309 L314 S315 | A161-H311 PolarHBondContact O-NE2 2.88Å; Y162-H311 AromaticContact CD1-CD2 3.66Å; Y162-H311 HydrophobicContact CE1-CB 4.22Å; Y162-H311 AromaticContact CE1-CD2 3.54Å; F307-H311 WeakPolarHBondContact O-CB 3.34Å; F307-H311 PolarHBondContact O-N 2.83Å; V308-H311 WeakPolarHBondContact O-CB 3.29Å; V308-H311 PolarHBondContact O-N 3.11Å; I309-H311 VanDerWaalsContact C-N 3.33Å; I309-H311 PolarHBondContact O-N 3.43Å; H311-L314 PolarHBondContact O-N 3.27Å; H311-S315 PolarHBondContact CE1-OG 2.96Å; H311-S315 VanDerWaalsContact CE1-OG 3.23Å; H311-S315 PolarHBondContact NE2-OG 3.03Å; H311-S315 VanDerWaalsContact O-CB 3.23Å; H311-S315 WeakPolarHBondContact O-CB 3.36Å; H311-S315 PolarHBondContact O-N 3.47Å; H311-S315 PolarHBondContact O-OG 2.96Å; H311-S315 VanDerWaalsContact O-OG 3.13Å |
| 312 | Q | 90 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.9 | -96.8 | 161.4 | -3.7 | 0 | 0 | 112.5 | A161 Y162 M286 T302 V308 I309 G310 L314 S315 A316 | A161-Q312 HydrophobicContact CB-CG 4.42Å; Y162-Q312 HydrophobicContact CE2-CG 3.68Å; Y162-Q312 VanDerWaalsContact CE2-NE2 3.3Å; Y162-Q312 WeakPolarHBondContact OH-CG 3.28Å; Y162-Q312 PolarHBondContact OH-NE2 2.86Å; Y162-Q312 PolarHBondContact OH-OE1 2.93Å; M286-Q312 PolarHBondContact SD-NE2 3.45Å; T302-Q312 VanDerWaalsContact CB-OE1 3.3Å; T302-Q312 VanDerWaalsContact OG1-CD 3.26Å; T302-Q312 PolarHBondContact OG1-OE1 2.71Å; V308-Q312 PolarHBondContact O-N 2.89Å; V308-Q312 VanDerWaalsContact O-N 3.15Å; I309-Q312 WeakPolarHBondContact O-CB 3.27Å; I309-Q312 PolarHBondContact O-N 2.94Å; I309-Q312 VanDerWaalsContact O-N 3.17Å; G310-Q312 PolarHBondContact O-N 2.89Å; Q312-L314 PolarHBondContact O-N 3.05Å; Q312-L314 VanDerWaalsContact O-N 3.08Å; Q312-S315 PolarHBondContact O-N 2.77Å; Q312-S315 VanDerWaalsContact O-N 3.09Å; Q312-A316 HydrophobicContact CB-CB 4.48Å; Q312-A316 HydrophobicContact CG-CB 4.46Å; Q312-A316 VanDerWaalsContact O-CB 3.24Å; Q312-A316 WeakPolarHBondContact O-CB 3.1Å; Q312-A316 PolarHBondContact O-N 3.43Å |
| 313 | R | 91.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -26.3 | 179.5 | -67.9 | -169.1 | 177.5 | 107.8 | -5.1 | 113 | E133 E144 A145 A146 I309 G310 Y319 C320 | E133-R313 IonicContact OE2-NH2 3.64Å; E133-R313 PolarHBondContact OE2-NH2 2.76Å; E133-R313 VanDerWaalsContact OE2-NH2 3.1Å; E144-R313 IonicContact OE2-CZ 3.81Å; E144-R313 IonicContact OE2-NH1 3.52Å; E144-R313 PolarHBondContact OE2-NH1 2.63Å; E144-R313 IonicContact OE2-NH2 2.8Å; A145-R313 PolarHBondContact O-NH2 3.37Å; A146-R313 HydrophobicContact CB-CG 4.28Å; I309-R313 WeakPolarHBondContact O-CG 3.4Å; I309-R313 PolarHBondContact O-N 3.06Å; G310-R313 PolarHBondContact O-N 3.16Å; R313-Y319 HydrophobicContact CB-CD1 4.12Å; R313-Y319 HydrophobicContact CB-CE1 3.69Å; R313-Y319 WeakPolarHBondContact CD-OH 3.39Å; R313-Y319 HydrophobicContact CG-CD1 4.37Å; R313-Y319 HydrophobicContact CG-CE1 3.76Å; R313-Y319 HydrophobicContact CG-CE2 4.1Å; R313-Y319 WeakPolarHBondContact O-CD1 3.4Å; R313-C320 PolarHBondContact O-SG 3.41Å |
| 314 | L | 89.4 | Confident | 91.2 | Very high | 144 Ų | 144 | 48 Ų | 48 | 75% | 0.754 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -94.7 | -22.3 | 179.3 | -61.2 | 175.3 | 0 | 0 | 0 | 114 | G310 H311 Q312 C320 | G310-L314 PolarHBondContact O-N 3.11Å; H311-L314 PolarHBondContact O-N 3.27Å; Q312-L314 PolarHBondContact O-N 3.05Å; Q312-L314 VanDerWaalsContact O-N 3.08Å; L314-C320 VanDerWaalsContact C-SG 3.58Å |
| 315 | S | 89.4 | Confident | 91.1 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -125.5 | -19.7 | -165.1 | -58.3 | 0 | 0 | 0 | 0 | 115.2 | H311 Q312 S317 | H311-S315 PolarHBondContact CE1-OG 2.96Å; H311-S315 VanDerWaalsContact CE1-OG 3.23Å; H311-S315 PolarHBondContact NE2-OG 3.03Å; H311-S315 VanDerWaalsContact O-CB 3.23Å; H311-S315 WeakPolarHBondContact O-CB 3.36Å; H311-S315 PolarHBondContact O-N 3.47Å; H311-S315 PolarHBondContact O-OG 2.96Å; H311-S315 VanDerWaalsContact O-OG 3.13Å; Q312-S315 PolarHBondContact O-N 2.77Å; Q312-S315 VanDerWaalsContact O-N 3.09Å; S315-S317 PolarHBondContact O-N 2.6Å |
| 316 | A | 90.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -82.3 | 112.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y148 A161 Q312 G318 Y319 C320 | Y148-A316 HydrophobicContact CE1-CB 3.97Å; Y148-A316 VanDerWaalsContact OH-CB 3.31Å; Y148-A316 WeakPolarHBondContact OH-CB 3.32Å; A161-A316 HydrophobicContact CB-CB 4.09Å; Q312-A316 HydrophobicContact CB-CB 4.48Å; Q312-A316 HydrophobicContact CG-CB 4.46Å; Q312-A316 VanDerWaalsContact O-CB 3.24Å; Q312-A316 WeakPolarHBondContact O-CB 3.1Å; Q312-A316 PolarHBondContact O-N 3.43Å; A316-G318 PolarHBondContact O-N 2.88Å; A316-G318 VanDerWaalsContact O-N 3.15Å; A316-Y319 WeakPolarHBondContact O-CA 3.41Å; A316-Y319 WeakPolarHBondContact O-CB 3.05Å; A316-Y319 PolarHBondContact O-N 2.67Å; A316-C320 PolarHBondContact O-N 3.29Å; A316-C320 PolarHBondContact O-SG 2.9Å; A316-C320 VanDerWaalsContact O-SG 3.34Å | ||
| 317 | S | 88.9 | Confident | 91.1 | Very high | 73 Ų | 73 | 43.2 Ų | 43.2 | 51% | 0.51 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.8 | -35.2 | -176.5 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | S315 Y319 C320 F321 | S315-S317 PolarHBondContact O-N 2.6Å; S317-Y319 PolarHBondContact O-N 3.32Å; S317-C320 PolarHBondContact O-N 3.39Å; S317-F321 PolarHBondContact O-N 3.47Å |
| 318 | G | 87.3 | Confident | 91.3 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -22.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S157 A316 S322 | S157-G318 PolarHBondContact OG-N 3.34Å; A316-G318 PolarHBondContact O-N 2.88Å; A316-G318 VanDerWaalsContact O-N 3.15Å; G318-S322 WeakPolarHBondContact O-CB 3.44Å |
| 319 | Y | 90 | Very high | 91.6 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -89.5 | -43.6 | 172.8 | -172.2 | -85.3 | 0 | 0 | 0 | 111.4 | R120 A121 A146 L147 R313 A316 S317 | R120-Y319 HydrophobicContact CB-CD1 4Å; R120-Y319 HydrophobicContact CB-CD2 4.13Å; R120-Y319 HydrophobicContact CB-CE1 3.62Å; R120-Y319 HydrophobicContact CB-CE2 3.77Å; R120-Y319 HydrophobicContact CB-CG 4.24Å; R120-Y319 VanDerWaalsContact CB-CZ 3.5Å; R120-Y319 HydrophobicContact CG-CD2 4.45Å; R120-Y319 HydrophobicContact CG-CE2 4.17Å; A121-Y319 HydrophobicContact CB-CE1 4.49Å; A146-Y319 HydrophobicContact CB-CD2 4.24Å; A146-Y319 HydrophobicContact CB-CE2 4.01Å; L147-Y319 WeakPolarHBondContact O-CD2 3.3Å; R313-Y319 HydrophobicContact CB-CD1 4.12Å; R313-Y319 HydrophobicContact CB-CE1 3.69Å; R313-Y319 WeakPolarHBondContact CD-OH 3.39Å; R313-Y319 HydrophobicContact CG-CD1 4.37Å; R313-Y319 HydrophobicContact CG-CE1 3.76Å; R313-Y319 HydrophobicContact CG-CE2 4.1Å; R313-Y319 WeakPolarHBondContact O-CD1 3.4Å; A316-Y319 WeakPolarHBondContact O-CA 3.41Å; A316-Y319 WeakPolarHBondContact O-CB 3.05Å; A316-Y319 PolarHBondContact O-N 2.67Å; S317-Y319 PolarHBondContact O-N 3.32Å |
| 320 | C | 88.5 | Confident | 91.8 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.4 | -30.8 | -171.9 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | P119 A121 R313 L314 A316 S317 | P119-C320 WeakPolarHBondContact CB-O 3.46Å; A121-C320 HydrophobicContact CB-CB 4.24Å; R313-C320 PolarHBondContact O-SG 3.41Å; L314-C320 VanDerWaalsContact C-SG 3.58Å; A316-C320 PolarHBondContact O-N 3.29Å; A316-C320 PolarHBondContact O-SG 2.9Å; A316-C320 VanDerWaalsContact O-SG 3.34Å; S317-C320 PolarHBondContact O-N 3.39Å |
| 321 | F | 88.1 | Confident | 92 | Very high | 153 Ų | 153 | 39 Ų | 39 | 67% | 0.671 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -12.6 | -169.3 | -55.3 | -64.3 | 0 | 0 | 0 | 114.6 | S317 | S317-F321 PolarHBondContact O-N 3.47Š|
| 322 | S | 87.8 | Confident | 92.3 | Very high | 48 Ų | 48 | 35.8 Ų | 35.8 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -79.6 | 139.5 | 170.7 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | P119 G318 | P119-S322 WeakPolarHBondContact CA-O 2.94Å; P119-S322 VanDerWaalsContact CB-O 3.31Å; P119-S322 WeakPolarHBondContact CB-O 3.46Å; G318-S322 WeakPolarHBondContact O-CB 3.44Å |
| 323 | A | 89.4 | Confident | 92.7 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -53.1 | 144 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | G118 S149 | G118-A323 WeakPolarHBondContact O-CA 3.19Å; S149-A323 WeakPolarHBondContact CB-O 3.33Å; S149-A323 PolarHBondContact OG-O 3.44Å |
| 324 | S | 92.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -61 | 162 | -177 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | T116 G118 G124 H129 S149 | T116-S324 VanDerWaalsContact CG2-OG 3.3Å; T116-S324 WeakPolarHBondContact CG2-OG 3.33Å; T116-S324 PolarHBondContact OG1-OG 3.34Å; G118-S324 PolarHBondContact O-N 2.81Å; G124-S324 WeakPolarHBondContact O-CB 3.4Å; G124-S324 PolarHBondContact O-OG 3.18Å; H129-S324 PolarHBondContact CE1-OG 3.13Å; S149-S324 WeakPolarHBondContact OG-CA 3.5Å |
| 325 | L | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 131.2 | 170.8 | -174.4 | 64.6 | 0 | 0 | 0 | 108.6 | H129 L147 S149 T298 S327 L329 T330 | H129-L325 PolarHBondContact NE2-O 2.94Å; L147-L325 HydrophobicContact CD1-CD2 4.22Å; L147-L325 HydrophobicContact CD2-CB 4.18Å; L147-L325 HydrophobicContact CD2-CD2 3.97Å; L147-L325 HydrophobicContact CG-CD2 4.33Å; S149-L325 PolarHBondContact OG-N 3.49Å; T298-L325 WeakPolarHBondContact O-CD1 3.25Å; T298-L325 WeakPolarHBondContact O-CD2 3.39Å; L325-S327 PolarHBondContact O-N 2.94Å; L325-L329 HydrophobicContact CD1-CB 4.15Å; L325-L329 HydrophobicContact CD1-CD1 4.46Å; L325-L329 HydrophobicContact CG-CB 4.26Å; L325-T330 WeakPolarHBondContact CD2-OG1 3.42Å; L325-T330 WeakPolarHBondContact CG-OG1 3.4Å |
| 326 | P | 95.7 | Very high | 94 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -51.4 | 137.7 | 174.1 | -34.5 | 40.5 | 0 | 0 | 0 | 112.5 | V114 P328 L329 T330 | V114-P326 WeakPolarHBondContact O-CB 3.1Å; P326-P328 VanDerWaalsContact C-CD 3.4Å; P326-P328 VanDerWaalsContact C-N 3.34Å; P326-L329 HydrophobicContact CB-CB 4.46Å; P326-L329 HydrophobicContact CB-CD1 4.08Å; P326-L329 HydrophobicContact CB-CG 4.21Å; P326-L329 HydrophobicContact CG-CD1 4.06Å; P326-L329 PolarHBondContact O-N 3.49Å; P326-L329 VanDerWaalsContact O-N 3.13Å; P326-T330 PolarHBondContact O-N 3.39Å; P326-T330 PolarHBondContact O-OG1 2.92Å |
| 327 | S | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.4 | -39.5 | -179.8 | 31.4 | 0 | 0 | 0 | 0 | 113.8 | G113 L325 L329 T330 A331 | G113-S327 PolarHBondContact O-OG 2.85Å; L325-S327 PolarHBondContact O-N 2.94Å; S327-L329 PolarHBondContact O-N 2.91Å; S327-T330 PolarHBondContact O-N 3.11Å; S327-A331 WeakPolarHBondContact O-CB 3.44Å; S327-A331 PolarHBondContact O-N 2.89Å |
| 328 | P | 97 | Very high | 94.8 | Very high | 18 Ų | 18 | 27 Ų | 27 | 12% | 0.117 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.6 | -21.9 | 36.1 | 0 | 0 | 0 | 112.6 | A105 V109 P326 A331 G332 | A105-P328 HydrophobicContact CB-CB 4.07Å; A105-P328 WeakPolarHBondContact CB-O 3.29Å; V109-P328 HydrophobicContact CB-CG 4.46Å; V109-P328 HydrophobicContact CG2-CB 3.84Å; V109-P328 HydrophobicContact CG2-CG 3.33Å; P326-P328 VanDerWaalsContact C-CD 3.4Å; P326-P328 VanDerWaalsContact C-N 3.34Å; P328-A331 PolarHBondContact O-N 3.31Å; P328-G332 PolarHBondContact O-N 2.73Å |
| 329 | L | 97.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 26.8 Ų | 26.8 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -71.1 | -35.8 | 179 | -59.8 | 177.7 | 0 | 0 | 0 | 111.2 | S297 L325 P326 S327 G332 A333 | S297-L329 PolarHBondContact OG-O 3.44Å; L325-L329 HydrophobicContact CD1-CB 4.15Å; L325-L329 HydrophobicContact CD1-CD1 4.46Å; L325-L329 HydrophobicContact CG-CB 4.26Å; P326-L329 HydrophobicContact CB-CB 4.46Å; P326-L329 HydrophobicContact CB-CD1 4.08Å; P326-L329 HydrophobicContact CB-CG 4.21Å; P326-L329 HydrophobicContact CG-CD1 4.06Å; P326-L329 PolarHBondContact O-N 3.49Å; P326-L329 VanDerWaalsContact O-N 3.13Å; S327-L329 PolarHBondContact O-N 2.91Å; L329-G332 PolarHBondContact O-N 2.99Å; L329-A333 VanDerWaalsContact O-CB 3.29Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 2.78Å |
| 330 | T | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 174 | -51 | 0 | 0 | 0 | 0 | 111.2 | V128 H129 L132 L147 L325 P326 S327 A333 L334 | V128-T330 HydrophobicContact CB-CG2 4.36Å; V128-T330 HydrophobicContact CG1-CG2 4.08Å; V128-T330 HydrophobicContact CG2-CG2 3.8Å; V128-T330 WeakPolarHBondContact O-CG2 3.36Å; H129-T330 PolarHBondContact CD2-OG1 2.95Å; L132-T330 HydrophobicContact CB-CG2 3.97Å; L132-T330 HydrophobicContact CD2-CG2 3.68Å; L132-T330 HydrophobicContact CG-CG2 4.49Å; L147-T330 HydrophobicContact CD2-CG2 3.97Å; L325-T330 WeakPolarHBondContact CD2-OG1 3.42Å; L325-T330 WeakPolarHBondContact CG-OG1 3.4Å; P326-T330 PolarHBondContact O-N 3.39Å; P326-T330 PolarHBondContact O-OG1 2.92Å; S327-T330 PolarHBondContact O-N 3.11Å; T330-A333 PolarHBondContact O-N 3.21Å; T330-L334 PolarHBondContact O-N 3.38Å |
| 331 | A | 98.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A108 V128 S327 P328 L334 R335 | A108-A331 HydrophobicContact CB-CB 3.48Å; A108-A331 VanDerWaalsContact CB-CB 3.48Å; V128-A331 HydrophobicContact CG2-CB 4.12Å; S327-A331 WeakPolarHBondContact O-CB 3.44Å; S327-A331 PolarHBondContact O-N 2.89Å; P328-A331 PolarHBondContact O-N 3.31Å; A331-L334 PolarHBondContact O-N 3.43Å; A331-R335 PolarHBondContact O-N 3.02Å |
| 332 | G | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P328 L329 L334 R335 S336 | P328-G332 PolarHBondContact O-N 2.73Å; L329-G332 PolarHBondContact O-N 2.99Å; G332-L334 VanDerWaalsContact C-N 3.32Å; G332-L334 PolarHBondContact O-N 3.41Å; G332-R335 PolarHBondContact O-N 2.99Å; G332-R335 VanDerWaalsContact O-N 3.14Å; G332-S336 PolarHBondContact O-N 3.37Å; G332-S336 PolarHBondContact O-OG 3.34Å |
| 333 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L132 L291 N295 L329 T330 S336 L337 | L132-A333 HydrophobicContact CD1-CB 4.43Å; L132-A333 HydrophobicContact CD2-CB 3.76Å; L291-A333 HydrophobicContact CD1-CB 4.17Å; N295-A333 PolarHBondContact ND2-O 3.43Å; N295-A333 WeakPolarHBondContact OD1-CA 3.25Å; N295-A333 WeakPolarHBondContact OD1-CB 3.33Å; L329-A333 VanDerWaalsContact O-CB 3.29Å; L329-A333 WeakPolarHBondContact O-CB 3.43Å; L329-A333 PolarHBondContact O-N 2.78Å; T330-A333 PolarHBondContact O-N 3.21Å; A333-S336 PolarHBondContact O-N 2.96Å; A333-L337 WeakPolarHBondContact O-CB 3.08Å; A333-L337 PolarHBondContact O-N 2.82Å |
| 334 | L | 98.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 173.8 | 177.6 | 58.7 | 0 | 0 | 0 | 110.9 | Q131 L132 R135 T330 A331 G332 S336 L337 E338 | Q131-L334 HydrophobicContact CB-CD2 4.07Å; L132-L334 HydrophobicContact CD1-CB 4.14Å; L132-L334 HydrophobicContact CD1-CD1 4.38Å; R135-L334 HydrophobicContact CB-CD1 3.77Å; R135-L334 HydrophobicContact CG-CD1 3.87Å; T330-L334 PolarHBondContact O-N 3.38Å; A331-L334 PolarHBondContact O-N 3.43Å; G332-L334 VanDerWaalsContact C-N 3.32Å; G332-L334 PolarHBondContact O-N 3.41Å; L334-S336 PolarHBondContact O-N 2.99Å; L334-L337 WeakPolarHBondContact O-CB 3.36Å; L334-L337 PolarHBondContact O-N 3.49Å; L334-E338 WeakPolarHBondContact O-CG 3.48Å; L334-E338 PolarHBondContact O-N 3.48Å |
| 335 | R | 98.7 | Very high | 97.8 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 20% | 0.204 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 178.2 | -176.7 | 60 | -166.3 | 147.8 | 7.4 | 112.3 | V101 A104 A331 G332 L337 E338 I339 E342 | V101-R335 HydrophobicContact CG2-CB 4.43Å; V101-R335 HydrophobicContact CG2-CG 4.23Å; A104-R335 HydrophobicContact CB-CB 3.77Å; A104-R335 HydrophobicContact CB-CG 4.24Å; A331-R335 PolarHBondContact O-N 3.02Å; G332-R335 PolarHBondContact O-N 2.99Å; G332-R335 VanDerWaalsContact O-N 3.14Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 2.95Å; R335-E338 WeakPolarHBondContact CD-OE2 3.22Å; R335-E338 IonicContact CZ-OE2 2.72Å; R335-E338 IonicContact NH1-OE2 3.48Å; R335-E338 PolarHBondContact NH1-OE2 3.47Å; R335-E338 WeakPolarHBondContact O-CB 3.32Å; R335-E338 PolarHBondContact O-N 3.17Å; R335-I339 HydrophobicContact CG-CD1 4.09Å; R335-I339 WeakPolarHBondContact O-CG1 3.37Å; R335-I339 PolarHBondContact O-N 2.86Å; R335-E342 IonicContact CZ-OE1 3.84Å; R335-E342 IonicContact CZ-OE2 3.47Å; R335-E342 IonicContact NH1-OE1 2.67Å; R335-E342 PolarHBondContact NH1-OE1 3.14Å; R335-E342 IonicContact NH1-OE2 3.08Å; R335-E342 PolarHBondContact NH1-OE2 3.21Å; R335-E342 VanDerWaalsContact NH1-OE2 3.1Å; R335-E342 IonicContact NH2-OE2 3.91Å; R335-E342 PolarHBondContact NH2-OE2 3.07Å |
| 336 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 173.2 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | V101 N295 G332 A333 L334 E338 I339 M340 | V101-S336 WeakPolarHBondContact CG2-OG 3.48Å; N295-S336 WeakPolarHBondContact ND2-CB 3.19Å; N295-S336 WeakPolarHBondContact O-CB 3.35Å; N295-S336 PolarHBondContact O-OG 2.94Å; G332-S336 PolarHBondContact O-N 3.37Å; G332-S336 PolarHBondContact O-OG 3.34Å; A333-S336 PolarHBondContact O-N 2.96Å; L334-S336 PolarHBondContact O-N 2.99Å; S336-E338 VanDerWaalsContact C-N 3.34Å; S336-E338 PolarHBondContact O-N 3.24Å; S336-I339 PolarHBondContact O-N 3Å; S336-M340 WeakPolarHBondContact O-CG 3.41Å; S336-M340 PolarHBondContact O-N 2.78Å |
| 337 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.4 | -178.5 | 59.6 | 0 | 0 | 0 | 112.3 | L132 R135 L136 F139 F263 A333 L334 R335 M340 I341 | L132-L337 HydrophobicContact CD1-CD2 4.37Å; R135-L337 HydrophobicContact CB-CD2 3.97Å; R135-L337 HydrophobicContact CG-CD2 3.54Å; R135-L337 HydrophobicContact CG-CG 4.17Å; L136-L337 HydrophobicContact CD2-CD2 3.78Å; L136-L337 HydrophobicContact CG-CD2 3.98Å; F139-L337 HydrophobicContact CB-CD1 4.07Å; F139-L337 HydrophobicContact CB-CD2 4.44Å; F139-L337 HydrophobicContact CD1-CD1 3.85Å; F139-L337 HydrophobicContact CD2-CD1 3.98Å; F139-L337 HydrophobicContact CE1-CD1 4.25Å; F139-L337 HydrophobicContact CE2-CD1 4.36Å; F139-L337 HydrophobicContact CG-CD1 3.69Å; F139-L337 HydrophobicContact CZ-CD1 4.48Å; F263-L337 HydrophobicContact CZ-CD1 4.13Å; A333-L337 WeakPolarHBondContact O-CB 3.08Å; A333-L337 PolarHBondContact O-N 2.82Å; L334-L337 WeakPolarHBondContact O-CB 3.36Å; L334-L337 PolarHBondContact O-N 3.49Å; R335-L337 VanDerWaalsContact C-N 3.3Å; R335-L337 PolarHBondContact O-N 2.95Å; L337-M340 HydrophobicContact CD1-SD 4.27Å; L337-M340 PolarHBondContact O-N 3.31Å; L337-I341 HydrophobicContact CD1-CD1 4.38Å; L337-I341 HydrophobicContact CG-CD1 4.29Å; L337-I341 WeakPolarHBondContact O-CD1 3.45Å; L337-I341 WeakPolarHBondContact O-CG1 3.43Å; L337-I341 PolarHBondContact O-N 2.91Å |
| 338 | E | 98.7 | Very high | 98.2 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.6 | -70.2 | 173.1 | 170.1 | 0 | 0 | 111.8 | L334 R335 S336 M340 I341 E342 | L334-E338 WeakPolarHBondContact O-CG 3.48Å; L334-E338 PolarHBondContact O-N 3.48Å; R335-E338 WeakPolarHBondContact CD-OE2 3.22Å; R335-E338 IonicContact CZ-OE2 2.72Å; R335-E338 IonicContact NH1-OE2 3.48Å; R335-E338 PolarHBondContact NH1-OE2 3.47Å; R335-E338 WeakPolarHBondContact O-CB 3.32Å; R335-E338 PolarHBondContact O-N 3.17Å; S336-E338 VanDerWaalsContact C-N 3.34Å; S336-E338 PolarHBondContact O-N 3.24Å; E338-M340 VanDerWaalsContact C-N 3.32Å; E338-M340 PolarHBondContact O-N 3.06Å; E338-I341 WeakPolarHBondContact O-CB 3.26Å; E338-I341 PolarHBondContact O-N 2.89Å; E338-E342 WeakPolarHBondContact O-CB 3.04Å; E338-E342 VanDerWaalsContact O-CG 3.29Å; E338-E342 WeakPolarHBondContact O-CG 3.46Å; E338-E342 PolarHBondContact O-N 3.3Å |
| 339 | I | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.8 | -66.3 | 162.3 | 0 | 0 | 0 | 111 | L95 V101 R335 S336 I341 E342 D343 | L95-I339 HydrophobicContact CD2-CB 4.15Å; L95-I339 HydrophobicContact CD2-CD1 4.17Å; L95-I339 HydrophobicContact CD2-CG2 3.67Å; V101-I339 HydrophobicContact CG2-CD1 3.78Å; R335-I339 HydrophobicContact CG-CD1 4.09Å; R335-I339 WeakPolarHBondContact O-CG1 3.37Å; R335-I339 PolarHBondContact O-N 2.86Å; S336-I339 PolarHBondContact O-N 3Å; I339-I341 PolarHBondContact O-N 3.38Å; I339-E342 PolarHBondContact O-N 3.44Å; I339-D343 HydrophobicContact CG2-CB 4.38Å; I339-D343 WeakPolarHBondContact O-CB 3.4Å; I339-D343 PolarHBondContact O-N 3.14Å |
| 340 | M | 98.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -32.1 | 175.5 | -66.6 | 176 | -163.4 | 0 | 0 | 112.7 | L93 L95 F263 A294 N295 S336 L337 E338 | L93-M340 HydrophobicContact CD1-CE 3.98Å; L93-M340 HydrophobicContact CD1-CG 3.79Å; L93-M340 HydrophobicContact CD1-SD 4.15Å; L95-M340 HydrophobicContact CD1-CE 3.66Å; L95-M340 HydrophobicContact CD1-CG 3.86Å; F263-M340 HydrophobicContact CE1-CE 4.29Å; F263-M340 HydrophobicContact CE1-SD 4.31Å; A294-M340 HydrophobicContact CB-CE 4.49Å; A294-M340 WeakPolarHBondContact O-CE 3.22Å; N295-M340 HydrophobicContact CB-CE 3.79Å; S336-M340 WeakPolarHBondContact O-CG 3.41Å; S336-M340 PolarHBondContact O-N 2.78Å; L337-M340 HydrophobicContact CD1-SD 4.27Å; L337-M340 PolarHBondContact O-N 3.31Å; E338-M340 VanDerWaalsContact C-N 3.32Å; E338-M340 PolarHBondContact O-N 3.06Å |
| 341 | I | 98.1 | Very high | 98.3 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 34% | 0.338 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -86.3 | -37.4 | -177.7 | -63.9 | 165.4 | 0 | 0 | 0 | 111 | F139 L337 E338 I339 | F139-I341 HydrophobicContact CD2-CD1 3.63Å; F139-I341 HydrophobicContact CD2-CG1 3.68Å; F139-I341 HydrophobicContact CE2-CD1 4.32Å; F139-I341 HydrophobicContact CE2-CG1 3.87Å; F139-I341 HydrophobicContact CG-CD1 4.44Å; L337-I341 HydrophobicContact CD1-CD1 4.38Å; L337-I341 HydrophobicContact CG-CD1 4.29Å; L337-I341 WeakPolarHBondContact O-CD1 3.45Å; L337-I341 WeakPolarHBondContact O-CG1 3.43Å; L337-I341 PolarHBondContact O-N 2.91Å; E338-I341 WeakPolarHBondContact O-CB 3.26Å; E338-I341 PolarHBondContact O-N 2.89Å; I339-I341 PolarHBondContact O-N 3.38Å |
| 342 | E | 98.2 | Very high | 98.3 | Very high | 120 Ų | 120 | 42.8 Ų | 42.8 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -75.9 | -33.7 | 179.6 | -69.4 | 165.5 | -169.1 | 0 | 0 | 112.8 | R335 E338 I339 P344 | R335-E342 IonicContact CZ-OE1 3.84Å; R335-E342 IonicContact CZ-OE2 3.47Å; R335-E342 IonicContact NH1-OE1 2.67Å; R335-E342 PolarHBondContact NH1-OE1 3.14Å; R335-E342 IonicContact NH1-OE2 3.08Å; R335-E342 PolarHBondContact NH1-OE2 3.21Å; R335-E342 VanDerWaalsContact NH1-OE2 3.1Å; R335-E342 IonicContact NH2-OE2 3.91Å; R335-E342 PolarHBondContact NH2-OE2 3.07Å; E338-E342 WeakPolarHBondContact O-CB 3.04Å; E338-E342 VanDerWaalsContact O-CG 3.29Å; E338-E342 WeakPolarHBondContact O-CG 3.46Å; E338-E342 PolarHBondContact O-N 3.3Å; I339-E342 PolarHBondContact O-N 3.44Å; E342-P344 VanDerWaalsContact C-CD 3.42Å; E342-P344 VanDerWaalsContact O-CD 3.24Å; E342-P344 WeakPolarHBondContact O-CD 3.35Å |
| 343 | D | 97.9 | Very high | 98.3 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | trans | -118.5 | 71.6 | -176 | -178.8 | 10.5 | 0 | 0 | 0 | 111.5 | I339 E345 R346 R349 | I339-D343 HydrophobicContact CG2-CB 4.38Å; I339-D343 WeakPolarHBondContact O-CB 3.4Å; I339-D343 PolarHBondContact O-N 3.14Å; D343-E345 PolarHBondContact O-N 3.06Å; D343-E345 PolarHBondContact OD1-N 3.4Å; D343-R346 HydrophobicContact CB-CB 4.48Å; D343-R346 VanDerWaalsContact O-CB 3.26Å; D343-R346 WeakPolarHBondContact O-CB 3.4Å; D343-R346 PolarHBondContact O-N 3.01Å; D343-R346 VanDerWaalsContact O-N 3.15Å; D343-R346 PolarHBondContact OD1-N 3.26Å; D343-R346 VanDerWaalsContact OD1-N 3.15Å; D343-R346 IonicContact OD2-CZ 2.7Å; D343-R346 IonicContact OD2-NE 3.45Å; D343-R346 PolarHBondContact OD2-NE 3.23Å; D343-R346 VanDerWaalsContact OD2-NE 3.08Å; D343-R346 IonicContact OD2-NH2 2.97Å; D343-R346 PolarHBondContact OD2-NH2 3.4Å; D343-R349 IonicContact OD1-NH1 3.89Å; D343-R349 IonicContact OD2-NH2 3.88Å | ||
| 344 | P | 96.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 58% | 0.584 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.2 | -19.8 | 176.7 | 27.2 | -35.2 | 0 | 0 | 0 | 113.1 | E342 R346 L347 A348 | E342-P344 VanDerWaalsContact C-CD 3.42Å; E342-P344 VanDerWaalsContact O-CD 3.24Å; E342-P344 WeakPolarHBondContact O-CD 3.35Å; P344-R346 PolarHBondContact O-N 3.47Å; P344-L347 PolarHBondContact O-N 3.36Å; P344-A348 PolarHBondContact O-N 2.87Å |
| 345 | E | 98 | Very high | 98.2 | Very high | 89 Ų | 89 | 44.6 Ų | 44.6 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -27.3 | 175.6 | -177.2 | 58.3 | -159.4 | 0 | 0 | 111.1 | D343 L347 A348 R349 R352 | D343-E345 PolarHBondContact O-N 3.06Å; D343-E345 PolarHBondContact OD1-N 3.4Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 3.44Å; E345-A348 CarbonylContact O-C 3.59Å; E345-A348 WeakPolarHBondContact O-CB 3.33Å; E345-A348 PolarHBondContact O-N 2.87Å; E345-A348 VanDerWaalsContact O-N 3.14Å; E345-R349 HydrophobicContact CG-CG 4.32Å; E345-R349 WeakPolarHBondContact O-CG 3.26Å; E345-R349 PolarHBondContact O-N 3.18Å; E345-R352 IonicContact OE1-CZ 3.23Å; E345-R352 IonicContact OE1-NH1 2.78Å; E345-R352 IonicContact OE1-NH2 3.25Å; E345-R352 PolarHBondContact OE1-NH2 3.41Å |
| 346 | R | 97.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -47.1 | 172.9 | -169.3 | 173.4 | -69.5 | -78.1 | -15.1 | 112.7 | L93 D343 P344 R349 L350 S430 E431 | L93-R346 HydrophobicContact CB-CG 4.26Å; L93-R346 HydrophobicContact CD2-CG 4.05Å; L93-R346 WeakPolarHBondContact O-CD 3.23Å; L93-R346 PolarHBondContact O-NH1 2.88Å; D343-R346 HydrophobicContact CB-CB 4.48Å; D343-R346 VanDerWaalsContact O-CB 3.26Å; D343-R346 WeakPolarHBondContact O-CB 3.4Å; D343-R346 PolarHBondContact O-N 3.01Å; D343-R346 VanDerWaalsContact O-N 3.15Å; D343-R346 PolarHBondContact OD1-N 3.26Å; D343-R346 VanDerWaalsContact OD1-N 3.15Å; D343-R346 IonicContact OD2-CZ 2.7Å; D343-R346 IonicContact OD2-NE 3.45Å; D343-R346 PolarHBondContact OD2-NE 3.23Å; D343-R346 VanDerWaalsContact OD2-NE 3.08Å; D343-R346 IonicContact OD2-NH2 2.97Å; D343-R346 PolarHBondContact OD2-NH2 3.4Å; P344-R346 PolarHBondContact O-N 3.47Å; R346-R349 PolarHBondContact O-N 3.23Å; R346-L350 PolarHBondContact O-N 3.03Å; R346-S430 WeakPolarHBondContact CG-OG 3.46Å; R346-S430 VanDerWaalsContact O-CB 3.31Å; R346-S430 WeakPolarHBondContact O-CB 3.37Å; R346-E431 IonicContact CZ-OE1 3.03Å; R346-E431 IonicContact NH1-OE1 3.94Å; R346-E431 PolarHBondContact NH1-OE1 2.69Å |
| 347 | L | 98.2 | Very high | 98.1 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.4 | 178.9 | 55.9 | 0 | 0 | 0 | 111.4 | G264 P344 E345 L350 R351 | G264-L347 WeakPolarHBondContact O-CD1 3.42Å; P344-L347 PolarHBondContact O-N 3.36Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-L347 PolarHBondContact O-N 3.44Å; L347-L350 HydrophobicContact CD1-CD2 4.41Å; L347-L350 PolarHBondContact O-N 3.42Å; L347-R351 WeakPolarHBondContact O-CG 3.4Å; L347-R351 PolarHBondContact O-N 2.9Å |
| 348 | A | 98 | Very high | 98 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P344 E345 R351 R352 | P344-A348 PolarHBondContact O-N 2.87Å; E345-A348 CarbonylContact O-C 3.59Å; E345-A348 WeakPolarHBondContact O-CB 3.33Å; E345-A348 PolarHBondContact O-N 2.87Å; E345-A348 VanDerWaalsContact O-N 3.14Å; A348-R351 PolarHBondContact O-N 3.42Å; A348-R352 WeakPolarHBondContact O-CB 3.39Å; A348-R352 PolarHBondContact O-N 2.88Å |
| 349 | R | 98.2 | Very high | 97.9 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 173.5 | -71 | -167.1 | -52.7 | -84.6 | 6.6 | 111.4 | D343 E345 R346 R351 R352 N353 S430 E431 | D343-R349 IonicContact OD1-NH1 3.89Å; D343-R349 IonicContact OD2-NH2 3.88Å; E345-R349 HydrophobicContact CG-CG 4.32Å; E345-R349 WeakPolarHBondContact O-CG 3.26Å; E345-R349 PolarHBondContact O-N 3.18Å; R346-R349 PolarHBondContact O-N 3.23Å; R349-R351 VanDerWaalsContact C-N 3.29Å; R349-R351 PolarHBondContact O-N 3.16Å; R349-R352 WeakPolarHBondContact O-CB 3.28Å; R349-R352 PolarHBondContact O-N 3.48Å; R349-R352 VanDerWaalsContact O-N 3.12Å; R349-N353 WeakPolarHBondContact O-CB 3.5Å; R349-N353 VanDerWaalsContact O-CG 3.31Å; R349-N353 PolarHBondContact O-N 2.91Å; R349-N353 PolarHBondContact O-OD1 3.31Å; R349-S430 PolarHBondContact NE-O 3.15Å; R349-E431 IonicContact NH2-OE1 2.69Å; R349-E431 PolarHBondContact NH2-OE1 2.97Å |
| 350 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.4 | -47.2 | 176.3 | 178.4 | 61.2 | 0 | 0 | 0 | 111.8 | F92 L93 V265 R346 L347 N353 S354 P376 L428 | F92-L350 HydrophobicContact CB-CD1 4.25Å; F92-L350 HydrophobicContact CB-CD2 3.81Å; F92-L350 VanDerWaalsContact O-CD1 3.28Å; F92-L350 WeakPolarHBondContact O-CD1 3.38Å; L93-L350 HydrophobicContact CD2-CB 4.27Å; L93-L350 HydrophobicContact CD2-CD2 3.65Å; V265-L350 HydrophobicContact CG2-CD2 4.18Å; R346-L350 PolarHBondContact O-N 3.03Å; L347-L350 HydrophobicContact CD1-CD2 4.41Å; L347-L350 PolarHBondContact O-N 3.42Å; L350-N353 PolarHBondContact O-N 3.38Å; L350-S354 VanDerWaalsContact O-CB 3.3Å; L350-S354 WeakPolarHBondContact O-CB 3.09Å; L350-S354 PolarHBondContact O-N 3.41Å; L350-S354 PolarHBondContact O-OG 3.14Å; L350-P376 HydrophobicContact CD1-CB 3.64Å; L350-P376 HydrophobicContact CD1-CG 4.3Å; L350-P376 HydrophobicContact CD2-CB 4.48Å; L350-P376 HydrophobicContact CD2-CG 4.25Å; L350-P376 HydrophobicContact CG-CB 4.25Å; L350-L428 WeakPolarHBondContact CD1-O 3.44Å |
| 351 | R | 98 | Very high | 97.6 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.4 | -74.8 | 177 | 175.2 | 146.1 | 12.9 | 112.9 | V265 G267 L347 A348 R349 S355 | V265-R351 PolarHBondContact O-NH2 2.87Å; G267-R351 PolarHBondContact O-NH1 3.49Å; G267-R351 PolarHBondContact O-NH2 3.35Å; L347-R351 WeakPolarHBondContact O-CG 3.4Å; L347-R351 PolarHBondContact O-N 2.9Å; A348-R351 PolarHBondContact O-N 3.42Å; R349-R351 VanDerWaalsContact C-N 3.29Å; R349-R351 PolarHBondContact O-N 3.16Å; R351-S355 VanDerWaalsContact O-CB 3.3Å; R351-S355 WeakPolarHBondContact O-CB 3.21Å; R351-S355 PolarHBondContact O-N 3.22Å; R351-S355 PolarHBondContact O-OG 3.43Å |
| 352 | R | 98.2 | Very high | 97.3 | Very high | 131 Ų | 131 | 54.3 Ų | 54.3 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -52.1 | 177.1 | -170.6 | -174.1 | -56.9 | 141.3 | 9.1 | 109.9 | E345 A348 R349 S354 S355 I356 | E345-R352 IonicContact OE1-CZ 3.23Å; E345-R352 IonicContact OE1-NH1 2.78Å; E345-R352 IonicContact OE1-NH2 3.25Å; E345-R352 PolarHBondContact OE1-NH2 3.41Å; A348-R352 WeakPolarHBondContact O-CB 3.39Å; A348-R352 PolarHBondContact O-N 2.88Å; R349-R352 WeakPolarHBondContact O-CB 3.28Å; R349-R352 PolarHBondContact O-N 3.48Å; R349-R352 VanDerWaalsContact O-N 3.12Å; R352-S354 VanDerWaalsContact C-N 3.34Å; R352-S354 PolarHBondContact O-N 3.04Å; R352-S355 PolarHBondContact O-N 3.39Å; R352-I356 HydrophobicContact CG-CD1 4.02Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.41Å; R352-I356 PolarHBondContact O-N 3.33Å |
| 353 | N | 98.6 | Very high | 96.8 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.4 | -48.3 | 177.7 | -71 | 0.7 | 0 | 0 | 0 | 111.4 | R349 L350 S355 I356 F357 S429 H432 I437 | R349-N353 WeakPolarHBondContact O-CB 3.5Å; R349-N353 VanDerWaalsContact O-CG 3.31Å; R349-N353 PolarHBondContact O-N 2.91Å; R349-N353 PolarHBondContact O-OD1 3.31Å; L350-N353 PolarHBondContact O-N 3.38Å; N353-S355 PolarHBondContact O-N 3.36Å; N353-I356 PolarHBondContact O-N 3.44Å; N353-F357 WeakPolarHBondContact O-CB 3.4Å; N353-F357 PolarHBondContact O-N 2.97Å; N353-S429 PolarHBondContact ND2-O 2.8Å; N353-H432 PolarHBondContact ND2-O 2.71Å; N353-I437 HydrophobicContact CB-CD1 3.6Å |
| 354 | S | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | L350 R352 H358 S375 P376 F378 | L350-S354 VanDerWaalsContact O-CB 3.3Å; L350-S354 WeakPolarHBondContact O-CB 3.09Å; L350-S354 PolarHBondContact O-N 3.41Å; L350-S354 PolarHBondContact O-OG 3.14Å; R352-S354 VanDerWaalsContact C-N 3.34Å; R352-S354 PolarHBondContact O-N 3.04Å; S354-H358 WeakPolarHBondContact O-CB 3.48Å; S354-H358 PolarHBondContact O-N 3.45Å; S354-S375 WeakPolarHBondContact CB-O 3.48Å; S354-P376 VanDerWaalsContact OG-CA 3.28Å; S354-P376 WeakPolarHBondContact OG-CA 3.46Å; S354-F378 WeakPolarHBondContact O-CZ 3.42Å |
| 355 | S | 97.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | R351 R352 N353 K359 G374 | R351-S355 VanDerWaalsContact O-CB 3.3Å; R351-S355 WeakPolarHBondContact O-CB 3.21Å; R351-S355 PolarHBondContact O-N 3.22Å; R351-S355 PolarHBondContact O-OG 3.43Å; R352-S355 PolarHBondContact O-N 3.39Å; N353-S355 PolarHBondContact O-N 3.36Å; S355-K359 VanDerWaalsContact O-CB 3.29Å; S355-K359 WeakPolarHBondContact O-CB 3.3Å; S355-K359 PolarHBondContact O-N 3.05Å; S355-G374 PolarHBondContact OG-N 2.99Å |
| 356 | I | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 175.4 | -71.6 | 168.7 | 0 | 0 | 0 | 109.9 | R352 N353 K359 A360 M434 | R352-I356 HydrophobicContact CG-CD1 4.02Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.41Å; R352-I356 PolarHBondContact O-N 3.33Å; N353-I356 PolarHBondContact O-N 3.44Å; I356-K359 PolarHBondContact O-N 3.13Å; I356-A360 PolarHBondContact O-N 3.22Å; I356-M434 HydrophobicContact CD1-CE 4.43Å; I356-M434 HydrophobicContact CD1-SD 3.82Å; I356-M434 HydrophobicContact CG2-CE 3.62Å; I356-M434 HydrophobicContact CG2-SD 3.8Å |
| 357 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.3 | -52.9 | 177.7 | -178.2 | -96.2 | 0 | 0 | 0 | 110.8 | N353 K359 A360 M361 F378 I426 L428 I437 L440 L441 I444 | N353-F357 WeakPolarHBondContact O-CB 3.4Å; N353-F357 PolarHBondContact O-N 2.97Å; F357-K359 VanDerWaalsContact C-N 3.28Å; F357-K359 PolarHBondContact O-N 3.01Å; F357-A360 PolarHBondContact O-N 3.3Å; F357-A360 VanDerWaalsContact O-N 3.13Å; F357-M361 HydrophobicContact CD1-CG 3.93Å; F357-M361 HydrophobicContact CD2-CG 4.16Å; F357-M361 HydrophobicContact CE1-CE 4.25Å; F357-M361 HydrophobicContact CE1-CG 3.64Å; F357-M361 HydrophobicContact CE1-SD 4.34Å; F357-M361 HydrophobicContact CE2-CE 4.44Å; F357-M361 HydrophobicContact CE2-CG 3.87Å; F357-M361 HydrophobicContact CE2-SD 3.87Å; F357-M361 HydrophobicContact CG-CG 4.19Å; F357-M361 HydrophobicContact CZ-CE 3.74Å; F357-M361 HydrophobicContact CZ-CG 3.61Å; F357-M361 HydrophobicContact CZ-SD 3.72Å; F357-M361 WeakPolarHBondContact O-CB 3.04Å; F357-M361 WeakPolarHBondContact O-CG 3.29Å; F357-M361 PolarHBondContact O-N 2.99Å; F357-F378 HydrophobicContact CD1-CD1 4.37Å; F357-F378 AromaticContact CD1-CD2 3.48Å; F357-F378 HydrophobicContact CD1-CD2 3.48Å; F357-F378 VanDerWaalsContact CD1-CD2 3.48Å; F357-F378 HydrophobicContact CD1-CE1 4.46Å; F357-F378 AromaticContact CD1-CE2 3.56Å; F357-F378 HydrophobicContact CD1-CE2 3.56Å; F357-F378 AromaticContact CD1-CG 3.91Å; F357-F378 HydrophobicContact CD1-CG 3.91Å; F357-F378 HydrophobicContact CD1-CZ 4.06Å; F357-F378 HydrophobicContact CE1-CB 4.01Å; F357-F378 HydrophobicContact CE1-CD1 4.42Å; F357-F378 AromaticContact CE1-CD2 3.62Å; F357-F378 HydrophobicContact CE1-CD2 3.62Å; F357-F378 HydrophobicContact CE1-CE2 4.19Å; F357-F378 AromaticContact CE1-CG 3.74Å; F357-F378 HydrophobicContact CE1-CG 3.74Å; F357-F378 HydrophobicContact CG-CE2 4.47Å; F357-I426 HydrophobicContact CE1-CG2 4.26Å; F357-I426 HydrophobicContact CE2-CG2 4.44Å; F357-I426 HydrophobicContact CZ-CD1 3.94Å; F357-I426 HydrophobicContact CZ-CG2 3.89Å; F357-L428 HydrophobicContact CB-CD1 4.25Å; F357-L428 HydrophobicContact CB-CD2 4.38Å; F357-L428 HydrophobicContact CB-CG 4.26Å; F357-L428 HydrophobicContact CD1-CD2 3.9Å; F357-L428 HydrophobicContact CD2-CD1 4.47Å; F357-L428 HydrophobicContact CE1-CD2 4.33Å; F357-L428 HydrophobicContact CG-CD1 4.33Å; F357-L428 HydrophobicContact CG-CD2 4.03Å; F357-L428 HydrophobicContact CG-CG 4.39Å; F357-I437 HydrophobicContact CB-CG2 4.36Å; F357-I437 HydrophobicContact CD2-CG2 4.28Å; F357-L440 HydrophobicContact CD2-CD2 4.31Å; F357-L440 HydrophobicContact CE2-CD2 3.62Å; F357-L440 HydrophobicContact CE2-CG 4.22Å; F357-L440 HydrophobicContact CZ-CD2 4.32Å; F357-L441 HydrophobicContact CD2-CD2 3.75Å; F357-L441 HydrophobicContact CD2-CG 4.34Å; F357-L441 HydrophobicContact CE2-CD2 3.84Å; F357-I444 HydrophobicContact CE2-CD1 4.15Å; F357-I444 HydrophobicContact CZ-CD1 4.21Å |
| 358 | H | 97.5 | Very high | 95.4 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.2 | -45 | 178.4 | 177.5 | -93.6 | 0 | 0 | 0 | 112.2 | S354 M361 Q362 F378 | S354-H358 WeakPolarHBondContact O-CB 3.48Å; S354-H358 PolarHBondContact O-N 3.45Å; H358-M361 PolarHBondContact O-N 2.91Å; H358-Q362 PolarHBondContact CE1-NE2 2.98Å; H358-Q362 VanDerWaalsContact CE1-NE2 3.34Å; H358-Q362 PolarHBondContact NE2-NE2 3.42Å; H358-Q362 WeakPolarHBondContact O-CG 3.41Å; H358-Q362 PolarHBondContact O-NE2 2.73Å; H358-F378 HydrophobicContact CB-CE1 3.73Å; H358-F378 HydrophobicContact CB-CZ 3.87Å; H358-F378 AromaticContact CD2-CE1 3.77Å |
| 359 | K | 96.8 | Very high | 95.2 | Very high | 162 Ų | 162 | 59 Ų | 59 | 70% | 0.704 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 179.3 | -177 | -178.8 | 177.8 | -175.9 | 0 | 112.4 | S355 I356 F357 M361 Q362 | S355-K359 VanDerWaalsContact O-CB 3.29Å; S355-K359 WeakPolarHBondContact O-CB 3.3Å; S355-K359 PolarHBondContact O-N 3.05Å; I356-K359 PolarHBondContact O-N 3.13Å; F357-K359 VanDerWaalsContact C-N 3.28Å; F357-K359 PolarHBondContact O-N 3.01Å; K359-M361 PolarHBondContact O-N 2.95Å; K359-Q362 PolarHBondContact O-N 3.21Å |
| 360 | A | 95.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 57.4 Ų | 57.4 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -33.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | I356 F357 Q362 L441 | I356-A360 PolarHBondContact O-N 3.22Å; F357-A360 PolarHBondContact O-N 3.3Å; F357-A360 VanDerWaalsContact O-N 3.13Å; A360-Q362 VanDerWaalsContact C-N 3.31Å; A360-Q362 PolarHBondContact O-N 2.89Å; A360-L441 HydrophobicContact CB-CD1 3.54Å; A360-L441 HydrophobicContact CB-CD2 3.66Å; A360-L441 HydrophobicContact CB-CG 4.24Å |
| 361 | M | 94.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -79 | -7.1 | -175.7 | -66.8 | -67.1 | -70.5 | 0 | 0 | 114.4 | F357 H358 K359 N363 L364 V369 L380 L441 I444 | F357-M361 HydrophobicContact CD1-CG 3.93Å; F357-M361 HydrophobicContact CD2-CG 4.16Å; F357-M361 HydrophobicContact CE1-CE 4.25Å; F357-M361 HydrophobicContact CE1-CG 3.64Å; F357-M361 HydrophobicContact CE1-SD 4.34Å; F357-M361 HydrophobicContact CE2-CE 4.44Å; F357-M361 HydrophobicContact CE2-CG 3.87Å; F357-M361 HydrophobicContact CE2-SD 3.87Å; F357-M361 HydrophobicContact CG-CG 4.19Å; F357-M361 HydrophobicContact CZ-CE 3.74Å; F357-M361 HydrophobicContact CZ-CG 3.61Å; F357-M361 HydrophobicContact CZ-SD 3.72Å; F357-M361 WeakPolarHBondContact O-CB 3.04Å; F357-M361 WeakPolarHBondContact O-CG 3.29Å; F357-M361 PolarHBondContact O-N 2.99Å; H358-M361 PolarHBondContact O-N 2.91Å; K359-M361 PolarHBondContact O-N 2.95Å; M361-N363 VanDerWaalsContact C-N 3.26Å; M361-N363 PolarHBondContact O-N 3.01Å; M361-L364 HydrophobicContact CE-CD1 3.4Å; M361-L364 VanDerWaalsContact CE-CD1 3.4Å; M361-L364 HydrophobicContact SD-CD1 3.86Å; M361-V369 HydrophobicContact CB-CB 4.46Å; M361-V369 HydrophobicContact CB-CG1 4.26Å; M361-V369 HydrophobicContact CB-CG2 3.92Å; M361-V369 HydrophobicContact CE-CG2 3.57Å; M361-L380 HydrophobicContact CE-CD1 3.5Å; M361-L380 VanDerWaalsContact CE-CD1 3.5Å; M361-L441 HydrophobicContact CG-CD2 3.93Å; M361-L441 HydrophobicContact SD-CD2 3.61Å; M361-I444 HydrophobicContact CE-CD1 3.81Å; M361-I444 HydrophobicContact CE-CG2 4.01Å; M361-I444 HydrophobicContact SD-CD1 3.86Å; M361-I444 HydrophobicContact SD-CG2 4.13Å |
| 362 | Q | 91.1 | Very high | 94.8 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -71.4 | -16.1 | -178.5 | -61.9 | -53.7 | -66.2 | 0 | 0 | 114.5 | H358 K359 A360 | H358-Q362 PolarHBondContact CE1-NE2 2.98Å; H358-Q362 VanDerWaalsContact CE1-NE2 3.34Å; H358-Q362 PolarHBondContact NE2-NE2 3.42Å; H358-Q362 WeakPolarHBondContact O-CG 3.41Å; H358-Q362 PolarHBondContact O-NE2 2.73Å; K359-Q362 PolarHBondContact O-N 3.21Å; A360-Q362 VanDerWaalsContact C-N 3.31Å; A360-Q362 PolarHBondContact O-N 2.89Å |
| 363 | N | 88.1 | Confident | 94.6 | Very high | 133 Ų | 133 | 53.4 Ų | 53.4 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -106 | 14.9 | -172.8 | -59.7 | -49.5 | 0 | 0 | 0 | 113.6 | M361 | M361-N363 VanDerWaalsContact C-N 3.26Å; M361-N363 PolarHBondContact O-N 3.01Å |
| 364 | L | 91.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | trans | -72.5 | 145.6 | 176.5 | -61.9 | -179.5 | 0 | 0 | 0 | 110.8 | M361 F367 V369 L380 I444 D448 | M361-L364 HydrophobicContact CE-CD1 3.4Å; M361-L364 VanDerWaalsContact CE-CD1 3.4Å; M361-L364 HydrophobicContact SD-CD1 3.86Å; L364-F367 HydrophobicContact CB-CB 4.38Å; L364-F367 HydrophobicContact CD1-CB 4.04Å; L364-F367 HydrophobicContact CD1-CD2 4.47Å; L364-V369 HydrophobicContact CD1-CG2 4.02Å; L364-L380 HydrophobicContact CD1-CD1 3.91Å; L364-I444 HydrophobicContact CD1-CG2 3.79Å; L364-I444 HydrophobicContact CD2-CG2 4.1Å; L364-D448 HydrophobicContact CD2-CB 3.99Å | ||
| 365 | N | 90.2 | Very high | 94.2 | Very high | 127 Ų | 127 | 53.3 Ų | 53.3 | 68% | 0.679 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -102.9 | -38.7 | -175.6 | -58.2 | -75.5 | 0 | 0 | 0 | 112.6 | D448 | N365-D448 PolarHBondContact N-OD1 3.4Å; N365-D448 VanDerWaalsContact N-OD1 3.11Å; N365-D448 PolarHBondContact N-OD2 3.32Å; N365-D448 PolarHBondContact ND2-OD2 3.39Å |
| 366 | R | 91.5 | Very high | 94.2 | Very high | 73 Ų | 73 | 51 Ų | 51 | 28% | 0.275 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -94.7 | -22.7 | -177.1 | -59.8 | -173.9 | 66.1 | -174 | -2.5 | 112.4 | P383 L391 D448 A450 | R366-P383 WeakPolarHBondContact O-CD 3.43Å; R366-L391 HydrophobicContact CB-CD2 4.05Å; R366-D448 WeakPolarHBondContact CA-OD1 3.3Å; R366-D448 WeakPolarHBondContact CB-OD1 3.3Å; R366-D448 WeakPolarHBondContact CD-O 3.42Å; R366-D448 VanDerWaalsContact CG-O 3.3Å; R366-D448 WeakPolarHBondContact CG-O 3.29Å; R366-D448 PolarHBondContact N-OD1 3.05Å; R366-A450 PolarHBondContact NH1-OXT 3.36Å |
| 367 | F | 93 | Very high | 94.3 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | trans | -110.2 | 144 | 178.2 | -58.2 | -76.6 | 0 | 0 | 0 | 112.7 | L364 L380 R381 V382 L391 L392 L395 V447 D448 | L364-F367 HydrophobicContact CB-CB 4.38Å; L364-F367 HydrophobicContact CD1-CB 4.04Å; L364-F367 HydrophobicContact CD1-CD2 4.47Å; F367-L380 HydrophobicContact CB-CD1 3.41Å; F367-L380 VanDerWaalsContact CB-CD1 3.41Å; F367-L380 HydrophobicContact CB-CD2 4.35Å; F367-L380 HydrophobicContact CB-CG 3.81Å; F367-L380 HydrophobicContact CD1-CD1 4.27Å; F367-L380 HydrophobicContact CD1-CD2 3.76Å; F367-L380 HydrophobicContact CD1-CG 3.69Å; F367-L380 HydrophobicContact CD2-CD2 4.23Å; F367-L380 HydrophobicContact CE1-CD2 4.03Å; F367-L380 HydrophobicContact CE1-CG 4.4Å; F367-L380 HydrophobicContact CE2-CD2 4.48Å; F367-L380 HydrophobicContact CG-CD1 3.86Å; F367-L380 HydrophobicContact CG-CD2 3.86Å; F367-L380 HydrophobicContact CG-CG 3.79Å; F367-L380 HydrophobicContact CZ-CD2 4.37Å; F367-R381 CarbonylContact C-O 3.57Å; F367-R381 VanDerWaalsContact CA-O 3.28Å; F367-R381 WeakPolarHBondContact CA-O 3.44Å; F367-V382 HydrophobicContact CD1-CG2 4.26Å; F367-V382 HydrophobicContact CE1-CG2 4.26Å; F367-L391 HydrophobicContact CD1-CD2 4.37Å; F367-L391 HydrophobicContact CE1-CD2 3.76Å; F367-L391 HydrophobicContact CE1-CG 3.67Å; F367-L391 HydrophobicContact CZ-CD1 3.99Å; F367-L391 HydrophobicContact CZ-CD2 3.86Å; F367-L391 HydrophobicContact CZ-CG 3.63Å; F367-L392 HydrophobicContact CD1-CD2 4.49Å; F367-L392 HydrophobicContact CE1-CD2 4.18Å; F367-L395 HydrophobicContact CE1-CD2 4.36Å; F367-L395 HydrophobicContact CE2-CD2 4.42Å; F367-L395 HydrophobicContact CZ-CB 4.44Å; F367-L395 HydrophobicContact CZ-CD2 3.99Å; F367-V447 HydrophobicContact CE2-CG1 4.33Å; F367-V447 HydrophobicContact CZ-CG1 4.11Å; F367-D448 HydrophobicContact CD2-CB 4.09Å; F367-D448 WeakPolarHBondContact CD2-OD1 3.49Å; F367-D448 HydrophobicContact CE2-CB 4.19Å; F367-D448 PolarHBondContact N-OD1 3.25Å | ||
| 368 | K | 92.3 | Very high | 94.3 | Very high | 115 Ų | 115 | 48.5 Ų | 48.5 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.3 | 162.8 | -175.2 | -173.4 | -176.9 | -130.6 | 0 | 109 | D370 R381 P383 | K368-D370 VanDerWaalsContact CE-OD1 3.32Å; K368-D370 WeakPolarHBondContact CE-OD1 3.47Å; K368-D370 IonicContact NZ-OD1 3.48Å; K368-D370 PolarHBondContact NZ-OD1 3.43Å; K368-R381 PolarHBondContact N-O 3Å; K368-R381 PolarHBondContact O-N 3.32Å; K368-P383 HydrophobicContact CB-CG 4.43Å |
| 369 | V | 94.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.8 | 179.1 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | M361 L364 F378 H379 L380 | M361-V369 HydrophobicContact CB-CB 4.46Å; M361-V369 HydrophobicContact CB-CG1 4.26Å; M361-V369 HydrophobicContact CB-CG2 3.92Å; M361-V369 HydrophobicContact CE-CG2 3.57Å; L364-V369 HydrophobicContact CD1-CG2 4.02Å; V369-F378 HydrophobicContact CG1-CB 4.38Å; V369-F378 HydrophobicContact CG1-CD1 4.16Å; V369-H379 WeakPolarHBondContact CA-O 3.4Å; V369-L380 HydrophobicContact CG2-CD1 3.47Å; V369-L380 VanDerWaalsContact CG2-CD1 3.47Å |
| 370 | D | 95.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 146.2 | 167.7 | -54 | -46.2 | 0 | 0 | 0 | 109.5 | Y235 K368 F378 H379 R381 | Y235-D370 CarbonylContact O-C 3.51Å; Y235-D370 WeakPolarHBondContact O-CB 3.32Å; K368-D370 VanDerWaalsContact CE-OD1 3.32Å; K368-D370 WeakPolarHBondContact CE-OD1 3.47Å; K368-D370 IonicContact NZ-OD1 3.48Å; K368-D370 PolarHBondContact NZ-OD1 3.43Å; D370-F378 CarbonylContact O-C 3.59Å; D370-F378 VanDerWaalsContact O-CA 3.29Å; D370-F378 WeakPolarHBondContact O-CA 3.4Å; D370-H379 HydrophobicContact CB-CB 4.3Å; D370-H379 PolarHBondContact N-O 3.46Å; D370-H379 PolarHBondContact O-N 3.2Å; D370-R381 WeakPolarHBondContact OD2-CD 3.34Å; D370-R381 IonicContact OD2-CZ 3.1Å; D370-R381 IonicContact OD2-NE 3.25Å; D370-R381 PolarHBondContact OD2-NE 3.47Å |
| 371 | G | 95.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | trans | 132.3 | 164.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y235 | Y235-G371 PolarHBondContact O-N 2.86Š| ||
| 372 | V | 95.4 | Very high | 94 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | trans | -121.4 | 151.5 | -177.6 | -61.4 | 0 | 0 | 0 | 0 | 112 | I238 G374 S375 | I238-V372 HydrophobicContact CD1-CG2 3.7Å; I238-V372 HydrophobicContact CG1-CG2 3.83Å; V372-G374 PolarHBondContact O-N 2.76Å; V372-S375 WeakPolarHBondContact O-CB 3.31Å; V372-S375 PolarHBondContact O-N 3.28Å | ||
| 373 | A | 93.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 49% | 0.488 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S375 | A373-S375 VanDerWaalsContact C-N 3.3Å; A373-S375 PolarHBondContact O-N 2.82Å |
| 374 | G | 91.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S355 V372 | S355-G374 PolarHBondContact OG-N 2.99Å; V372-G374 PolarHBondContact O-N 2.76Å |
| 375 | S | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -89.7 | 136 | 166.1 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | I231 S354 V372 A373 L377 F378 | I231-S375 WeakPolarHBondContact CD1-OG 3.33Å; S354-S375 WeakPolarHBondContact CB-O 3.48Å; V372-S375 WeakPolarHBondContact O-CB 3.31Å; V372-S375 PolarHBondContact O-N 3.28Å; A373-S375 VanDerWaalsContact C-N 3.3Å; A373-S375 PolarHBondContact O-N 2.82Å; S375-L377 VanDerWaalsContact C-N 3.3Å; S375-L377 PolarHBondContact O-N 3.21Å; S375-F378 WeakPolarHBondContact O-CE2 3.44Å; S375-F378 WeakPolarHBondContact O-CZ 3.49Å | ||
| 376 | P | 98 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -82 | -5.9 | -176.4 | 34.9 | -37.5 | 0 | 0 | 0 | 114 | F92 V265 L350 S354 S427 L428 | F92-P376 HydrophobicContact CB-CG 4.23Å; F92-P376 HydrophobicContact CD1-CB 3.75Å; F92-P376 HydrophobicContact CD1-CG 3.52Å; F92-P376 HydrophobicContact CD2-CG 4Å; F92-P376 HydrophobicContact CE1-CB 4.1Å; F92-P376 HydrophobicContact CE1-CG 3.73Å; F92-P376 HydrophobicContact CE2-CG 4.19Å; F92-P376 HydrophobicContact CG-CB 4.25Å; F92-P376 HydrophobicContact CG-CG 3.67Å; F92-P376 HydrophobicContact CZ-CG 4.07Å; V265-P376 HydrophobicContact CG1-CG 3.99Å; V265-P376 HydrophobicContact CG2-CG 3.98Å; L350-P376 HydrophobicContact CD1-CB 3.64Å; L350-P376 HydrophobicContact CD1-CG 4.3Å; L350-P376 HydrophobicContact CD2-CB 4.48Å; L350-P376 HydrophobicContact CD2-CG 4.25Å; L350-P376 HydrophobicContact CG-CB 4.25Å; S354-P376 VanDerWaalsContact OG-CA 3.28Å; S354-P376 WeakPolarHBondContact OG-CA 3.46Å; P376-S427 CarbonylContact O-C 3.52Å; P376-S427 VanDerWaalsContact O-CA 3.27Å; P376-S427 WeakPolarHBondContact O-CA 3.38Å; P376-L428 HydrophobicContact CB-CB 4.16Å; P376-L428 WeakPolarHBondContact CB-O 3.39Å; P376-L428 PolarHBondContact O-N 2.9Å |
| 377 | L | 98.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.8 | -176.7 | -179.1 | 65.1 | 0 | 0 | 0 | 110.6 | I231 L233 V261 S375 K425 | I231-L377 HydrophobicContact CG2-CD2 4.34Å; L233-L377 HydrophobicContact CD1-CD2 4.23Å; V261-L377 HydrophobicContact CG1-CB 4.25Å; V261-L377 HydrophobicContact CG1-CD2 3.78Å; V261-L377 HydrophobicContact CG2-CD2 4.48Å; S375-L377 VanDerWaalsContact C-N 3.3Å; S375-L377 PolarHBondContact O-N 3.21Å; L377-K425 HydrophobicContact CD1-CD 3.8Å; L377-K425 HydrophobicContact CD1-CG 3.54Å |
| 378 | F | 98.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.3 | 177.1 | -56.7 | -81.7 | 0 | 0 | 0 | 111.3 | S354 F357 H358 V369 D370 S375 I426 L428 | S354-F378 WeakPolarHBondContact O-CZ 3.42Å; F357-F378 HydrophobicContact CD1-CD1 4.37Å; F357-F378 AromaticContact CD1-CD2 3.48Å; F357-F378 HydrophobicContact CD1-CD2 3.48Å; F357-F378 VanDerWaalsContact CD1-CD2 3.48Å; F357-F378 HydrophobicContact CD1-CE1 4.46Å; F357-F378 AromaticContact CD1-CE2 3.56Å; F357-F378 HydrophobicContact CD1-CE2 3.56Å; F357-F378 AromaticContact CD1-CG 3.91Å; F357-F378 HydrophobicContact CD1-CG 3.91Å; F357-F378 HydrophobicContact CD1-CZ 4.06Å; F357-F378 HydrophobicContact CE1-CB 4.01Å; F357-F378 HydrophobicContact CE1-CD1 4.42Å; F357-F378 AromaticContact CE1-CD2 3.62Å; F357-F378 HydrophobicContact CE1-CD2 3.62Å; F357-F378 HydrophobicContact CE1-CE2 4.19Å; F357-F378 AromaticContact CE1-CG 3.74Å; F357-F378 HydrophobicContact CE1-CG 3.74Å; F357-F378 HydrophobicContact CG-CE2 4.47Å; H358-F378 HydrophobicContact CB-CE1 3.73Å; H358-F378 HydrophobicContact CB-CZ 3.87Å; H358-F378 AromaticContact CD2-CE1 3.77Å; V369-F378 HydrophobicContact CG1-CB 4.38Å; V369-F378 HydrophobicContact CG1-CD1 4.16Å; D370-F378 CarbonylContact O-C 3.59Å; D370-F378 VanDerWaalsContact O-CA 3.29Å; D370-F378 WeakPolarHBondContact O-CA 3.4Å; S375-F378 WeakPolarHBondContact O-CE2 3.44Å; S375-F378 WeakPolarHBondContact O-CZ 3.49Å; F378-I426 HydrophobicContact CB-CB 4.44Å; F378-I426 PolarHBondContact N-O 3.03Å; F378-I426 PolarHBondContact O-N 2.89Å; F378-L428 HydrophobicContact CD2-CD2 3.48Å; F378-L428 VanDerWaalsContact CD2-CD2 3.48Å; F378-L428 HydrophobicContact CE2-CD2 3.49Å; F378-L428 VanDerWaalsContact CE2-CD2 3.49Å; F378-L428 HydrophobicContact CE2-CG 4.25Å |
| 379 | H | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.8 | 172.5 | -69.1 | -92.3 | 0 | 0 | 0 | 109.6 | L233 V369 D370 R381 M409 S423 | L233-H379 PolarHBondContact O-CE1 3.45Å; L233-H379 VanDerWaalsContact O-CE1 3.25Å; L233-H379 PolarHBondContact O-NE2 2.53Å; V369-H379 WeakPolarHBondContact CA-O 3.4Å; D370-H379 HydrophobicContact CB-CB 4.3Å; D370-H379 PolarHBondContact N-O 3.46Å; D370-H379 PolarHBondContact O-N 3.2Å; H379-R381 HydrophobicContact CB-CG 4.39Å; H379-R381 PolarHBondContact ND1-NH2 2.98Å; H379-M409 PolarHBondContact CE1-SD 3.15Å; H379-S423 PolarHBondContact ND1-OG 2.84Å |
| 380 | L | 96.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.4 | 170.3 | -163.5 | 71.5 | 0 | 0 | 0 | 108.9 | M361 L364 F367 V369 L395 S423 I424 I426 I444 | M361-L380 HydrophobicContact CE-CD1 3.5Å; M361-L380 VanDerWaalsContact CE-CD1 3.5Å; L364-L380 HydrophobicContact CD1-CD1 3.91Å; F367-L380 HydrophobicContact CB-CD1 3.41Å; F367-L380 VanDerWaalsContact CB-CD1 3.41Å; F367-L380 HydrophobicContact CB-CD2 4.35Å; F367-L380 HydrophobicContact CB-CG 3.81Å; F367-L380 HydrophobicContact CD1-CD1 4.27Å; F367-L380 HydrophobicContact CD1-CD2 3.76Å; F367-L380 HydrophobicContact CD1-CG 3.69Å; F367-L380 HydrophobicContact CD2-CD2 4.23Å; F367-L380 HydrophobicContact CE1-CD2 4.03Å; F367-L380 HydrophobicContact CE1-CG 4.4Å; F367-L380 HydrophobicContact CE2-CD2 4.48Å; F367-L380 HydrophobicContact CG-CD1 3.86Å; F367-L380 HydrophobicContact CG-CD2 3.86Å; F367-L380 HydrophobicContact CG-CG 3.79Å; F367-L380 HydrophobicContact CZ-CD2 4.37Å; V369-L380 HydrophobicContact CG2-CD1 3.47Å; V369-L380 VanDerWaalsContact CG2-CD1 3.47Å; L380-L395 HydrophobicContact CD2-CD2 3.2Å; L380-S423 CarbonylContact O-C 3.16Å; L380-S423 WeakPolarHBondContact O-CA 3.34Å; L380-S423 VanDerWaalsContact O-CB 3.27Å; L380-S423 WeakPolarHBondContact O-CB 3.34Å; L380-I424 HydrophobicContact CB-CB 4.3Å; L380-I424 PolarHBondContact N-O 3.46Å; L380-I424 PolarHBondContact O-N 3.07Å; L380-I426 HydrophobicContact CB-CD1 4.32Å; L380-I444 HydrophobicContact CD2-CG2 4.37Å |
| 381 | R | 94 | Very high | 88.6 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.1 | -175.3 | -58.2 | -167.2 | -176.6 | -70.8 | -3.3 | 110.8 | Y234 F367 K368 D370 H379 P421 E422 S423 | Y234-R381 PolarHBondContact O-NH2 3.19Å; F367-R381 CarbonylContact C-O 3.57Å; F367-R381 VanDerWaalsContact CA-O 3.28Å; F367-R381 WeakPolarHBondContact CA-O 3.44Å; K368-R381 PolarHBondContact N-O 3Å; K368-R381 PolarHBondContact O-N 3.32Å; D370-R381 WeakPolarHBondContact OD2-CD 3.34Å; D370-R381 IonicContact OD2-CZ 3.1Å; D370-R381 IonicContact OD2-NE 3.25Å; D370-R381 PolarHBondContact OD2-NE 3.47Å; H379-R381 HydrophobicContact CB-CG 4.39Å; H379-R381 PolarHBondContact ND1-NH2 2.98Å; R381-P421 PolarHBondContact NH1-O 3.19Å; R381-E422 PolarHBondContact NH1-O 2.97Å; R381-S423 PolarHBondContact NH1-OG 3.42Å; R381-S423 VanDerWaalsContact NH1-OG 3.14Å; R381-S423 PolarHBondContact NH2-OG 3.19Å |
| 382 | V | 91.3 | Very high | 88.5 | Confident | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -94.3 | 132 | 168.8 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | F367 Q386 D388 L391 L392 | F367-V382 HydrophobicContact CD1-CG2 4.26Å; F367-V382 HydrophobicContact CE1-CG2 4.26Å; V382-Q386 HydrophobicContact CG1-CB 3.57Å; V382-Q386 HydrophobicContact CG1-CG 4.32Å; V382-D388 HydrophobicContact CB-CB 4.08Å; V382-D388 WeakPolarHBondContact CB-OD1 3.44Å; V382-D388 VanDerWaalsContact CG1-OD1 3.31Å; V382-D388 WeakPolarHBondContact CG1-OD1 3.35Å; V382-L391 HydrophobicContact CG1-CD2 4.36Å; V382-L391 HydrophobicContact CG2-CB 4.12Å; V382-L391 HydrophobicContact CG2-CD2 3.96Å; V382-L391 HydrophobicContact CG2-CG 4.33Å; V382-L392 HydrophobicContact CG2-CD2 4.08Å; V382-L392 HydrophobicContact CG2-CG 4Å |
| 383 | P | 85.1 | Confident | 88.4 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.8 | 175.3 | -23.2 | 33.5 | 0 | 0 | 0 | 111.6 | R366 K368 G385 | R366-P383 WeakPolarHBondContact O-CD 3.43Å; K368-P383 HydrophobicContact CB-CG 4.43Å; P383-G385 PolarHBondContact O-N 2.86Å |
| 384 | P | 79.9 | Confident | 88.4 | Confident | 129 Ų | 129 | 43 Ų | 43 | 84% | 0.838 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 137.1 | -179.8 | -25.9 | 33 | 0 | 0 | 0 | 113.2 | ||
| 385 | G | 73.3 | Confident | 88.6 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 88% | 0.876 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | -4.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P383 | P383-G385 PolarHBondContact O-N 2.86Š|
| 386 | Q | 70.9 | Confident | 88.5 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -99.5 | 172.4 | 167.4 | -60.3 | -173 | 18.9 | 0 | 0 | 110.7 | V382 D388 | V382-Q386 HydrophobicContact CG1-CB 3.57Å; V382-Q386 HydrophobicContact CG1-CG 4.32Å; Q386-D388 VanDerWaalsContact C-N 3.34Å; Q386-D388 PolarHBondContact O-N 3.13Å; Q386-D388 VanDerWaalsContact O-N 3.08Å |
| 387 | D | 72.6 | Confident | 88.4 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | trans | -78.7 | 85.1 | 172.9 | -177.4 | 7.4 | 0 | 0 | 0 | 109.3 | D389 R390 L391 | D387-D389 PolarHBondContact O-N 3.2Å; D387-R390 VanDerWaalsContact OD2-CB 3.28Å; D387-R390 WeakPolarHBondContact OD2-CB 3.5Å; D387-R390 IonicContact OD2-CZ 3.93Å; D387-R390 IonicContact OD2-NE 2.98Å; D387-R390 PolarHBondContact OD2-NE 3.24Å; D387-R390 IonicContact OD2-NH2 3.38Å; D387-L391 PolarHBondContact O-N 3.25Å | ||
| 388 | D | 74.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | -169.6 | -66.2 | -8.3 | 0 | 0 | 0 | 112.6 | V382 Q386 L392 | V382-D388 HydrophobicContact CB-CB 4.08Å; V382-D388 WeakPolarHBondContact CB-OD1 3.44Å; V382-D388 VanDerWaalsContact CG1-OD1 3.31Å; V382-D388 WeakPolarHBondContact CG1-OD1 3.35Å; Q386-D388 VanDerWaalsContact C-N 3.34Å; Q386-D388 PolarHBondContact O-N 3.13Å; Q386-D388 VanDerWaalsContact O-N 3.08Å; D388-L392 VanDerWaalsContact O-CG 3.32Å; D388-L392 WeakPolarHBondContact O-CG 3.33Å; D388-L392 PolarHBondContact O-N 3.25Å |
| 389 | D | 79.5 | Confident | 88.3 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | -171.6 | -79.8 | -32.7 | 0 | 0 | 0 | 111.9 | D387 L391 L392 D393 K408 | D387-D389 PolarHBondContact O-N 3.2Å; D389-L391 VanDerWaalsContact C-N 3.33Å; D389-L391 PolarHBondContact O-N 3.15Å; D389-L392 PolarHBondContact O-N 3.25Å; D389-D393 WeakPolarHBondContact O-CB 3.49Å; D389-D393 PolarHBondContact O-N 3.34Å; D389-K408 WeakPolarHBondContact OD1-CE 3.31Å; D389-K408 IonicContact OD1-NZ 2.83Å; D389-K408 PolarHBondContact OD1-NZ 3.48Å |
| 390 | R | 87.4 | Confident | 88.2 | Confident | 164 Ų | 164 | 55.8 Ų | 55.8 | 62% | 0.619 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | -176.4 | -172.4 | 171.9 | 63.5 | 119 | 7.4 | 112.5 | D387 T394 | D387-R390 VanDerWaalsContact OD2-CB 3.28Å; D387-R390 WeakPolarHBondContact OD2-CB 3.5Å; D387-R390 IonicContact OD2-CZ 3.93Å; D387-R390 IonicContact OD2-NE 2.98Å; D387-R390 PolarHBondContact OD2-NE 3.24Å; D387-R390 IonicContact OD2-NH2 3.38Å; R390-T394 WeakPolarHBondContact O-CB 3.48Å; R390-T394 PolarHBondContact O-N 2.82Å; R390-T394 PolarHBondContact O-OG1 2.98Å |
| 391 | L | 90.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.2 | -40.6 | -179.9 | -177.2 | 58.5 | 0 | 0 | 0 | 111.8 | R366 F367 V382 D387 D389 T394 L395 V447 | R366-L391 HydrophobicContact CB-CD2 4.05Å; F367-L391 HydrophobicContact CD1-CD2 4.37Å; F367-L391 HydrophobicContact CE1-CD2 3.76Å; F367-L391 HydrophobicContact CE1-CG 3.67Å; F367-L391 HydrophobicContact CZ-CD1 3.99Å; F367-L391 HydrophobicContact CZ-CD2 3.86Å; F367-L391 HydrophobicContact CZ-CG 3.63Å; V382-L391 HydrophobicContact CG1-CD2 4.36Å; V382-L391 HydrophobicContact CG2-CB 4.12Å; V382-L391 HydrophobicContact CG2-CD2 3.96Å; V382-L391 HydrophobicContact CG2-CG 4.33Å; D387-L391 PolarHBondContact O-N 3.25Å; D389-L391 VanDerWaalsContact C-N 3.33Å; D389-L391 PolarHBondContact O-N 3.15Å; L391-T394 PolarHBondContact O-N 3.15Å; L391-L395 PolarHBondContact O-N 3.39Å; L391-L395 VanDerWaalsContact O-N 3.12Å; L391-V447 HydrophobicContact CD1-CG1 3.85Å |
| 392 | L | 93.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.4 | -65.2 | 175.5 | 0 | 0 | 0 | 111 | F367 V382 D388 D389 T394 L395 I396 E422 I424 | F367-L392 HydrophobicContact CD1-CD2 4.49Å; F367-L392 HydrophobicContact CE1-CD2 4.18Å; V382-L392 HydrophobicContact CG2-CD2 4.08Å; V382-L392 HydrophobicContact CG2-CG 4Å; D388-L392 VanDerWaalsContact O-CG 3.32Å; D388-L392 WeakPolarHBondContact O-CG 3.33Å; D388-L392 PolarHBondContact O-N 3.25Å; D389-L392 PolarHBondContact O-N 3.25Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 3.5Å; L392-L395 PolarHBondContact O-N 2.96Å; L392-I396 WeakPolarHBondContact O-CG1 3.33Å; L392-I396 PolarHBondContact O-N 3.48Å; L392-E422 HydrophobicContact CD1-CB 4.22Å; L392-I424 HydrophobicContact CB-CD1 4.14Å; L392-I424 HydrophobicContact CB-CG1 4.26Å; L392-I424 HydrophobicContact CD2-CD1 3.78Å; L392-I424 HydrophobicContact CD2-CG1 3.97Å |
| 393 | D | 91.9 | Very high | 88.7 | Confident | 64 Ų | 64 | 65 Ų | 65 | 34% | 0.342 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | -179.8 | -63.3 | -13.7 | 0 | 0 | 0 | 111 | D389 L395 I396 E397 K408 | D389-D393 WeakPolarHBondContact O-CB 3.49Å; D389-D393 PolarHBondContact O-N 3.34Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 2.81Å; D393-I396 PolarHBondContact O-N 3.21Å; D393-I396 VanDerWaalsContact O-N 3.17Å; D393-E397 WeakPolarHBondContact O-CG 3.38Å; D393-E397 PolarHBondContact O-N 3.09Å; D393-K408 IonicContact OD1-NZ 3.56Å; D393-K408 PolarHBondContact OD1-NZ 3.08Å |
| 394 | T | 94.2 | Very high | 89.3 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | R390 L391 L392 K398 V447 | R390-T394 WeakPolarHBondContact O-CB 3.48Å; R390-T394 PolarHBondContact O-N 2.82Å; R390-T394 PolarHBondContact O-OG1 2.98Å; L391-T394 PolarHBondContact O-N 3.15Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 3.5Å; T394-K398 WeakPolarHBondContact O-CB 3.45Å; T394-K398 PolarHBondContact O-N 3.11Å; T394-V447 HydrophobicContact CG2-CG1 4.36Å |
| 395 | L | 96.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 177.8 | 176 | 57.8 | 0 | 0 | 0 | 112 | F367 L380 L391 L392 D393 K398 A399 L406 I424 V443 I444 V447 | F367-L395 HydrophobicContact CE1-CD2 4.36Å; F367-L395 HydrophobicContact CE2-CD2 4.42Å; F367-L395 HydrophobicContact CZ-CB 4.44Å; F367-L395 HydrophobicContact CZ-CD2 3.99Å; L380-L395 HydrophobicContact CD2-CD2 3.2Å; L391-L395 PolarHBondContact O-N 3.39Å; L391-L395 VanDerWaalsContact O-N 3.12Å; L392-L395 PolarHBondContact O-N 2.96Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 2.81Å; L395-K398 PolarHBondContact O-N 2.81Å; L395-A399 VanDerWaalsContact O-CB 3.26Å; L395-A399 WeakPolarHBondContact O-CB 3.32Å; L395-A399 PolarHBondContact O-N 2.83Å; L395-L406 HydrophobicContact CG-CD1 4.16Å; L395-I424 HydrophobicContact CB-CD1 4.01Å; L395-I424 HydrophobicContact CD2-CD1 3.62Å; L395-I424 HydrophobicContact CG-CD1 3.93Å; L395-V443 HydrophobicContact CD1-CG1 3.98Å; L395-I444 HydrophobicContact CD1-CG1 4.19Å; L395-I444 HydrophobicContact CD2-CG1 4.28Å; L395-V447 HydrophobicContact CB-CG1 4.18Å; L395-V447 HydrophobicContact CD1-CB 4.12Å; L395-V447 HydrophobicContact CD1-CG2 3.85Å |
| 396 | I | 95.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 54 Ų | 54 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 176.2 | -67 | 167.9 | 0 | 0 | 0 | 110.2 | L392 D393 K398 A399 M400 L406 K408 I424 | L392-I396 WeakPolarHBondContact O-CG1 3.33Å; L392-I396 PolarHBondContact O-N 3.48Å; D393-I396 PolarHBondContact O-N 3.21Å; D393-I396 VanDerWaalsContact O-N 3.17Å; I396-K398 PolarHBondContact O-N 3.34Å; I396-A399 PolarHBondContact O-N 3.31Å; I396-M400 HydrophobicContact CG2-SD 4.34Å; I396-M400 WeakPolarHBondContact O-CB 3.41Å; I396-M400 WeakPolarHBondContact O-CG 3.47Å; I396-M400 PolarHBondContact O-N 3.24Å; I396-L406 HydrophobicContact CG1-CB 4.33Å; I396-K408 HydrophobicContact CD1-CB 3.82Å; I396-I424 HydrophobicContact CD1-CD1 4.4Å; I396-I424 HydrophobicContact CD1-CG1 3.98Å; I396-I424 HydrophobicContact CG1-CD1 3.89Å; I396-I424 HydrophobicContact CG1-CG1 3.92Å |
| 397 | E | 94.7 | Very high | 92.3 | Very high | 127 Ų | 127 | 52 Ų | 52 | 59% | 0.593 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | 177.7 | -72.8 | 178.7 | -175.4 | 0 | 0 | 111.6 | D393 A399 M400 N401 | D393-E397 WeakPolarHBondContact O-CG 3.38Å; D393-E397 PolarHBondContact O-N 3.09Å; E397-A399 PolarHBondContact O-N 3.1Å; E397-M400 PolarHBondContact O-N 3.02Å; E397-N401 VanDerWaalsContact O-CG 3.26Å; E397-N401 PolarHBondContact O-N 3.3Å; E397-N401 PolarHBondContact O-ND2 3.41Å; E397-N401 VanDerWaalsContact O-ND2 3.15Å |
| 398 | K | 97.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 50 Ų | 50 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 177 | -178.3 | 63.1 | -176.5 | 166.9 | 0 | 111.2 | T394 L395 I396 M400 N401 E402 V443 V447 | T394-K398 WeakPolarHBondContact O-CB 3.45Å; T394-K398 PolarHBondContact O-N 3.11Å; L395-K398 PolarHBondContact O-N 2.81Å; I396-K398 PolarHBondContact O-N 3.34Å; K398-M400 PolarHBondContact O-N 2.98Å; K398-N401 WeakPolarHBondContact O-CB 3.32Å; K398-N401 PolarHBondContact O-N 3.16Å; K398-E402 HydrophobicContact CD-CG 4.48Å; K398-E402 WeakPolarHBondContact CE-OE1 3.45Å; K398-E402 IonicContact NZ-OE1 3.41Å; K398-E402 PolarHBondContact NZ-OE1 2.88Å; K398-E402 WeakPolarHBondContact O-CG 3.29Å; K398-E402 PolarHBondContact O-N 3.17Å; K398-E402 VanDerWaalsContact O-N 3.11Å; K398-V443 HydrophobicContact CG-CG1 4.06Å; K398-V447 HydrophobicContact CB-CG2 4.03Å; K398-V447 HydrophobicContact CG-CG2 3.93Å |
| 399 | A | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L395 I396 E397 N401 E402 G403 I404 L406 V443 | L395-A399 VanDerWaalsContact O-CB 3.26Å; L395-A399 WeakPolarHBondContact O-CB 3.32Å; L395-A399 PolarHBondContact O-N 2.83Å; I396-A399 PolarHBondContact O-N 3.31Å; E397-A399 PolarHBondContact O-N 3.1Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.46Å; A399-E402 CarbonylContact O-C 3.55Å; A399-E402 PolarHBondContact O-N 2.78Å; A399-E402 VanDerWaalsContact O-N 3.09Å; A399-G403 PolarHBondContact O-N 2.94Å; A399-G403 VanDerWaalsContact O-N 3.15Å; A399-I404 CarbonylContact C-O 3.59Å; A399-I404 HydrophobicContact CB-CB 4.1Å; A399-I404 HydrophobicContact CB-CG2 4.33Å; A399-I404 WeakPolarHBondContact O-CA 3.5Å; A399-I404 PolarHBondContact O-N 2.86Å; A399-I404 VanDerWaalsContact O-O 3.1Å; A399-L406 HydrophobicContact CB-CB 4.46Å; A399-L406 HydrophobicContact CB-CD1 3.6Å; A399-L406 HydrophobicContact CB-CG 3.84Å; A399-V443 HydrophobicContact CB-CG1 4.1Å |
| 400 | M | 95.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 177.1 | -76.8 | -170.5 | 60.3 | 0 | 0 | 112.8 | K82 Y84 I396 E397 K398 E402 G403 I404 | K82-M400 PolarHBondContact NZ-O 2.7Å; Y84-M400 HydrophobicContact CE1-CB 4.05Å; Y84-M400 HydrophobicContact CE1-CE 4.14Å; Y84-M400 HydrophobicContact CE1-CG 4.21Å; Y84-M400 VanDerWaalsContact CE1-O 3.32Å; Y84-M400 WeakPolarHBondContact CE1-O 3.45Å; I396-M400 HydrophobicContact CG2-SD 4.34Å; I396-M400 WeakPolarHBondContact O-CB 3.41Å; I396-M400 WeakPolarHBondContact O-CG 3.47Å; I396-M400 PolarHBondContact O-N 3.24Å; E397-M400 PolarHBondContact O-N 3.02Å; K398-M400 PolarHBondContact O-N 2.98Å; M400-E402 VanDerWaalsContact C-N 3.27Å; M400-E402 PolarHBondContact O-N 3.3Å; M400-G403 PolarHBondContact O-N 3.44Å; M400-I404 WeakPolarHBondContact CA-O 3.48Å; M400-I404 PolarHBondContact N-O 3.31Å |
| 401 | N | 96.7 | Very high | 94.1 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.5 | -39.5 | 174.5 | -73.4 | -32.2 | 0 | 0 | 0 | 111.4 | K82 E397 K398 A399 G403 | K82-N401 PolarHBondContact NZ-O 2.69Å; E397-N401 VanDerWaalsContact O-CG 3.26Å; E397-N401 PolarHBondContact O-N 3.3Å; E397-N401 PolarHBondContact O-ND2 3.41Å; E397-N401 VanDerWaalsContact O-ND2 3.15Å; K398-N401 WeakPolarHBondContact O-CB 3.32Å; K398-N401 PolarHBondContact O-N 3.16Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.46Å; N401-G403 PolarHBondContact O-N 3.21Å |
| 402 | E | 97.6 | Very high | 93.9 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 8.1 | 177.8 | -58.8 | -66.1 | 166.4 | 0 | 0 | 114 | K398 A399 M400 R439 V443 | K398-E402 HydrophobicContact CD-CG 4.48Å; K398-E402 WeakPolarHBondContact CE-OE1 3.45Å; K398-E402 IonicContact NZ-OE1 3.41Å; K398-E402 PolarHBondContact NZ-OE1 2.88Å; K398-E402 WeakPolarHBondContact O-CG 3.29Å; K398-E402 PolarHBondContact O-N 3.17Å; K398-E402 VanDerWaalsContact O-N 3.11Å; A399-E402 CarbonylContact O-C 3.55Å; A399-E402 PolarHBondContact O-N 2.78Å; A399-E402 VanDerWaalsContact O-N 3.09Å; M400-E402 VanDerWaalsContact C-N 3.27Å; M400-E402 PolarHBondContact O-N 3.3Å; E402-R439 PolarHBondContact O-NH2 3.26Å; E402-V443 HydrophobicContact CB-CG2 3.92Å; E402-V443 HydrophobicContact CG-CG2 3.87Å |
| 403 | G | 97.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 54 Ų | 54 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 33.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y84 L85 A399 M400 N401 | Y84-G403 CarbonylContact C-O 3.55Å; Y84-G403 WeakPolarHBondContact CA-O 3.36Å; L85-G403 PolarHBondContact N-O 3.41Å; A399-G403 PolarHBondContact O-N 2.94Å; A399-G403 VanDerWaalsContact O-N 3.15Å; M400-G403 PolarHBondContact O-N 3.44Å; N401-G403 PolarHBondContact O-N 3.21Å |
| 404 | I | 98.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 130.2 | 176.4 | -59.2 | -178.6 | 0 | 0 | 0 | 109 | L85 F87 A399 M400 L406 R439 L440 V443 | L85-I404 CarbonylContact O-C 3.58Å; L85-I404 WeakPolarHBondContact O-CA 3.42Å; F87-I404 HydrophobicContact CD2-CG2 3.73Å; F87-I404 HydrophobicContact CE2-CG2 4.03Å; A399-I404 CarbonylContact C-O 3.59Å; A399-I404 HydrophobicContact CB-CB 4.1Å; A399-I404 HydrophobicContact CB-CG2 4.33Å; A399-I404 WeakPolarHBondContact O-CA 3.5Å; A399-I404 PolarHBondContact O-N 2.86Å; A399-I404 VanDerWaalsContact O-O 3.1Å; M400-I404 WeakPolarHBondContact CA-O 3.48Å; M400-I404 PolarHBondContact N-O 3.31Å; I404-L406 HydrophobicContact CG2-CD2 4.4Å; I404-L406 HydrophobicContact CG2-CG 4.3Å; I404-R439 HydrophobicContact CD1-CB 4.37Å; I404-L440 HydrophobicContact CD1-CB 4.33Å; I404-L440 HydrophobicContact CG2-CD1 4.09Å; I404-V443 HydrophobicContact CD1-CG2 4.01Å |
| 405 | L | 97.5 | Very high | 93 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 115 | 174.9 | 178.6 | 66.4 | 0 | 0 | 0 | 110.2 | V77 I79 L85 F87 | V77-L405 HydrophobicContact CG2-CB 4.35Å; V77-L405 HydrophobicContact CG2-CD2 3.69Å; I79-L405 HydrophobicContact CD1-CD1 4.15Å; I79-L405 HydrophobicContact CD1-CD2 4.27Å; L85-L405 PolarHBondContact O-N 2.91Å; F87-L405 PolarHBondContact N-O 2.72Å; F87-L405 VanDerWaalsContact N-O 3.14Å |
| 406 | L | 96.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -115.4 | 147.5 | 167.7 | -64.4 | -177.3 | 0 | 0 | 0 | 109.7 | F87 L395 I396 A399 I404 I424 I426 L440 | F87-L406 HydrophobicContact CB-CD2 4Å; L395-L406 HydrophobicContact CG-CD1 4.16Å; I396-L406 HydrophobicContact CG1-CB 4.33Å; A399-L406 HydrophobicContact CB-CB 4.46Å; A399-L406 HydrophobicContact CB-CD1 3.6Å; A399-L406 HydrophobicContact CB-CG 3.84Å; I404-L406 HydrophobicContact CG2-CD2 4.4Å; I404-L406 HydrophobicContact CG2-CG 4.3Å; L406-I424 HydrophobicContact CB-CG2 3.91Å; L406-I424 HydrophobicContact CD1-CG2 4.3Å; L406-I424 HydrophobicContact CD2-CG2 4.4Å; L406-I424 HydrophobicContact CG-CG2 4.44Å; L406-I426 HydrophobicContact CD2-CD1 4.47Å; L406-I426 HydrophobicContact CD2-CG1 4.23Å; L406-L440 HydrophobicContact CD1-CD1 4.14Å; L406-L440 HydrophobicContact CD2-CD1 3.9Å; L406-L440 HydrophobicContact CG-CD1 4.41Å | ||
| 407 | T | 91.4 | Very high | 92.8 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.9 | -178.2 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | G88 K425 | G88-T407 WeakPolarHBondContact CA-OG1 3.29Å; T407-K425 PolarHBondContact O-N 2.85Å |
| 408 | K | 91 | Very high | 92.8 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 21% | 0.213 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.8 | 168 | -161.7 | 169.5 | -175.4 | 169.7 | 0 | 109.8 | D389 D393 I396 S410 E422 S423 | D389-K408 WeakPolarHBondContact OD1-CE 3.31Å; D389-K408 IonicContact OD1-NZ 2.83Å; D389-K408 PolarHBondContact OD1-NZ 3.48Å; D393-K408 IonicContact OD1-NZ 3.56Å; D393-K408 PolarHBondContact OD1-NZ 3.08Å; I396-K408 HydrophobicContact CD1-CB 3.82Å; K408-S410 PolarHBondContact O-N 3.24Å; K408-S410 VanDerWaalsContact O-N 3.08Å; K408-E422 VanDerWaalsContact CE-OE2 3.27Å; K408-E422 WeakPolarHBondContact CE-OE2 3.25Å; K408-S423 WeakPolarHBondContact CA-O 3.38Å |
| 409 | M | 90 | Very high | 92.4 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -70.1 | 105.8 | 175.5 | -175.4 | 172 | 71.5 | 0 | 0 | 109.5 | Y234 H379 I420 S423 K425 | Y234-M409 HydrophobicContact CD1-CE 3.98Å; Y234-M409 HydrophobicContact CD1-SD 3.54Å; Y234-M409 VanDerWaalsContact CD1-SD 3.54Å; Y234-M409 HydrophobicContact CE1-SD 4.2Å; Y234-M409 HydrophobicContact CG-CE 4.4Å; Y234-M409 HydrophobicContact CG-SD 4.45Å; H379-M409 PolarHBondContact CE1-SD 3.15Å; M409-I420 HydrophobicContact CE-CG2 3.39Å; M409-S423 PolarHBondContact N-O 3.03Å; M409-K425 HydrophobicContact CB-CB 4.38Å | ||
| 410 | S | 84.4 | Confident | 92 | Very high | 110 Ų | 110 | 61.6 Ų | 61.6 | 77% | 0.769 | 33% | 0.334 | S | S | * | . | trans | -92 | 139.3 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | K408 | K408-S410 PolarHBondContact O-N 3.24Å; K408-S410 VanDerWaalsContact O-N 3.08Å | ||
| 411 | T | 86.4 | Confident | 91.7 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | trans | -127.8 | 156.9 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | K413 I420 | T411-K413 VanDerWaalsContact C-N 3.28Å; T411-K413 PolarHBondContact O-N 2.82Å; T411-K413 VanDerWaalsContact O-N 3.12Å; T411-I420 HydrophobicContact CG2-CB 4.1Å; T411-I420 HydrophobicContact CG2-CD1 3.5Å; T411-I420 HydrophobicContact CG2-CG1 4.41Å; T411-I420 HydrophobicContact CG2-CG2 4.23Å | ||
| 412 | L | 87.1 | Confident | 91.4 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | trans | -86.7 | 72.8 | 173.3 | -68.5 | 176.2 | 0 | 0 | 0 | 108.9 | F177 S414 Q415 E416 | F177-L412 HydrophobicContact CE1-CD1 4.26Å; F177-L412 HydrophobicContact CE2-CB 4.3Å; F177-L412 HydrophobicContact CE2-CD1 4.2Å; F177-L412 HydrophobicContact CZ-CD1 3.68Å; L412-S414 PolarHBondContact O-N 2.96Å; L412-Q415 HydrophobicContact CB-CB 4.14Å; L412-Q415 WeakPolarHBondContact O-CA 3.43Å; L412-Q415 PolarHBondContact O-N 3.36Å; L412-E416 WeakPolarHBondContact O-CG 3.26Å; L412-E416 PolarHBondContact O-N 2.99Å | ||
| 413 | K | 85.7 | Confident | 91.3 | Very high | 138 Ų | 138 | 53.9 Ų | 53.9 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -35.9 | -170.5 | -64.1 | -175.8 | 180 | -177.3 | 0 | 114.8 | T411 Q415 E422 | T411-K413 VanDerWaalsContact C-N 3.28Å; T411-K413 PolarHBondContact O-N 2.82Å; T411-K413 VanDerWaalsContact O-N 3.12Å; K413-Q415 VanDerWaalsContact C-N 3.29Å; K413-Q415 PolarHBondContact O-N 3.29Å; K413-E422 WeakPolarHBondContact CE-OE1 3.35Å; K413-E422 IonicContact NZ-OE1 2.89Å; K413-E422 PolarHBondContact NZ-OE1 3.45Å |
| 414 | S | 86.6 | Confident | 91.3 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 85% | 0.846 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.7 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 115 | L412 | L412-S414 PolarHBondContact O-N 2.96Š|
| 415 | Q | 89.9 | Confident | 91.2 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -14 | -177.4 | -63.4 | -161.3 | 24.9 | 0 | 0 | 114.1 | F177 L412 K413 | F177-Q415 HydrophobicContact CE2-CB 3.87Å; F177-Q415 HydrophobicContact CZ-CB 4.4Å; L412-Q415 HydrophobicContact CB-CB 4.14Å; L412-Q415 WeakPolarHBondContact O-CA 3.43Å; L412-Q415 PolarHBondContact O-N 3.36Å; K413-Q415 VanDerWaalsContact C-N 3.29Å; K413-Q415 PolarHBondContact O-N 3.29Å |
| 416 | E | 93 | Very high | 91.2 | Very high | 21 Ų | 21 | 54 Ų | 54 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | trans | -71.2 | 145 | 170.3 | -60.8 | -68.1 | 171 | 0 | 0 | 109.8 | F177 Q180 Y234 L412 F418 I420 | F177-E416 WeakPolarHBondContact CD2-OE1 2.95Å; Q180-E416 VanDerWaalsContact CD-OE2 3.28Å; Q180-E416 PolarHBondContact NE2-OE2 3.19Å; Q180-E416 PolarHBondContact OE1-OE2 3.43Å; Q180-E416 VanDerWaalsContact OE1-OE2 3.13Å; Y234-E416 PolarHBondContact OH-OE1 3.46Å; L412-E416 WeakPolarHBondContact O-CG 3.26Å; L412-E416 PolarHBondContact O-N 2.99Å; E416-F418 VanDerWaalsContact C-N 3.32Å; E416-F418 WeakPolarHBondContact CB-O 3.24Å; E416-I420 HydrophobicContact CB-CD1 4.37Å; E416-I420 HydrophobicContact CG-CD1 3.72Å | ||
| 417 | W | 93.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 35% | 0.345 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -80.3 | -20.9 | 177.1 | -72.8 | 24.4 | 0 | 0 | 0 | 112.5 | L183 Q184 I190 F192 | L183-W417 HydrophobicContact CB-CH2 4.24Å; Q184-W417 HydrophobicContact CG-CH2 4.47Å; Q184-W417 HydrophobicContact CG-CZ2 3.4Å; Q184-W417 VanDerWaalsContact CG-CZ2 3.4Å; I190-W417 HydrophobicContact CB-CZ3 4.19Å; I190-W417 HydrophobicContact CG1-CH2 4.01Å; I190-W417 HydrophobicContact CG1-CZ3 4.11Å; I190-W417 HydrophobicContact CG2-CZ3 4.14Å; F192-W417 HydrophobicContact CD2-CE3 4.42Å; F192-W417 HydrophobicContact CE1-CE3 4.27Å; F192-W417 HydrophobicContact CE2-CD2 4.48Å; F192-W417 AromaticContact CE2-CE3 3.15Å; F192-W417 HydrophobicContact CE2-CE3 3.15Å; F192-W417 AromaticContact CE2-CZ3 3.19Å; F192-W417 HydrophobicContact CE2-CZ3 3.19Å; F192-W417 HydrophobicContact CZ-CD2 4.23Å; F192-W417 AromaticContact CZ-CE3 3.05Å; F192-W417 HydrophobicContact CZ-CE3 3.05Å; F192-W417 HydrophobicContact CZ-CH2 4.44Å; F192-W417 AromaticContact CZ-CZ3 3.17Å; F192-W417 HydrophobicContact CZ-CZ3 3.17Å |
| 418 | F | 94 | Very high | 91.6 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -133.4 | 153.2 | -177.5 | -55.7 | -69.6 | 0 | 0 | 0 | 110.6 | R173 F192 E416 I420 | R173-F418 HydrophobicContact CB-CD2 4.25Å; R173-F418 HydrophobicContact CB-CE2 4.19Å; R173-F418 HydrophobicContact CB-CZ 4.43Å; R173-F418 HydrophobicContact CG-CD1 4.43Å; R173-F418 HydrophobicContact CG-CD2 4.42Å; R173-F418 HydrophobicContact CG-CE1 3.99Å; R173-F418 HydrophobicContact CG-CE2 3.97Å; R173-F418 HydrophobicContact CG-CZ 3.75Å; R173-F418 VanDerWaalsContact O-CD2 3.27Å; R173-F418 WeakPolarHBondContact O-CD2 3.37Å; F192-F418 HydrophobicContact CB-CZ 4.1Å; F192-F418 AromaticContact CD1-CE2 3.63Å; F192-F418 HydrophobicContact CD1-CE2 3.63Å; F192-F418 AromaticContact CD1-CZ 3.68Å; F192-F418 HydrophobicContact CD1-CZ 3.68Å; F192-F418 HydrophobicContact CD2-CE2 4.29Å; F192-F418 AromaticContact CD2-CZ 3.64Å; F192-F418 HydrophobicContact CD2-CZ 3.64Å; F192-F418 AromaticContact CE1-CE2 3.62Å; F192-F418 HydrophobicContact CE1-CE2 3.62Å; F192-F418 AromaticContact CE1-CZ 3.98Å; F192-F418 HydrophobicContact CE1-CZ 3.98Å; F192-F418 HydrophobicContact CE2-CE2 4.25Å; F192-F418 AromaticContact CE2-CZ 3.91Å; F192-F418 HydrophobicContact CE2-CZ 3.91Å; F192-F418 AromaticContact CG-CE2 3.99Å; F192-F418 HydrophobicContact CG-CE2 3.99Å; F192-F418 AromaticContact CG-CZ 3.51Å; F192-F418 HydrophobicContact CG-CZ 3.51Å; F192-F418 AromaticContact CZ-CE2 3.95Å; F192-F418 HydrophobicContact CZ-CE2 3.95Å; F192-F418 HydrophobicContact CZ-CZ 4.09Å; E416-F418 VanDerWaalsContact C-N 3.32Å; E416-F418 WeakPolarHBondContact CB-O 3.24Å; F418-I420 PolarHBondContact O-N 2.9Å |
| 419 | C | 88.9 | Confident | 92 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 82% | 0.824 | 27% | 0.273 | S | S | * | . | trans | -72 | 112.9 | 171.4 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 420 | I | 89.9 | Confident | 92.3 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 127.3 | 176.6 | -58.8 | 160.3 | 0 | 0 | 0 | 107.3 | Y234 M409 T411 E416 F418 | Y234-I420 HydrophobicContact CD1-CG2 4.23Å; Y234-I420 HydrophobicContact CD2-CD1 3.69Å; Y234-I420 HydrophobicContact CD2-CG1 3.87Å; Y234-I420 HydrophobicContact CD2-CG2 4.05Å; Y234-I420 HydrophobicContact CE1-CD1 4.14Å; Y234-I420 HydrophobicContact CE2-CD1 3.2Å; Y234-I420 HydrophobicContact CE2-CG1 3.88Å; Y234-I420 HydrophobicContact CG-CD1 4.33Å; Y234-I420 HydrophobicContact CG-CG1 4.49Å; Y234-I420 HydrophobicContact CG-CG2 3.83Å; Y234-I420 VanDerWaalsContact CZ-CD1 3.47Å; M409-I420 HydrophobicContact CE-CG2 3.39Å; T411-I420 HydrophobicContact CG2-CB 4.1Å; T411-I420 HydrophobicContact CG2-CD1 3.5Å; T411-I420 HydrophobicContact CG2-CG1 4.41Å; T411-I420 HydrophobicContact CG2-CG2 4.23Å; E416-I420 HydrophobicContact CB-CD1 4.37Å; E416-I420 HydrophobicContact CG-CD1 3.72Å; F418-I420 PolarHBondContact O-N 2.9Å |
| 421 | P | 89.2 | Confident | 93 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 142.9 | 178.7 | -21.5 | 32.7 | 0 | 0 | 0 | 111.6 | Y235 R381 | Y235-P421 HydrophobicContact CE1-CG 4.49Å; R381-P421 PolarHBondContact NH1-O 3.19Å |
| 422 | E | 91.1 | Very high | 93.6 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -68 | 140.6 | 175.3 | -66.5 | -68.1 | 159.9 | 0 | 0 | 110.5 | R381 L392 K408 K413 | R381-E422 PolarHBondContact NH1-O 2.97Å; L392-E422 HydrophobicContact CD1-CB 4.22Å; K408-E422 VanDerWaalsContact CE-OE2 3.27Å; K408-E422 WeakPolarHBondContact CE-OE2 3.25Å; K413-E422 WeakPolarHBondContact CE-OE1 3.35Å; K413-E422 IonicContact NZ-OE1 2.89Å; K413-E422 PolarHBondContact NZ-OE1 3.45Å |
| 423 | S | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -155.2 | 158.9 | 176.4 | 44.6 | 0 | 0 | 0 | 0 | 111.7 | H379 L380 R381 K408 M409 | H379-S423 PolarHBondContact ND1-OG 2.84Å; L380-S423 CarbonylContact O-C 3.16Å; L380-S423 WeakPolarHBondContact O-CA 3.34Å; L380-S423 VanDerWaalsContact O-CB 3.27Å; L380-S423 WeakPolarHBondContact O-CB 3.34Å; R381-S423 PolarHBondContact NH1-OG 3.42Å; R381-S423 VanDerWaalsContact NH1-OG 3.14Å; R381-S423 PolarHBondContact NH2-OG 3.19Å; K408-S423 WeakPolarHBondContact CA-O 3.38Å; M409-S423 PolarHBondContact N-O 3.03Å | ||
| 424 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.6 | 151.5 | -64.2 | 158.1 | 0 | 0 | 0 | 107.7 | L380 L392 L395 I396 L406 I426 | L380-I424 HydrophobicContact CB-CB 4.3Å; L380-I424 PolarHBondContact N-O 3.46Å; L380-I424 PolarHBondContact O-N 3.07Å; L392-I424 HydrophobicContact CB-CD1 4.14Å; L392-I424 HydrophobicContact CB-CG1 4.26Å; L392-I424 HydrophobicContact CD2-CD1 3.78Å; L392-I424 HydrophobicContact CD2-CG1 3.97Å; L395-I424 HydrophobicContact CB-CD1 4.01Å; L395-I424 HydrophobicContact CD2-CD1 3.62Å; L395-I424 HydrophobicContact CG-CD1 3.93Å; I396-I424 HydrophobicContact CD1-CD1 4.4Å; I396-I424 HydrophobicContact CD1-CG1 3.98Å; I396-I424 HydrophobicContact CG1-CD1 3.89Å; I396-I424 HydrophobicContact CG1-CG1 3.92Å; L406-I424 HydrophobicContact CB-CG2 3.91Å; L406-I424 HydrophobicContact CD1-CG2 4.3Å; L406-I424 HydrophobicContact CD2-CG2 4.4Å; L406-I424 HydrophobicContact CG-CG2 4.44Å; I424-I426 HydrophobicContact CG2-CD1 4.35Å; I424-I426 HydrophobicContact CG2-CG1 3.83Å |
| 425 | K | 96.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 40.5 Ų | 40.5 | 15% | 0.148 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.2 | 172.5 | -174.2 | -170.4 | 69.9 | 174.4 | 0 | 108 | G88 L377 T407 M409 | G88-K425 WeakPolarHBondContact O-CE 3.3Å; G88-K425 PolarHBondContact O-NZ 2.76Å; L377-K425 HydrophobicContact CD1-CD 3.8Å; L377-K425 HydrophobicContact CD1-CG 3.54Å; T407-K425 PolarHBondContact O-N 2.85Å; M409-K425 HydrophobicContact CB-CB 4.38Å |
| 426 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.7 | 178.6 | -56 | -178.3 | 0 | 0 | 0 | 107.7 | F87 F357 F378 L380 L406 I424 L428 L440 I444 | F87-I426 HydrophobicContact CB-CG2 4.15Å; F357-I426 HydrophobicContact CE1-CG2 4.26Å; F357-I426 HydrophobicContact CE2-CG2 4.44Å; F357-I426 HydrophobicContact CZ-CD1 3.94Å; F357-I426 HydrophobicContact CZ-CG2 3.89Å; F378-I426 HydrophobicContact CB-CB 4.44Å; F378-I426 PolarHBondContact N-O 3.03Å; F378-I426 PolarHBondContact O-N 2.89Å; L380-I426 HydrophobicContact CB-CD1 4.32Å; L406-I426 HydrophobicContact CD2-CD1 4.47Å; L406-I426 HydrophobicContact CD2-CG1 4.23Å; I424-I426 HydrophobicContact CG2-CD1 4.35Å; I424-I426 HydrophobicContact CG2-CG1 3.83Å; I426-L428 HydrophobicContact CG2-CD2 4.1Å; I426-L440 HydrophobicContact CG2-CD2 3.99Å; I426-I444 HydrophobicContact CD1-CD1 4.02Å |
| 427 | S | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.8 | -178.6 | -67.9 | 0 | 0 | 0 | 0 | 110.1 | F87 T89 P376 | F87-S427 PolarHBondContact O-N 2.97Å; T89-S427 WeakPolarHBondContact O-CB 3.47Å; P376-S427 CarbonylContact O-C 3.52Å; P376-S427 VanDerWaalsContact O-CA 3.27Å; P376-S427 WeakPolarHBondContact O-CA 3.38Å |
| 428 | L | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -90.9 | 150.9 | 177.5 | -71.9 | -64.7 | 0 | 0 | 0 | 109.7 | F87 L350 F357 P376 F378 I426 I437 | F87-L428 HydrophobicContact CD1-CD1 4.08Å; F87-L428 HydrophobicContact CE1-CD1 3.88Å; L350-L428 WeakPolarHBondContact CD1-O 3.44Å; F357-L428 HydrophobicContact CB-CD1 4.25Å; F357-L428 HydrophobicContact CB-CD2 4.38Å; F357-L428 HydrophobicContact CB-CG 4.26Å; F357-L428 HydrophobicContact CD1-CD2 3.9Å; F357-L428 HydrophobicContact CD2-CD1 4.47Å; F357-L428 HydrophobicContact CE1-CD2 4.33Å; F357-L428 HydrophobicContact CG-CD1 4.33Å; F357-L428 HydrophobicContact CG-CD2 4.03Å; F357-L428 HydrophobicContact CG-CG 4.39Å; P376-L428 HydrophobicContact CB-CB 4.16Å; P376-L428 WeakPolarHBondContact CB-O 3.39Å; P376-L428 PolarHBondContact O-N 2.9Å; F378-L428 HydrophobicContact CD2-CD2 3.48Å; F378-L428 VanDerWaalsContact CD2-CD2 3.48Å; F378-L428 HydrophobicContact CE2-CD2 3.49Å; F378-L428 VanDerWaalsContact CE2-CD2 3.49Å; F378-L428 HydrophobicContact CE2-CG 4.25Å; I426-L428 HydrophobicContact CG2-CD2 4.1Å; L428-I437 HydrophobicContact CD1-CD1 4.33Å; L428-I437 HydrophobicContact CD1-CG1 4.14Å | ||
| 429 | S | 98.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | trans | -122.9 | 156.1 | 177.4 | -177 | 0 | 0 | 0 | 0 | 111.1 | N91 F92 N353 E431 H432 | N91-S429 PolarHBondContact O-OG 3.12Å; F92-S429 CarbonylContact O-C 3.53Å; F92-S429 VanDerWaalsContact O-CA 3.26Å; F92-S429 WeakPolarHBondContact O-CA 3.26Å; N353-S429 PolarHBondContact ND2-O 2.8Å; S429-E431 PolarHBondContact O-N 3.48Å; S429-E431 PolarHBondContact OG-N 3.39Å; S429-H432 PolarHBondContact N-CE1 3.38Å; S429-H432 PolarHBondContact N-ND1 3.12Å; S429-H432 PolarHBondContact O-N 3.3Å | ||
| 430 | S | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.1 | 168.9 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | F92 L93 R346 R349 | F92-S430 PolarHBondContact O-N 3.31Å; L93-S430 VanDerWaalsContact C-OG 3.27Å; L93-S430 WeakPolarHBondContact CA-OG 3.46Å; L93-S430 PolarHBondContact O-OG 2.93Å; R346-S430 WeakPolarHBondContact CG-OG 3.46Å; R346-S430 VanDerWaalsContact O-CB 3.31Å; R346-S430 WeakPolarHBondContact O-CB 3.37Å; R349-S430 PolarHBondContact NE-O 3.15Å |
| 431 | E | 97.6 | Very high | 97.1 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -12.5 | -176 | -55.3 | -50.1 | 117 | 0 | 0 | 113.4 | K75 R346 R349 S429 T433 | K75-E431 HydrophobicContact CD-CB 3.95Å; K75-E431 WeakPolarHBondContact CD-O 3.23Å; K75-E431 WeakPolarHBondContact CE-O 3.25Å; K75-E431 PolarHBondContact NZ-O 3.35Å; R346-E431 IonicContact CZ-OE1 3.03Å; R346-E431 IonicContact NH1-OE1 3.94Å; R346-E431 PolarHBondContact NH1-OE1 2.69Å; R349-E431 IonicContact NH2-OE1 2.69Å; R349-E431 PolarHBondContact NH2-OE1 2.97Å; S429-E431 PolarHBondContact O-N 3.48Å; S429-E431 PolarHBondContact OG-N 3.39Å; E431-T433 PolarHBondContact O-N 3.13Å |
| 432 | H | 98.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | trans | -66.5 | 130 | 172.3 | -65.6 | 136.9 | 0 | 0 | 0 | 110 | N86 F87 N353 S429 E436 I437 | N86-H432 PolarHBondContact O-CE1 2.66Å; N86-H432 PolarHBondContact O-NE2 2.87Å; F87-H432 AromaticContact CD1-CE1 3.42Å; F87-H432 VanDerWaalsContact CD1-CE1 3.42Å; F87-H432 WeakPolarHBondContact CD1-CE1 3.42Å; F87-H432 AromaticContact CD1-ND1 3.88Å; F87-H432 AromaticContact CD1-NE2 3.81Å; F87-H432 AromaticContact CE1-CD2 3.94Å; F87-H432 AromaticContact CE1-CE1 3.54Å; F87-H432 AromaticContact CE1-CG 3.87Å; F87-H432 AromaticContact CE1-ND1 3.62Å; F87-H432 AromaticContact CE1-NE2 3.75Å; N353-H432 PolarHBondContact ND2-O 2.71Å; S429-H432 PolarHBondContact N-CE1 3.38Å; S429-H432 PolarHBondContact N-ND1 3.12Å; S429-H432 PolarHBondContact O-N 3.3Å; H432-E436 VanDerWaalsContact CA-OE2 3.29Å; H432-E436 WeakPolarHBondContact CA-OE2 3.36Å; H432-I437 HydrophobicContact CB-CD1 4.24Å; H432-I437 HydrophobicContact CB-CG1 4.05Å | ||
| 433 | T | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 34.3 Ų | 34.3 | 31% | 0.307 | 17% | 0.169 | S | C | . | . | trans | -81.9 | 166.8 | 173.2 | 81.9 | 0 | 0 | 0 | 0 | 111.1 | E431 E435 E436 I437 | E431-T433 PolarHBondContact O-N 3.13Å; T433-E435 VanDerWaalsContact C-N 3.31Å; T433-E435 VanDerWaalsContact CB-OE2 3.23Å; T433-E435 WeakPolarHBondContact CB-OE2 3.47Å; T433-E435 PolarHBondContact O-N 2.86Å; T433-E435 PolarHBondContact OG1-N 3.41Å; T433-E435 PolarHBondContact OG1-OE2 3.06Å; T433-E436 PolarHBondContact N-OE2 2.78Å; T433-E436 PolarHBondContact O-N 3.44Å; T433-E436 WeakPolarHBondContact OG1-CG 3.32Å; T433-E436 PolarHBondContact OG1-N 2.93Å; T433-I437 WeakPolarHBondContact O-CG1 3.2Å; T433-I437 PolarHBondContact O-N 2.6Å | ||
| 434 | M | 97.6 | Very high | 98 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 35% | 0.345 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.3 | -174.8 | 59.9 | -174.5 | 0 | 0 | 111.1 | I356 E436 I437 E438 | I356-M434 HydrophobicContact CD1-CE 4.43Å; I356-M434 HydrophobicContact CD1-SD 3.82Å; I356-M434 HydrophobicContact CG2-CE 3.62Å; I356-M434 HydrophobicContact CG2-SD 3.8Å; M434-E436 VanDerWaalsContact C-N 3.3Å; M434-E436 PolarHBondContact O-N 2.89Å; M434-I437 PolarHBondContact O-N 2.93Å; M434-E438 HydrophobicContact CE-CG 3.97Å; M434-E438 WeakPolarHBondContact CE-OE1 3.29Å; M434-E438 HydrophobicContact CG-CG 4.45Å; M434-E438 WeakPolarHBondContact O-CB 3.18Å; M434-E438 WeakPolarHBondContact O-CG 3.4Å; M434-E438 PolarHBondContact O-N 3.32Å |
| 435 | E | 98.3 | Very high | 97.9 | Very high | 118 Ų | 118 | 37.2 Ų | 37.2 | 55% | 0.551 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -63.3 | -38.2 | 179 | -55.8 | 75.1 | -163.7 | 0 | 0 | 111.2 | T433 E438 R439 | T433-E435 VanDerWaalsContact C-N 3.31Å; T433-E435 VanDerWaalsContact CB-OE2 3.23Å; T433-E435 WeakPolarHBondContact CB-OE2 3.47Å; T433-E435 PolarHBondContact O-N 2.86Å; T433-E435 PolarHBondContact OG1-N 3.41Å; T433-E435 PolarHBondContact OG1-OE2 3.06Å; E435-E438 PolarHBondContact O-N 3.1Å; E435-R439 VanDerWaalsContact O-CG 3.29Å; E435-R439 WeakPolarHBondContact O-CG 3.22Å; E435-R439 PolarHBondContact O-N 2.97Å |
| 436 | E | 98.5 | Very high | 97.8 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.5 | -75.7 | 170.8 | 175.2 | 0 | 0 | 111.9 | K75 Y76 L85 H432 T433 M434 R439 L440 | K75-E436 WeakPolarHBondContact CD-OE2 3.44Å; K75-E436 IonicContact NZ-OE1 2.81Å; K75-E436 PolarHBondContact NZ-OE1 2.93Å; K75-E436 IonicContact NZ-OE2 3.04Å; K75-E436 PolarHBondContact NZ-OE2 3.4Å; Y76-E436 PolarHBondContact OH-OE1 3.3Å; L85-E436 HydrophobicContact CD1-CB 4.26Å; L85-E436 HydrophobicContact CD1-CG 4.02Å; L85-E436 HydrophobicContact CD2-CB 3.65Å; L85-E436 HydrophobicContact CD2-CG 3.87Å; H432-E436 VanDerWaalsContact CA-OE2 3.29Å; H432-E436 WeakPolarHBondContact CA-OE2 3.36Å; T433-E436 PolarHBondContact N-OE2 2.78Å; T433-E436 PolarHBondContact O-N 3.44Å; T433-E436 WeakPolarHBondContact OG1-CG 3.32Å; T433-E436 PolarHBondContact OG1-N 2.93Å; M434-E436 VanDerWaalsContact C-N 3.3Å; M434-E436 PolarHBondContact O-N 2.89Å; E436-R439 PolarHBondContact O-N 3.13Å; E436-L440 PolarHBondContact O-N 3.43Å |
| 437 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.3 | -43.4 | 175.2 | -65 | 166.8 | 0 | 0 | 0 | 110.5 | N353 F357 L428 H432 T433 M434 R439 L440 L441 | N353-I437 HydrophobicContact CB-CD1 3.6Å; F357-I437 HydrophobicContact CB-CG2 4.36Å; F357-I437 HydrophobicContact CD2-CG2 4.28Å; L428-I437 HydrophobicContact CD1-CD1 4.33Å; L428-I437 HydrophobicContact CD1-CG1 4.14Å; H432-I437 HydrophobicContact CB-CD1 4.24Å; H432-I437 HydrophobicContact CB-CG1 4.05Å; T433-I437 WeakPolarHBondContact O-CG1 3.2Å; T433-I437 PolarHBondContact O-N 2.6Å; M434-I437 PolarHBondContact O-N 2.93Å; I437-R439 VanDerWaalsContact C-N 3.31Å; I437-R439 PolarHBondContact O-N 3.44Å; I437-L440 WeakPolarHBondContact O-CB 3.44Å; I437-L440 PolarHBondContact O-N 3.18Å; I437-L440 VanDerWaalsContact O-N 3.16Å; I437-L441 HydrophobicContact CG2-CD1 4.05Å; I437-L441 HydrophobicContact CG2-CG 4.39Å; I437-L441 WeakPolarHBondContact O-CG 3.37Å; I437-L441 PolarHBondContact O-N 2.95Å |
| 438 | E | 98 | Very high | 97.4 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 44% | 0.444 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 176 | -75 | 176.3 | 173.7 | 0 | 0 | 111.8 | M434 E435 L440 L441 V442 | M434-E438 HydrophobicContact CE-CG 3.97Å; M434-E438 WeakPolarHBondContact CE-OE1 3.29Å; M434-E438 HydrophobicContact CG-CG 4.45Å; M434-E438 WeakPolarHBondContact O-CB 3.18Å; M434-E438 WeakPolarHBondContact O-CG 3.4Å; M434-E438 PolarHBondContact O-N 3.32Å; E435-E438 PolarHBondContact O-N 3.1Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.34Å; E438-L441 PolarHBondContact O-N 3.48Å; E438-V442 WeakPolarHBondContact O-CG2 3.33Å; E438-V442 PolarHBondContact O-N 2.8Å |
| 439 | R | 98.2 | Very high | 97 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 43% | 0.426 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 173.3 | -77.1 | 175.5 | 65.6 | -159.5 | -2.5 | 112.1 | E402 I404 E435 E436 I437 V442 V443 | E402-R439 PolarHBondContact O-NH2 3.26Å; I404-R439 HydrophobicContact CD1-CB 4.37Å; E435-R439 VanDerWaalsContact O-CG 3.29Å; E435-R439 WeakPolarHBondContact O-CG 3.22Å; E435-R439 PolarHBondContact O-N 2.97Å; E436-R439 PolarHBondContact O-N 3.13Å; I437-R439 VanDerWaalsContact C-N 3.31Å; I437-R439 PolarHBondContact O-N 3.44Å; R439-V442 PolarHBondContact O-N 3.06Å; R439-V443 WeakPolarHBondContact O-CG2 3.32Å; R439-V443 PolarHBondContact O-N 3.03Å |
| 440 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.3 | 173 | 63.2 | 0 | 0 | 0 | 111.4 | F87 F357 I404 L406 I426 E436 I437 E438 V442 V443 I444 | F87-L440 HydrophobicContact CB-CD2 4.44Å; F87-L440 HydrophobicContact CD1-CD2 3.72Å; F87-L440 HydrophobicContact CD2-CB 4.49Å; F87-L440 HydrophobicContact CD2-CD1 4.5Å; F87-L440 HydrophobicContact CD2-CD2 3.93Å; F87-L440 HydrophobicContact CE1-CD2 3.79Å; F87-L440 HydrophobicContact CE2-CB 3.85Å; F87-L440 HydrophobicContact CE2-CD2 3.97Å; F87-L440 HydrophobicContact CE2-CG 4.36Å; F87-L440 HydrophobicContact CG-CD2 3.79Å; F87-L440 HydrophobicContact CZ-CB 3.91Å; F87-L440 HydrophobicContact CZ-CD2 3.91Å; F357-L440 HydrophobicContact CD2-CD2 4.31Å; F357-L440 HydrophobicContact CE2-CD2 3.62Å; F357-L440 HydrophobicContact CE2-CG 4.22Å; F357-L440 HydrophobicContact CZ-CD2 4.32Å; I404-L440 HydrophobicContact CD1-CB 4.33Å; I404-L440 HydrophobicContact CG2-CD1 4.09Å; L406-L440 HydrophobicContact CD1-CD1 4.14Å; L406-L440 HydrophobicContact CD2-CD1 3.9Å; L406-L440 HydrophobicContact CG-CD1 4.41Å; I426-L440 HydrophobicContact CG2-CD2 3.99Å; E436-L440 PolarHBondContact O-N 3.43Å; I437-L440 WeakPolarHBondContact O-CB 3.44Å; I437-L440 PolarHBondContact O-N 3.18Å; I437-L440 VanDerWaalsContact O-N 3.16Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.34Å; L440-V442 VanDerWaalsContact C-N 3.34Å; L440-V442 PolarHBondContact O-N 3.41Å; L440-V443 PolarHBondContact O-N 2.84Å; L440-I444 HydrophobicContact CD1-CD1 3.82Å; L440-I444 HydrophobicContact CD1-CG1 4.08Å; L440-I444 HydrophobicContact CD2-CD1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.81Å; L440-I444 HydrophobicContact CG-CG1 4.44Å; L440-I444 WeakPolarHBondContact O-CG1 3.37Å; L440-I444 PolarHBondContact O-N 2.84Å |
| 441 | L | 97.9 | Very high | 96.3 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | -179.9 | -68.7 | 170.9 | 0 | 0 | 0 | 112.1 | F357 A360 M361 I437 E438 V443 I444 D445 | F357-L441 HydrophobicContact CD2-CD2 3.75Å; F357-L441 HydrophobicContact CD2-CG 4.34Å; F357-L441 HydrophobicContact CE2-CD2 3.84Å; A360-L441 HydrophobicContact CB-CD1 3.54Å; A360-L441 HydrophobicContact CB-CD2 3.66Å; A360-L441 HydrophobicContact CB-CG 4.24Å; M361-L441 HydrophobicContact CG-CD2 3.93Å; M361-L441 HydrophobicContact SD-CD2 3.61Å; I437-L441 HydrophobicContact CG2-CD1 4.05Å; I437-L441 HydrophobicContact CG2-CG 4.39Å; I437-L441 WeakPolarHBondContact O-CG 3.37Å; I437-L441 PolarHBondContact O-N 2.95Å; E438-L441 PolarHBondContact O-N 3.48Å; L441-V443 VanDerWaalsContact C-N 3.33Å; L441-V443 PolarHBondContact O-N 3.35Å; L441-I444 PolarHBondContact O-N 3.24Å; L441-D445 VanDerWaalsContact O-CB 3.25Å; L441-D445 WeakPolarHBondContact O-CB 3.32Å; L441-D445 PolarHBondContact O-N 3.49Å |
| 442 | V | 97.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 51.7 Ų | 51.7 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | E438 R439 L440 S446 | E438-V442 WeakPolarHBondContact O-CG2 3.33Å; E438-V442 PolarHBondContact O-N 2.8Å; R439-V442 PolarHBondContact O-N 3.06Å; L440-V442 VanDerWaalsContact C-N 3.34Å; L440-V442 PolarHBondContact O-N 3.41Å; V442-S446 WeakPolarHBondContact O-CB 3.45Å; V442-S446 PolarHBondContact O-N 3.04Å |
| 443 | V | 98 | Very high | 96.1 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 111 | L395 K398 A399 E402 I404 R439 L440 L441 S446 V447 | L395-V443 HydrophobicContact CD1-CG1 3.98Å; K398-V443 HydrophobicContact CG-CG1 4.06Å; A399-V443 HydrophobicContact CB-CG1 4.1Å; E402-V443 HydrophobicContact CB-CG2 3.92Å; E402-V443 HydrophobicContact CG-CG2 3.87Å; I404-V443 HydrophobicContact CD1-CG2 4.01Å; R439-V443 WeakPolarHBondContact O-CG2 3.32Å; R439-V443 PolarHBondContact O-N 3.03Å; L440-V443 PolarHBondContact O-N 2.84Å; L441-V443 VanDerWaalsContact C-N 3.33Å; L441-V443 PolarHBondContact O-N 3.35Å; V443-S446 PolarHBondContact O-N 3.1Å; V443-S446 PolarHBondContact O-OG 3.19Å; V443-V447 PolarHBondContact O-N 3.33Å |
| 444 | I | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 178.5 | -65.5 | 171.3 | 0 | 0 | 0 | 110.5 | F357 M361 L364 L380 L395 I426 L440 L441 S446 V447 D448 | F357-I444 HydrophobicContact CE2-CD1 4.15Å; F357-I444 HydrophobicContact CZ-CD1 4.21Å; M361-I444 HydrophobicContact CE-CD1 3.81Å; M361-I444 HydrophobicContact CE-CG2 4.01Å; M361-I444 HydrophobicContact SD-CD1 3.86Å; M361-I444 HydrophobicContact SD-CG2 4.13Å; L364-I444 HydrophobicContact CD1-CG2 3.79Å; L364-I444 HydrophobicContact CD2-CG2 4.1Å; L380-I444 HydrophobicContact CD2-CG2 4.37Å; L395-I444 HydrophobicContact CD1-CG1 4.19Å; L395-I444 HydrophobicContact CD2-CG1 4.28Å; I426-I444 HydrophobicContact CD1-CD1 4.02Å; L440-I444 HydrophobicContact CD1-CD1 3.82Å; L440-I444 HydrophobicContact CD1-CG1 4.08Å; L440-I444 HydrophobicContact CD2-CD1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.81Å; L440-I444 HydrophobicContact CG-CG1 4.44Å; L440-I444 WeakPolarHBondContact O-CG1 3.37Å; L440-I444 PolarHBondContact O-N 2.84Å; L441-I444 PolarHBondContact O-N 3.24Å; I444-S446 VanDerWaalsContact C-N 3.29Å; I444-S446 PolarHBondContact O-N 2.7Å; I444-V447 PolarHBondContact O-N 2.81Å; I444-V447 VanDerWaalsContact O-N 3.16Å; I444-D448 WeakPolarHBondContact O-CB 3.07Å; I444-D448 PolarHBondContact O-N 2.99Å |
| 445 | D | 95.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 179.4 | -178.7 | 72.5 | 0 | 0 | 0 | 112.2 | L441 V447 D448 K449 | L441-D445 VanDerWaalsContact O-CB 3.25Å; L441-D445 WeakPolarHBondContact O-CB 3.32Å; L441-D445 PolarHBondContact O-N 3.49Å; D445-V447 VanDerWaalsContact C-N 3.32Å; D445-V447 PolarHBondContact O-N 3.45Å; D445-D448 PolarHBondContact O-N 2.94Å; D445-K449 WeakPolarHBondContact O-CB 3.43Å; D445-K449 WeakPolarHBondContact O-CG 3.48Å; D445-K449 PolarHBondContact O-N 3.47Å; D445-K449 WeakPolarHBondContact OD1-CE 3.34Å; D445-K449 IonicContact OD1-NZ 3.64Å; D445-K449 PolarHBondContact OD1-NZ 2.83Å; D445-K449 WeakPolarHBondContact OD2-CE 3.23Å; D445-K449 IonicContact OD2-NZ 3.55Å; D445-K449 PolarHBondContact OD2-NZ 2.79Å |
| 446 | S | 95.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 34% | 0.343 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 176.8 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | V442 V443 I444 A450 | V442-S446 WeakPolarHBondContact O-CB 3.45Å; V442-S446 PolarHBondContact O-N 3.04Å; V443-S446 PolarHBondContact O-N 3.1Å; V443-S446 PolarHBondContact O-OG 3.19Å; I444-S446 VanDerWaalsContact C-N 3.29Å; I444-S446 PolarHBondContact O-N 2.7Å; S446-A450 WeakPolarHBondContact O-CB 3.47Å; S446-A450 PolarHBondContact O-N 2.59Å |
| 447 | V | 94.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -83.2 | -31.5 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | F367 L391 T394 L395 K398 V443 I444 D445 K449 | F367-V447 HydrophobicContact CE2-CG1 4.33Å; F367-V447 HydrophobicContact CZ-CG1 4.11Å; L391-V447 HydrophobicContact CD1-CG1 3.85Å; T394-V447 HydrophobicContact CG2-CG1 4.36Å; L395-V447 HydrophobicContact CB-CG1 4.18Å; L395-V447 HydrophobicContact CD1-CB 4.12Å; L395-V447 HydrophobicContact CD1-CG2 3.85Å; K398-V447 HydrophobicContact CB-CG2 4.03Å; K398-V447 HydrophobicContact CG-CG2 3.93Å; V443-V447 PolarHBondContact O-N 3.33Å; I444-V447 PolarHBondContact O-N 2.81Å; I444-V447 VanDerWaalsContact O-N 3.16Å; D445-V447 VanDerWaalsContact C-N 3.32Å; D445-V447 PolarHBondContact O-N 3.45Å; V447-K449 VanDerWaalsContact C-N 3.29Å; V447-K449 PolarHBondContact O-N 3.47Å |
| 448 | D | 92.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -33 | 173.8 | -169.3 | 74 | 0 | 0 | 0 | 112.2 | L364 N365 R366 F367 I444 D445 | L364-D448 HydrophobicContact CD2-CB 3.99Å; N365-D448 PolarHBondContact N-OD1 3.4Å; N365-D448 VanDerWaalsContact N-OD1 3.11Å; N365-D448 PolarHBondContact N-OD2 3.32Å; N365-D448 PolarHBondContact ND2-OD2 3.39Å; R366-D448 WeakPolarHBondContact CA-OD1 3.3Å; R366-D448 WeakPolarHBondContact CB-OD1 3.3Å; R366-D448 WeakPolarHBondContact CD-O 3.42Å; R366-D448 VanDerWaalsContact CG-O 3.3Å; R366-D448 WeakPolarHBondContact CG-O 3.29Å; R366-D448 PolarHBondContact N-OD1 3.05Å; F367-D448 HydrophobicContact CD2-CB 4.09Å; F367-D448 WeakPolarHBondContact CD2-OD1 3.49Å; F367-D448 HydrophobicContact CE2-CB 4.19Å; F367-D448 PolarHBondContact N-OD1 3.25Å; I444-D448 WeakPolarHBondContact O-CB 3.07Å; I444-D448 PolarHBondContact O-N 2.99Å; D445-D448 PolarHBondContact O-N 2.94Å |
| 449 | K | 89.5 | Confident | 95.1 | Very high | 143 Ų | 143 | 52.3 Ų | 52.3 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -91.7 | -21.7 | -178.8 | -72.1 | 174.3 | 177.8 | 160.2 | 0 | 115.3 | D445 V447 | D445-K449 WeakPolarHBondContact O-CB 3.43Å; D445-K449 WeakPolarHBondContact O-CG 3.48Å; D445-K449 PolarHBondContact O-N 3.47Å; D445-K449 WeakPolarHBondContact OD1-CE 3.34Å; D445-K449 IonicContact OD1-NZ 3.64Å; D445-K449 PolarHBondContact OD1-NZ 2.83Å; D445-K449 WeakPolarHBondContact OD2-CE 3.23Å; D445-K449 IonicContact OD2-NZ 3.55Å; D445-K449 PolarHBondContact OD2-NZ 2.79Å; V447-K449 VanDerWaalsContact C-N 3.29Å; V447-K449 PolarHBondContact O-N 3.47Å |
| 450 | A | 85.8 | Confident | 94.8 | Very high | 105 Ų | 105 | 46.7 Ų | 46.7 | 87% | 0.868 | 28% | 0.279 | S | S | * | . | trans | -72.7 | 0 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R366 S446 | R366-A450 PolarHBondContact NH1-OXT 3.36Å; S446-A450 WeakPolarHBondContact O-CB 3.47Å; S446-A450 PolarHBondContact O-N 2.59Å |
Retrieved 450 of 450 residues in 269.2 ms
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