| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.5 | Low | 66.5 | Low | 67 Ų | 67 | 55.7 Ų | 55.7 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | 0 | 135.3 | 0 | -93.4 | 175.7 | 60.2 | 0 | 0 | 108.7 | L5 H6 L9 K24 I111 | M1-L5 HydrophobicContact CE-CB 4.31Å; M1-L5 HydrophobicContact CE-CD2 4.16Å; M1-L5 HydrophobicContact CE-CG 4.27Å; M1-L5 HydrophobicContact CG-CD2 3.96Å; M1-H6 HydrophobicContact CE-CB 3.71Å; M1-H6 VanDerWaalsContact CE-N 3.34Å; M1-L9 HydrophobicContact CE-CB 4.46Å; M1-L9 HydrophobicContact CE-CD1 3.57Å; M1-L9 HydrophobicContact CE-CG 4.25Å; M1-L9 HydrophobicContact SD-CD1 4.06Å; M1-K24 HydrophobicContact SD-CB 3.78Å; M1-K24 HydrophobicContact SD-CG 4.19Å; M1-I111 HydrophobicContact CB-CD1 4.33Å; M1-I111 HydrophobicContact CG-CD1 3.36Å; M1-I111 HydrophobicContact CG-CG1 4.13Å | |||
| 2 | S | 64.7 | Low | 66.7 | Low | 50 Ų | 50 | 56.4 Ų | 56.4 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | trans | -62.5 | 151 | 165.8 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | S4 L5 H6 | S2-S4 PolarHBondContact O-N 3.13Å; S2-S4 PolarHBondContact OG-OG 3.18Å; S2-L5 PolarHBondContact O-N 3.36Å; S2-L5 VanDerWaalsContact OG-CB 3.27Å; S2-L5 WeakPolarHBondContact OG-CB 3.39Å; S2-L5 PolarHBondContact OG-N 3.41Å; S2-H6 PolarHBondContact O-N 3.45Å | ||
| 3 | S | 64.9 | Low | 67 | Low | 99 Ų | 99 | 55.8 Ų | 55.8 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.3 | -29.3 | -179.2 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | N7 | S3-N7 VanDerWaalsContact O-CG 3.27Å; S3-N7 PolarHBondContact O-N 2.9Å; S3-N7 PolarHBondContact O-ND2 3.41Å; S3-N7 VanDerWaalsContact O-ND2 3.16Å |
| 4 | S | 64.7 | Low | 66.8 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 173.3 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | S2 H6 N7 D8 | S2-S4 PolarHBondContact O-N 3.13Å; S2-S4 PolarHBondContact OG-OG 3.18Å; S4-H6 VanDerWaalsContact C-N 3.3Å; S4-H6 PolarHBondContact O-N 3.1Å; S4-N7 PolarHBondContact O-N 3.11Å; S4-N7 VanDerWaalsContact O-N 3.09Å; S4-D8 VanDerWaalsContact O-CG 3.23Å; S4-D8 PolarHBondContact O-N 3.36Å |
| 5 | L | 64.3 | Low | 66.5 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | -179.3 | -161.6 | 80.4 | 0 | 0 | 0 | 112.5 | M1 S2 N7 D8 L9 S104 I105 I111 | M1-L5 HydrophobicContact CE-CB 4.31Å; M1-L5 HydrophobicContact CE-CD2 4.16Å; M1-L5 HydrophobicContact CE-CG 4.27Å; M1-L5 HydrophobicContact CG-CD2 3.96Å; S2-L5 PolarHBondContact O-N 3.36Å; S2-L5 VanDerWaalsContact OG-CB 3.27Å; S2-L5 WeakPolarHBondContact OG-CB 3.39Å; S2-L5 PolarHBondContact OG-N 3.41Å; L5-N7 VanDerWaalsContact C-N 3.34Å; L5-D8 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.02Å; L5-S104 WeakPolarHBondContact CD1-OG 3.2Å; L5-I105 HydrophobicContact CD1-CB 4.33Å; L5-I105 HydrophobicContact CD1-CD1 4.33Å; L5-I105 HydrophobicContact CD1-CG1 3.31Å; L5-I105 HydrophobicContact CD2-CG1 4.05Å; L5-I105 HydrophobicContact CG-CG1 4.11Å; L5-I111 HydrophobicContact CD2-CD1 3.02Å; L5-I111 HydrophobicContact CD2-CG1 4.5Å |
| 6 | H | 70.1 | Confident | 65.9 | Low | 20 Ų | 20 | 59.6 Ų | 59.6 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 173.4 | -178.7 | 49.2 | 0 | 0 | 0 | 112 | M1 S2 S4 R10 S20 C23 | M1-H6 HydrophobicContact CE-CB 3.71Å; M1-H6 VanDerWaalsContact CE-N 3.34Å; S2-H6 PolarHBondContact O-N 3.45Å; S4-H6 VanDerWaalsContact C-N 3.3Å; S4-H6 PolarHBondContact O-N 3.1Å; H6-R10 WeakPolarHBondContact O-CB 3.46Å; H6-R10 PolarHBondContact O-N 3.39Å; H6-S20 VanDerWaalsContact CE1-CA 3.49Å; H6-S20 WeakPolarHBondContact CE1-CA 3.28Å; H6-C23 VanDerWaalsContact CE1-SG 3.54Å |
| 7 | N | 67 | Low | 65.5 | Low | 96 Ų | 96 | 58.4 Ų | 58.4 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 178.6 | -67.3 | -26 | 0 | 0 | 0 | 112.1 | S3 S4 L5 R10 G11 | S3-N7 VanDerWaalsContact O-CG 3.27Å; S3-N7 PolarHBondContact O-N 2.9Å; S3-N7 PolarHBondContact O-ND2 3.41Å; S3-N7 VanDerWaalsContact O-ND2 3.16Å; S4-N7 PolarHBondContact O-N 3.11Å; S4-N7 VanDerWaalsContact O-N 3.09Å; L5-N7 VanDerWaalsContact C-N 3.34Å; N7-R10 PolarHBondContact O-N 3.08Å; N7-G11 PolarHBondContact O-N 3.37Å |
| 8 | D | 68.2 | Low | 65 | Low | 70 Ų | 70 | 63.6 Ų | 63.6 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.4 | -49.1 | 176.8 | -62 | -25.2 | 0 | 0 | 0 | 111.1 | S4 L5 R10 G11 V12 | S4-D8 VanDerWaalsContact O-CG 3.23Å; S4-D8 PolarHBondContact O-N 3.36Å; L5-D8 PolarHBondContact O-N 3.41Å; D8-R10 VanDerWaalsContact C-N 3.3Å; D8-R10 PolarHBondContact O-N 3.08Å; D8-G11 PolarHBondContact O-N 3.49Å; D8-V12 WeakPolarHBondContact O-CG2 3.38Å; D8-V12 PolarHBondContact O-N 3.15Å |
| 9 | L | 69.4 | Low | 64.9 | Low | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 175.3 | -67.3 | -172.7 | 0 | 0 | 0 | 112.1 | M1 L5 G11 V12 F13 C23 F27 L98 I105 | M1-L9 HydrophobicContact CE-CB 4.46Å; M1-L9 HydrophobicContact CE-CD1 3.57Å; M1-L9 HydrophobicContact CE-CG 4.25Å; M1-L9 HydrophobicContact SD-CD1 4.06Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 3.02Å; L9-G11 VanDerWaalsContact C-N 3.34Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-F13 HydrophobicContact CB-CD2 4.34Å; L9-F13 HydrophobicContact CB-CE2 4.49Å; L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 2.97Å; L9-C23 HydrophobicContact CB-CB 4.06Å; L9-F27 HydrophobicContact CD1-CB 4.25Å; L9-L98 HydrophobicContact CD2-CD2 3.28Å; L9-I105 HydrophobicContact CD2-CD1 4.2Å |
| 10 | R | 70.7 | Confident | 64.8 | Low | 79 Ų | 79 | 65 Ų | 65 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.5 | -172 | 179.6 | 177.8 | -175.5 | 0.5 | 111.8 | H6 N7 D8 G14 C15 D16 | H6-R10 WeakPolarHBondContact O-CB 3.46Å; H6-R10 PolarHBondContact O-N 3.39Å; N7-R10 PolarHBondContact O-N 3.08Å; D8-R10 VanDerWaalsContact C-N 3.3Å; D8-R10 PolarHBondContact O-N 3.08Å; R10-G14 PolarHBondContact O-N 2.91Å; R10-G14 VanDerWaalsContact O-N 3.13Å; R10-C15 WeakPolarHBondContact CD-O 3.37Å; R10-C15 HydrophobicContact CG-CB 4.3Å; R10-C15 WeakPolarHBondContact CG-O 3.47Å; R10-C15 PolarHBondContact NE-O 3.38Å; R10-C15 PolarHBondContact O-N 3.16Å; R10-D16 PolarHBondContact NH2-O 2.99Å |
| 11 | G | 68.5 | Low | 64.9 | Low | 65 Ų | 65 | 65.3 Ų | 65.3 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | N7 D8 L9 | N7-G11 PolarHBondContact O-N 3.37Å; D8-G11 PolarHBondContact O-N 3.49Å; L9-G11 VanDerWaalsContact C-N 3.34Å |
| 12 | V | 69.4 | Low | 65.6 | Low | 64 Ų | 64 | 66.8 Ų | 66.8 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 179.4 | 171 | 0 | 0 | 0 | 0 | 112.1 | D8 L9 I97 L98 | D8-V12 WeakPolarHBondContact O-CG2 3.38Å; D8-V12 PolarHBondContact O-N 3.15Å; L9-V12 PolarHBondContact O-N 3.31Å; V12-I97 HydrophobicContact CG1-CG2 3.83Å; V12-I97 VanDerWaalsContact CG1-O 3.23Å; V12-I97 WeakPolarHBondContact CG1-O 3.29Å; V12-L98 HydrophobicContact CG1-CD2 4.35Å; V12-L98 HydrophobicContact CG2-CD2 4.37Å |
| 13 | F | 70.4 | Confident | 65.8 | Low | 48 Ų | 48 | 64.4 Ų | 64.4 | 21% | 0.211 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | -175.6 | -63.6 | -61.7 | 0 | 0 | 0 | 114.4 | L9 C15 L26 F27 Q30 I97 | L9-F13 HydrophobicContact CB-CD2 4.34Å; L9-F13 HydrophobicContact CB-CE2 4.49Å; L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 2.97Å; F13-C15 VanDerWaalsContact C-N 3.25Å; F13-C15 PolarHBondContact O-N 3.18Å; F13-L26 HydrophobicContact CB-CD1 4.41Å; F13-L26 HydrophobicContact CD2-CB 4.43Å; F13-F27 HydrophobicContact CE2-CB 4.19Å; F13-Q30 HydrophobicContact CE1-CG 4.02Å; F13-Q30 HydrophobicContact CZ-CG 4.18Å; F13-I97 HydrophobicContact CE1-CG2 4.23Å; F13-I97 HydrophobicContact CZ-CG2 4.27Å |
| 14 | G | 64.7 | Low | 66.2 | Low | 64 Ų | 64 | 62.5 Ų | 62.5 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 33.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | R10 | R10-G14 PolarHBondContact O-N 2.91Å; R10-G14 VanDerWaalsContact O-N 3.13Å |
| 15 | C | 62 | Low | 66.8 | Low | 15 Ų | 15 | 65 Ų | 65 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | trans | -86.8 | 121.6 | -174.4 | -75.1 | 0 | 0 | 0 | 0 | 112 | R10 F13 A17 L26 | R10-C15 WeakPolarHBondContact CD-O 3.37Å; R10-C15 HydrophobicContact CG-CB 4.3Å; R10-C15 WeakPolarHBondContact CG-O 3.47Å; R10-C15 PolarHBondContact NE-O 3.38Å; R10-C15 PolarHBondContact O-N 3.16Å; F13-C15 VanDerWaalsContact C-N 3.25Å; F13-C15 PolarHBondContact O-N 3.18Å; C15-A17 VanDerWaalsContact C-N 3.25Å; C15-A17 PolarHBondContact O-N 2.94Å; C15-L26 WeakPolarHBondContact SG-CD1 3.41Å | ||
| 16 | D | 57.5 | Low | 67.3 | Low | 150 Ų | 150 | 66.7 Ų | 66.7 | 80% | 0.802 | 38% | 0.383 | S | S | * | . | trans | -78 | -9.7 | 173.2 | -78.6 | -26.5 | 0 | 0 | 0 | 113.4 | R10 | R10-D16 PolarHBondContact NH2-O 2.99Š| ||
| 17 | A | 57.6 | Low | 67.7 | Low | 39 Ų | 39 | 65.8 Ų | 65.8 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | trans | -70 | 134.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C15 D19 F22 | C15-A17 VanDerWaalsContact C-N 3.25Å; C15-A17 PolarHBondContact O-N 2.94Å; A17-D19 PolarHBondContact O-N 3.09Å; A17-F22 HydrophobicContact CB-CD1 4.43Å | ||
| 18 | I | 57.2 | Low | 68.4 | Low | 152 Ų | 152 | 62.9 Ų | 62.9 | 78% | 0.779 | 36% | 0.362 | S | S | * | . | trans | -74.8 | -10.8 | 174.4 | -58.6 | 165.5 | 0 | 0 | 0 | 110.9 | S20 | I18-S20 PolarHBondContact O-N 2.9Š| ||
| 19 | D | 62.9 | Low | 69 | Low | 102 Ų | 102 | 65.4 Ų | 65.4 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | trans | -87 | 116.3 | -167.6 | -147 | -16.4 | 0 | 0 | 0 | 112.4 | A17 C21 F22 | A17-D19 PolarHBondContact O-N 3.09Å; D19-C21 PolarHBondContact O-N 3.1Å; D19-C21 VanDerWaalsContact O-N 3.15Å; D19-F22 PolarHBondContact O-N 3.17Å | ||
| 20 | S | 64.2 | Low | 69.5 | Low | 53 Ų | 53 | 67.9 Ų | 67.9 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -21 | -176.6 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | H6 I18 | H6-S20 VanDerWaalsContact CE1-CA 3.49Å; H6-S20 WeakPolarHBondContact CE1-CA 3.28Å; I18-S20 PolarHBondContact O-N 2.9Å |
| 21 | C | 66.2 | Low | 69.8 | Low | 72 Ų | 72 | 64.1 Ų | 64.1 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 177.9 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | D19 C23 K24 E25 | D19-C21 PolarHBondContact O-N 3.1Å; D19-C21 VanDerWaalsContact O-N 3.15Å; C21-C23 PolarHBondContact O-N 3.01Å; C21-K24 WeakPolarHBondContact O-CB 3.35Å; C21-K24 PolarHBondContact O-N 3Å; C21-K24 VanDerWaalsContact O-N 3.15Å; C21-E25 PolarHBondContact O-N 3.45Å |
| 22 | F | 73 | Confident | 70.3 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | -174.6 | -172.3 | -108.2 | 0 | 0 | 0 | 112.4 | A17 D19 K24 E25 L26 | A17-F22 HydrophobicContact CB-CD1 4.43Å; D19-F22 PolarHBondContact O-N 3.17Å; F22-K24 PolarHBondContact O-N 3.05Å; F22-E25 PolarHBondContact O-N 2.82Å; F22-L26 HydrophobicContact CD1-CD1 3.75Å; F22-L26 HydrophobicContact CE1-CD1 3.4Å; F22-L26 VanDerWaalsContact CE1-CD1 3.4Å; F22-L26 HydrophobicContact CE1-CG 4.36Å; F22-L26 HydrophobicContact CZ-CD1 3.93Å; F22-L26 HydrophobicContact CZ-CG 4.46Å; F22-L26 PolarHBondContact O-N 3.47Å; F22-L26 VanDerWaalsContact O-N 3.08Å |
| 23 | C | 69.1 | Low | 70.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -30 | 175.1 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | H6 L9 C21 F27 | H6-C23 VanDerWaalsContact CE1-SG 3.54Å; L9-C23 HydrophobicContact CB-CB 4.06Å; C21-C23 PolarHBondContact O-N 3.01Å; C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 3.12Å |
| 24 | K | 72.9 | Confident | 71.5 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.2 | -42.3 | 176.1 | -170.2 | -172.3 | 176.6 | -166.2 | 0 | 111.4 | M1 C21 F22 F27 F28 D114 | M1-K24 HydrophobicContact SD-CB 3.78Å; M1-K24 HydrophobicContact SD-CG 4.19Å; C21-K24 WeakPolarHBondContact O-CB 3.35Å; C21-K24 PolarHBondContact O-N 3Å; C21-K24 VanDerWaalsContact O-N 3.15Å; F22-K24 PolarHBondContact O-N 3.05Å; K24-F27 PolarHBondContact O-N 3.12Å; K24-F28 HydrophobicContact CD-CE2 4.21Å; K24-F28 HydrophobicContact CD-CZ 4.19Å; K24-F28 HydrophobicContact CG-CD2 4.48Å; K24-F28 HydrophobicContact CG-CE1 4.24Å; K24-F28 HydrophobicContact CG-CE2 3.97Å; K24-F28 HydrophobicContact CG-CZ 3.83Å; K24-F28 VanDerWaalsContact O-CG 3.32Å; K24-F28 WeakPolarHBondContact O-CG 3.41Å; K24-F28 PolarHBondContact O-N 2.86Å; K24-D114 VanDerWaalsContact CE-OD2 3.26Å; K24-D114 WeakPolarHBondContact CE-OD2 3.36Å; K24-D114 IonicContact NZ-OD2 2.64Å; K24-D114 PolarHBondContact NZ-OD2 3.03Å |
| 25 | E | 77.5 | Confident | 71.9 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.8 | -73.7 | 176.8 | 176.2 | 0 | 0 | 111.6 | C21 F22 F27 F28 E29 | C21-E25 PolarHBondContact O-N 3.45Å; F22-E25 PolarHBondContact O-N 2.82Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 3.3Å; E25-F28 CarbonylContact O-C 3.58Å; E25-F28 WeakPolarHBondContact O-CA 3.37Å; E25-F28 WeakPolarHBondContact O-CB 3.27Å; E25-F28 PolarHBondContact O-N 3.23Å; E25-F28 VanDerWaalsContact O-N 3.08Å; E25-E29 PolarHBondContact O-N 2.97Å |
| 26 | L | 75.5 | Confident | 72.6 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 19% | 0.194 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 175.3 | -81.5 | 161.1 | 0 | 0 | 0 | 112.6 | F13 C15 F22 F28 E29 Q30 | F13-L26 HydrophobicContact CB-CD1 4.41Å; F13-L26 HydrophobicContact CD2-CB 4.43Å; C15-L26 WeakPolarHBondContact SG-CD1 3.41Å; F22-L26 HydrophobicContact CD1-CD1 3.75Å; F22-L26 HydrophobicContact CE1-CD1 3.4Å; F22-L26 VanDerWaalsContact CE1-CD1 3.4Å; F22-L26 HydrophobicContact CE1-CG 4.36Å; F22-L26 HydrophobicContact CZ-CD1 3.93Å; F22-L26 HydrophobicContact CZ-CG 4.46Å; F22-L26 PolarHBondContact O-N 3.47Å; F22-L26 VanDerWaalsContact O-N 3.08Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.2Å; L26-E29 PolarHBondContact O-N 3.01Å; L26-Q30 WeakPolarHBondContact O-CG 3.43Å; L26-Q30 PolarHBondContact O-N 2.91Å; L26-Q30 VanDerWaalsContact O-N 3.16Å |
| 27 | F | 77.9 | Confident | 73.4 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.7 | 173.6 | -115 | 0 | 0 | 0 | 111.8 | L9 F13 C23 K24 E25 Q30 I31 L94 L98 I105 I111 V115 | L9-F27 HydrophobicContact CD1-CB 4.25Å; F13-F27 HydrophobicContact CE2-CB 4.19Å; C23-F27 WeakPolarHBondContact O-CB 3.48Å; C23-F27 PolarHBondContact O-N 3.12Å; K24-F27 PolarHBondContact O-N 3.12Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 3.3Å; F27-Q30 PolarHBondContact O-N 3.38Å; F27-I31 HydrophobicContact CD1-CD1 4.29Å; F27-I31 HydrophobicContact CE1-CD1 3.73Å; F27-I31 HydrophobicContact CE2-CD1 4.17Å; F27-I31 HydrophobicContact CZ-CD1 3.67Å; F27-I31 HydrophobicContact CZ-CG1 4.49Å; F27-I31 PolarHBondContact O-N 2.92Å; F27-L94 HydrophobicContact CE2-CD1 4.2Å; F27-L94 HydrophobicContact CE2-CD2 4Å; F27-L94 HydrophobicContact CZ-CD1 4.26Å; F27-L98 HydrophobicContact CD2-CD1 3.93Å; F27-L98 HydrophobicContact CE2-CD1 3.45Å; F27-L98 VanDerWaalsContact CE2-CD1 3.45Å; F27-L98 HydrophobicContact CZ-CD1 4.46Å; F27-I105 HydrophobicContact CE1-CG2 4.18Å; F27-I105 HydrophobicContact CE2-CD1 4.16Å; F27-I105 HydrophobicContact CZ-CD1 4.12Å; F27-I105 HydrophobicContact CZ-CG2 4.04Å; F27-I111 HydrophobicContact CE1-CG2 4.34Å; F27-V115 HydrophobicContact CE1-CG2 3.71Å; F27-V115 HydrophobicContact CZ-CG2 4.41Å |
| 28 | F | 80.8 | Confident | 74.2 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 176 | -72.6 | -3.1 | 0 | 0 | 0 | 112.8 | K24 E25 L26 Q30 I31 V32 D114 V115 L118 | K24-F28 HydrophobicContact CD-CE2 4.21Å; K24-F28 HydrophobicContact CD-CZ 4.19Å; K24-F28 HydrophobicContact CG-CD2 4.48Å; K24-F28 HydrophobicContact CG-CE1 4.24Å; K24-F28 HydrophobicContact CG-CE2 3.97Å; K24-F28 HydrophobicContact CG-CZ 3.83Å; K24-F28 VanDerWaalsContact O-CG 3.32Å; K24-F28 WeakPolarHBondContact O-CG 3.41Å; K24-F28 PolarHBondContact O-N 2.86Å; E25-F28 CarbonylContact O-C 3.58Å; E25-F28 WeakPolarHBondContact O-CA 3.37Å; E25-F28 WeakPolarHBondContact O-CB 3.27Å; E25-F28 PolarHBondContact O-N 3.23Å; E25-F28 VanDerWaalsContact O-N 3.08Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.2Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 2.87Å; F28-I31 PolarHBondContact O-N 3.28Å; F28-V32 WeakPolarHBondContact O-CG2 3.44Å; F28-V32 PolarHBondContact O-N 3.45Å; F28-D114 HydrophobicContact CE1-CB 4.47Å; F28-D114 HydrophobicContact CE2-CB 4.06Å; F28-D114 HydrophobicContact CZ-CB 3.5Å; F28-V115 HydrophobicContact CD1-CG2 4.33Å; F28-V115 HydrophobicContact CE1-CG2 3.72Å; F28-L118 HydrophobicContact CB-CD1 3.57Å; F28-L118 HydrophobicContact CD1-CD1 4.48Å; F28-L118 HydrophobicContact CD2-CD1 3.99Å; F28-L118 HydrophobicContact CG-CD1 3.78Å |
| 29 | E | 81.6 | Confident | 74.8 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 58% | 0.575 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 173.8 | -73.9 | -172.6 | 162.9 | 0 | 0 | 112.3 | E25 L26 I31 V32 Y33 | E25-E29 PolarHBondContact O-N 2.97Å; L26-E29 PolarHBondContact O-N 3.01Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 3.35Å; E29-V32 PolarHBondContact O-N 3.34Å; E29-Y33 VanDerWaalsContact O-CB 3.28Å; E29-Y33 WeakPolarHBondContact O-CB 3.29Å; E29-Y33 PolarHBondContact O-N 2.93Å |
| 30 | Q | 80 | Confident | 75.1 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 175.5 | -64.8 | -55.2 | -50.9 | 0 | 0 | 112.2 | F13 L26 F27 F28 F34 Y93 | F13-Q30 HydrophobicContact CE1-CG 4.02Å; F13-Q30 HydrophobicContact CZ-CG 4.18Å; L26-Q30 WeakPolarHBondContact O-CG 3.43Å; L26-Q30 PolarHBondContact O-N 2.91Å; L26-Q30 VanDerWaalsContact O-N 3.16Å; F27-Q30 PolarHBondContact O-N 3.38Å; F28-Q30 VanDerWaalsContact C-N 3.31Å; F28-Q30 PolarHBondContact O-N 2.87Å; Q30-F34 WeakPolarHBondContact O-CB 3.43Å; Q30-F34 PolarHBondContact O-N 3.5Å; Q30-Y93 PolarHBondContact OE1-OH 2.92Å; Q30-Y93 VanDerWaalsContact OE1-OH 3.1Å |
| 31 | I | 77.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 176.1 | -64.7 | 174.4 | 0 | 0 | 0 | 110.8 | F27 F28 E29 Y33 F34 L35 L90 L94 V115 L118 V119 | F27-I31 HydrophobicContact CD1-CD1 4.29Å; F27-I31 HydrophobicContact CE1-CD1 3.73Å; F27-I31 HydrophobicContact CE2-CD1 4.17Å; F27-I31 HydrophobicContact CZ-CD1 3.67Å; F27-I31 HydrophobicContact CZ-CG1 4.49Å; F27-I31 PolarHBondContact O-N 2.92Å; F28-I31 PolarHBondContact O-N 3.28Å; E29-I31 VanDerWaalsContact C-N 3.32Å; E29-I31 PolarHBondContact O-N 3.35Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 3.35Å; I31-F34 PolarHBondContact O-N 3.47Å; I31-L35 HydrophobicContact CG2-CD1 4.12Å; I31-L35 WeakPolarHBondContact O-CG 3.2Å; I31-L35 PolarHBondContact O-N 2.83Å; I31-L90 HydrophobicContact CG2-CD1 4.44Å; I31-L94 HydrophobicContact CD1-CD1 4.37Å; I31-L94 HydrophobicContact CG1-CD1 4.25Å; I31-L94 HydrophobicContact CG1-CD2 4.12Å; I31-V115 HydrophobicContact CD1-CB 4.43Å; I31-V115 HydrophobicContact CD1-CG1 3.82Å; I31-V115 HydrophobicContact CD1-CG2 3.82Å; I31-L118 HydrophobicContact CB-CD2 4.14Å; I31-L118 HydrophobicContact CG2-CD2 3.64Å; I31-V119 HydrophobicContact CG2-CG2 4.12Å |
| 32 | V | 79.7 | Confident | 75.5 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | F28 E29 F34 L35 Q36 L118 V122 | F28-V32 WeakPolarHBondContact O-CG2 3.44Å; F28-V32 PolarHBondContact O-N 3.45Å; E29-V32 PolarHBondContact O-N 3.34Å; V32-F34 PolarHBondContact O-N 2.9Å; V32-L35 PolarHBondContact O-N 3.21Å; V32-Q36 HydrophobicContact CG1-CG 4.21Å; V32-Q36 WeakPolarHBondContact O-CB 3.48Å; V32-Q36 WeakPolarHBondContact O-CG 3.29Å; V32-Q36 PolarHBondContact O-N 3.13Å; V32-L118 HydrophobicContact CG2-CD1 3.99Å; V32-L118 HydrophobicContact CG2-CD2 3.73Å; V32-L118 HydrophobicContact CG2-CG 4.08Å; V32-V122 HydrophobicContact CG2-CG2 4.31Å |
| 33 | Y | 81.6 | Confident | 75.5 | Confident | 134 Ų | 134 | 54 Ų | 54 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 179.1 | 178.1 | -100.8 | 0 | 0 | 0 | 111.7 | E29 I31 Q36 T37 | E29-Y33 VanDerWaalsContact O-CB 3.28Å; E29-Y33 WeakPolarHBondContact O-CB 3.29Å; E29-Y33 PolarHBondContact O-N 2.93Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 3.35Å; Y33-Q36 PolarHBondContact O-N 3.21Å; Y33-T37 HydrophobicContact CD2-CG2 4.19Å; Y33-T37 HydrophobicContact CE1-CG2 4.2Å; Y33-T37 HydrophobicContact CE2-CG2 3.79Å; Y33-T37 WeakPolarHBondContact O-CB 3.45Å; Y33-T37 WeakPolarHBondContact O-CG2 3.49Å; Y33-T37 PolarHBondContact O-N 3.39Å; Y33-T37 PolarHBondContact O-OG1 3.18Å |
| 34 | F | 81.6 | Confident | 75.6 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 175.5 | 178.5 | -90.9 | 0 | 0 | 0 | 111.5 | Q30 I31 V32 Q36 T37 S38 L86 E89 L90 Y93 | Q30-F34 WeakPolarHBondContact O-CB 3.43Å; Q30-F34 PolarHBondContact O-N 3.5Å; I31-F34 PolarHBondContact O-N 3.47Å; V32-F34 PolarHBondContact O-N 2.9Å; F34-Q36 VanDerWaalsContact C-N 3.31Å; F34-Q36 PolarHBondContact O-N 2.68Å; F34-T37 PolarHBondContact O-N 2.99Å; F34-T37 PolarHBondContact O-OG1 3.33Å; F34-S38 VanDerWaalsContact O-CB 3.29Å; F34-S38 WeakPolarHBondContact O-CB 3.39Å; F34-S38 PolarHBondContact O-N 2.82Å; F34-L86 HydrophobicContact CE1-CD1 4.12Å; F34-E89 HydrophobicContact CZ-CB 3.75Å; F34-L90 HydrophobicContact CD1-CB 4.03Å; F34-L90 HydrophobicContact CD1-CD1 3.77Å; F34-L90 HydrophobicContact CD1-CG 3.94Å; F34-L90 HydrophobicContact CE1-CB 3.61Å; F34-L90 HydrophobicContact CE1-CD1 4.09Å; F34-L90 HydrophobicContact CE1-CG 4.06Å; F34-L90 HydrophobicContact CZ-CB 4.23Å; F34-Y93 HydrophobicContact CB-CD1 3.81Å; F34-Y93 HydrophobicContact CB-CE1 3.76Å; F34-Y93 AromaticContact CD2-CD1 3.56Å; F34-Y93 HydrophobicContact CD2-CD1 3.56Å; F34-Y93 AromaticContact CD2-CD2 3.93Å; F34-Y93 HydrophobicContact CD2-CD2 3.93Å; F34-Y93 HydrophobicContact CD2-CE1 4.13Å; F34-Y93 HydrophobicContact CD2-CE2 4.45Å; F34-Y93 AromaticContact CD2-CG 3.43Å; F34-Y93 HydrophobicContact CD2-CG 3.43Å; F34-Y93 VanDerWaalsContact CD2-CG 3.43Å; F34-Y93 HydrophobicContact CE2-CD1 4.45Å; F34-Y93 HydrophobicContact CE2-CD2 4.45Å; F34-Y93 AromaticContact CE2-CG 3.97Å; F34-Y93 HydrophobicContact CE2-CG 3.97Å; F34-Y93 AromaticContact CG-CD1 3.85Å; F34-Y93 HydrophobicContact CG-CD1 3.85Å; F34-Y93 HydrophobicContact CG-CE1 4.28Å; F34-Y93 HydrophobicContact CG-CG 4.19Å |
| 35 | L | 74.5 | Confident | 75.5 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | -179.4 | -71.4 | 174.1 | 0 | 0 | 0 | 112.6 | I31 V32 S38 L86 L90 V119 V122 | I31-L35 HydrophobicContact CG2-CD1 4.12Å; I31-L35 WeakPolarHBondContact O-CG 3.2Å; I31-L35 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 3.21Å; L35-S38 PolarHBondContact O-OG 2.9Å; L35-L86 HydrophobicContact CD2-CD2 4Å; L35-L90 HydrophobicContact CD2-CD1 4.03Å; L35-L90 HydrophobicContact CG-CD1 4.34Å; L35-V119 HydrophobicContact CD1-CB 4.34Å; L35-V119 HydrophobicContact CD1-CG1 4.26Å; L35-V119 HydrophobicContact CD1-CG2 4.05Å; L35-V122 HydrophobicContact CB-CG1 4.04Å; L35-V122 HydrophobicContact CD1-CB 4.16Å; L35-V122 HydrophobicContact CD1-CG1 4.12Å; L35-V122 HydrophobicContact CD1-CG2 4.44Å |
| 36 | Q | 77.2 | Confident | 75.4 | Confident | 143 Ų | 143 | 52.5 Ų | 52.5 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -72.5 | -29.8 | 177.7 | -73.1 | 179.3 | -8.2 | 0 | 0 | 113.6 | V32 Y33 F34 | V32-Q36 HydrophobicContact CG1-CG 4.21Å; V32-Q36 WeakPolarHBondContact O-CB 3.48Å; V32-Q36 WeakPolarHBondContact O-CG 3.29Å; V32-Q36 PolarHBondContact O-N 3.13Å; Y33-Q36 PolarHBondContact O-N 3.21Å; F34-Q36 VanDerWaalsContact C-N 3.31Å; F34-Q36 PolarHBondContact O-N 2.68Å |
| 37 | T | 74.3 | Confident | 75.3 | Confident | 83 Ų | 83 | 51.2 Ų | 51.2 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -92.9 | -16.4 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | Y33 F34 | Y33-T37 HydrophobicContact CD2-CG2 4.19Å; Y33-T37 HydrophobicContact CE1-CG2 4.2Å; Y33-T37 HydrophobicContact CE2-CG2 3.79Å; Y33-T37 WeakPolarHBondContact O-CB 3.45Å; Y33-T37 WeakPolarHBondContact O-CG2 3.49Å; Y33-T37 PolarHBondContact O-N 3.39Å; Y33-T37 PolarHBondContact O-OG1 3.18Å; F34-T37 PolarHBondContact O-N 2.99Å; F34-T37 PolarHBondContact O-OG1 3.33Å |
| 38 | S | 73.2 | Confident | 75 | Confident | 18 Ų | 18 | 52 Ų | 52 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -62.6 | 151.6 | 174.9 | 73 | 0 | 0 | 0 | 0 | 111.8 | F34 L35 L40 | F34-S38 VanDerWaalsContact O-CB 3.29Å; F34-S38 WeakPolarHBondContact O-CB 3.39Å; F34-S38 PolarHBondContact O-N 2.82Å; L35-S38 PolarHBondContact O-OG 2.9Å; S38-L40 PolarHBondContact O-N 2.95Å; S38-L40 WeakPolarHBondContact OG-CB 3.46Å |
| 39 | S | 70.8 | Confident | 74.7 | Confident | 53 Ų | 53 | 56 Ų | 56 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 2.4 | 174.6 | 70 | 0 | 0 | 0 | 0 | 113.6 | A41 S42 Q43 | S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 3.07Å; S39-S42 PolarHBondContact O-N 2.82Å; S39-S42 PolarHBondContact O-OG 3.4Å; S39-Q43 PolarHBondContact O-N 3.15Å; S39-Q43 PolarHBondContact OG-NE2 3.41Å |
| 40 | L | 68.3 | Low | 74.3 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.3 | -46.8 | -175.1 | -171.6 | 83.1 | 0 | 0 | 0 | 113.2 | S38 S42 Q43 L44 L82 I83 L86 L123 | S38-L40 PolarHBondContact O-N 2.95Å; S38-L40 WeakPolarHBondContact OG-CB 3.46Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.79Å; L40-Q43 PolarHBondContact O-N 2.85Å; L40-L44 HydrophobicContact CD1-CD1 4.38Å; L40-L44 HydrophobicContact CD2-CD1 3.87Å; L40-L44 HydrophobicContact CG-CD1 3.78Å; L40-L44 HydrophobicContact CG-CG 4.26Å; L40-L44 WeakPolarHBondContact O-CB 3.21Å; L40-L44 WeakPolarHBondContact O-CG 3.44Å; L40-L44 PolarHBondContact O-N 2.99Å; L40-L82 HydrophobicContact CD1-CD2 3.57Å; L40-I83 HydrophobicContact CD1-CD1 4.15Å; L40-L86 HydrophobicContact CB-CD1 4.23Å; L40-L86 HydrophobicContact CD1-CB 4.15Å; L40-L86 HydrophobicContact CD1-CD1 3.83Å; L40-L86 HydrophobicContact CD1-CD2 3.27Å; L40-L86 HydrophobicContact CD1-CG 3.91Å; L40-L86 HydrophobicContact CD2-CD2 3.84Å; L40-L86 HydrophobicContact CG-CD2 4.05Å; L40-L123 HydrophobicContact CD2-CD2 3.39Å |
| 41 | A | 66.7 | Low | 73.7 | Confident | 55 Ų | 55 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S39 S45 L126 | S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 3.07Å; A41-S45 WeakPolarHBondContact O-CB 3.44Å; A41-S45 PolarHBondContact O-N 2.78Å; A41-L126 HydrophobicContact CB-CD2 3.8Å |
| 42 | S | 72.3 | Confident | 73.2 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.8 | -42.5 | 177.1 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | S39 L40 S45 T46 | S39-S42 PolarHBondContact O-N 2.82Å; S39-S42 PolarHBondContact O-OG 3.4Å; L40-S42 VanDerWaalsContact C-N 3.26Å; L40-S42 PolarHBondContact O-N 2.79Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 3.36Å; S42-T46 PolarHBondContact O-N 3.48Å; S42-T46 PolarHBondContact O-OG1 3.36Å; S42-T46 VanDerWaalsContact O-OG1 3.07Å |
| 43 | Q | 73.1 | Confident | 72.5 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -179.9 | -63.7 | -179.1 | -11.4 | 0 | 0 | 112.2 | S39 L40 S45 T46 L47 L82 | S39-Q43 PolarHBondContact O-N 3.15Å; S39-Q43 PolarHBondContact OG-NE2 3.41Å; L40-Q43 PolarHBondContact O-N 2.85Å; Q43-S45 VanDerWaalsContact C-N 3.33Å; Q43-T46 PolarHBondContact O-N 3.44Å; Q43-L47 PolarHBondContact O-N 3.31Å; Q43-L82 HydrophobicContact CB-CD1 3.63Å; Q43-L82 HydrophobicContact CB-CG 4.33Å |
| 44 | L | 71.1 | Confident | 71.6 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 171.6 | -77.3 | 172.7 | 0 | 0 | 0 | 111.5 | L40 L47 V48 F79 L82 | L40-L44 HydrophobicContact CD1-CD1 4.38Å; L40-L44 HydrophobicContact CD2-CD1 3.87Å; L40-L44 HydrophobicContact CG-CD1 3.78Å; L40-L44 HydrophobicContact CG-CG 4.26Å; L40-L44 WeakPolarHBondContact O-CB 3.21Å; L40-L44 WeakPolarHBondContact O-CG 3.44Å; L40-L44 PolarHBondContact O-N 2.99Å; L44-L47 PolarHBondContact O-N 3.4Å; L44-V48 WeakPolarHBondContact O-CB 3.39Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.34Å; L44-V48 PolarHBondContact O-N 3.04Å; L44-F79 HydrophobicContact CD2-CD2 4.18Å; L44-F79 HydrophobicContact CD2-CE2 3.79Å; L44-L82 HydrophobicContact CD2-CD2 4.33Å; L44-L82 HydrophobicContact CG-CD2 4.42Å |
| 45 | S | 70.6 | Confident | 70.2 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.2 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | A41 S42 Q43 L47 V48 E49 | A41-S45 WeakPolarHBondContact O-CB 3.44Å; A41-S45 PolarHBondContact O-N 2.78Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 3.36Å; Q43-S45 VanDerWaalsContact C-N 3.33Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.2Å; S45-V48 PolarHBondContact O-N 3.09Å; S45-E49 WeakPolarHBondContact O-CG 3.41Å; S45-E49 PolarHBondContact O-N 3.44Å |
| 46 | T | 76.1 | Confident | 69.2 | Low | 75 Ų | 75 | 64.7 Ų | 64.7 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.2 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | S42 Q43 E49 E50 | S42-T46 PolarHBondContact O-N 3.48Å; S42-T46 PolarHBondContact O-OG1 3.36Å; S42-T46 VanDerWaalsContact O-OG1 3.07Å; Q43-T46 PolarHBondContact O-N 3.44Å; T46-E49 WeakPolarHBondContact O-CB 3.25Å; T46-E49 PolarHBondContact O-N 2.92Å; T46-E50 PolarHBondContact O-N 3.08Å |
| 47 | L | 73.4 | Confident | 68.2 | Low | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 178.1 | -161.2 | 144 | 0 | 0 | 0 | 111.9 | Q43 L44 S45 E49 E50 C51 L78 F79 L82 L132 L135 | Q43-L47 PolarHBondContact O-N 3.31Å; L44-L47 PolarHBondContact O-N 3.4Å; S45-L47 VanDerWaalsContact C-N 3.33Å; S45-L47 PolarHBondContact O-N 3.2Å; L47-E49 VanDerWaalsContact C-N 3.35Å; L47-E50 PolarHBondContact O-N 3.48Å; L47-C51 PolarHBondContact O-N 3.48Å; L47-C51 PolarHBondContact O-SG 3.1Å; L47-L78 HydrophobicContact CD1-CB 4.27Å; L47-F79 HydrophobicContact CD1-CB 3.85Å; L47-F79 HydrophobicContact CD1-CD2 4.27Å; L47-F79 HydrophobicContact CD2-CB 4.39Å; L47-F79 HydrophobicContact CD2-CD2 4.33Å; L47-L82 HydrophobicContact CD1-CD1 4.35Å; L47-L132 HydrophobicContact CD2-CD2 4.44Å; L47-L135 HydrophobicContact CD2-CD1 3.7Å |
| 48 | V | 71.7 | Confident | 67.4 | Low | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.109 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L44 S45 C51 N52 C128 F131 | L44-V48 WeakPolarHBondContact O-CB 3.39Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.34Å; L44-V48 PolarHBondContact O-N 3.04Å; S45-V48 PolarHBondContact O-N 3.09Å; V48-C51 WeakPolarHBondContact O-CB 3.41Å; V48-C51 PolarHBondContact O-N 3.45Å; V48-N52 PolarHBondContact O-N 2.83Å; V48-N52 PolarHBondContact O-ND2 3.08Å; V48-C128 HydrophobicContact CG2-CB 4.44Å; V48-F131 HydrophobicContact CG1-CB 4Å; V48-F131 HydrophobicContact CG1-CD1 4.11Å; V48-F131 HydrophobicContact CG1-CD2 4.22Å; V48-F131 HydrophobicContact CG1-CG 3.85Å; V48-F131 HydrophobicContact CG2-CB 4.16Å |
| 49 | E | 74.2 | Confident | 66.8 | Low | 118 Ų | 118 | 65.1 Ų | 65.1 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | 173.2 | -76.2 | 173.3 | -166.6 | 0 | 0 | 111.9 | S45 T46 L47 N52 C53 | S45-E49 WeakPolarHBondContact O-CG 3.41Å; S45-E49 PolarHBondContact O-N 3.44Å; T46-E49 WeakPolarHBondContact O-CB 3.25Å; T46-E49 PolarHBondContact O-N 2.92Å; L47-E49 VanDerWaalsContact C-N 3.35Å; E49-N52 PolarHBondContact O-N 2.89Å; E49-C53 PolarHBondContact O-N 3.49Å; E49-C53 VanDerWaalsContact O-N 3.14Å; E49-C53 PolarHBondContact O-SG 3.31Å |
| 50 | E | 72.6 | Confident | 66.8 | Low | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.2 | -72.6 | -170.5 | 175 | 0 | 0 | 112.2 | T46 L47 N52 C53 L75 | T46-E50 PolarHBondContact O-N 3.08Å; L47-E50 PolarHBondContact O-N 3.48Å; E50-N52 PolarHBondContact O-N 3.16Å; E50-C53 PolarHBondContact O-N 2.85Å; E50-L75 HydrophobicContact CB-CD2 3.97Å |
| 51 | C | 67.3 | Low | 67.3 | Low | 7 Ų | 7 | 67.7 Ų | 67.7 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | L47 V48 C53 L54 I57 | L47-C51 PolarHBondContact O-N 3.48Å; L47-C51 PolarHBondContact O-SG 3.1Å; V48-C51 WeakPolarHBondContact O-CB 3.41Å; V48-C51 PolarHBondContact O-N 3.45Å; C51-C53 VanDerWaalsContact C-N 3.27Å; C51-C53 PolarHBondContact O-N 3.04Å; C51-L54 PolarHBondContact O-N 2.93Å; C51-I57 HydrophobicContact CB-CD1 4.34Å; C51-I57 WeakPolarHBondContact O-CD1 3.39Å |
| 52 | N | 67.7 | Low | 68 | Low | 97 Ų | 97 | 65.9 Ų | 65.9 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -25.3 | -179.1 | -76.8 | -32.3 | 0 | 0 | 0 | 113.7 | V48 E49 E50 L54 F131 | V48-N52 PolarHBondContact O-N 2.83Å; V48-N52 PolarHBondContact O-ND2 3.08Å; E49-N52 PolarHBondContact O-N 2.89Å; E50-N52 PolarHBondContact O-N 3.16Å; N52-L54 PolarHBondContact O-N 3.43Å; N52-F131 WeakPolarHBondContact OD1-CD1 3.33Å; N52-F131 WeakPolarHBondContact OD1-CE1 3.03Å |
| 53 | C | 64.2 | Low | 68.5 | Low | 102 Ų | 102 | 65.3 Ų | 65.3 | 69% | 0.689 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -73.7 | -15.9 | 178.1 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | E49 E50 C51 V55 | E49-C53 PolarHBondContact O-N 3.49Å; E49-C53 VanDerWaalsContact O-N 3.14Å; E49-C53 PolarHBondContact O-SG 3.31Å; E50-C53 PolarHBondContact O-N 2.85Å; C51-C53 VanDerWaalsContact C-N 3.27Å; C51-C53 PolarHBondContact O-N 3.04Å; C53-V55 PolarHBondContact O-N 3.47Å |
| 54 | L | 62.5 | Low | 69 | Low | 40 Ų | 40 | 64.4 Ų | 64.4 | 21% | 0.209 | 36% | 0.363 | C | S | . | . | trans | -88.7 | 97 | -178.7 | -66.4 | 170.6 | 0 | 0 | 0 | 110.7 | C51 N52 N56 I57 D71 L75 | C51-L54 PolarHBondContact O-N 2.93Å; N52-L54 PolarHBondContact O-N 3.43Å; L54-N56 PolarHBondContact O-N 2.94Å; L54-I57 HydrophobicContact CB-CD1 3.96Å; L54-I57 HydrophobicContact CB-CG1 3.85Å; L54-I57 HydrophobicContact CD1-CD1 4.43Å; L54-I57 PolarHBondContact O-N 3.35Å; L54-D71 HydrophobicContact CD1-CB 3.73Å; L54-D71 HydrophobicContact CD2-CB 4.08Å; L54-L75 HydrophobicContact CD1-CD1 3.39Å; L54-L75 HydrophobicContact CD1-CG 4.48Å | ||
| 55 | V | 51.5 | Low | 69.6 | Low | 130 Ų | 130 | 65.5 Ų | 65.5 | 79% | 0.788 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -19.5 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | C53 | C53-V55 PolarHBondContact O-N 3.47Š|
| 56 | N | 54.2 | Low | 70.2 | Confident | 99 Ų | 99 | 63 Ų | 63 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.6 | -173.9 | -78.2 | -18.3 | 0 | 0 | 0 | 115.8 | L54 S58 T59 I60 | L54-N56 PolarHBondContact O-N 2.94Å; N56-S58 VanDerWaalsContact C-N 3.25Å; N56-S58 PolarHBondContact O-N 2.83Å; N56-T59 PolarHBondContact O-N 3.38Å; N56-T59 VanDerWaalsContact O-N 3.15Å; N56-T59 PolarHBondContact O-OG1 3.43Å; N56-I60 HydrophobicContact CB-CD1 4.37Å; N56-I60 WeakPolarHBondContact O-CD1 3.39Å; N56-I60 WeakPolarHBondContact O-CG1 3.33Å; N56-I60 PolarHBondContact O-N 3.47Å |
| 57 | I | 56.8 | Low | 70.4 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 19% | 0.19 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.8 | -173.9 | -62.2 | 178.8 | 0 | 0 | 0 | 112 | C51 L54 T59 L72 P134 | C51-I57 HydrophobicContact CB-CD1 4.34Å; C51-I57 WeakPolarHBondContact O-CD1 3.39Å; L54-I57 HydrophobicContact CB-CD1 3.96Å; L54-I57 HydrophobicContact CB-CG1 3.85Å; L54-I57 HydrophobicContact CD1-CD1 4.43Å; L54-I57 PolarHBondContact O-N 3.35Å; I57-T59 VanDerWaalsContact C-N 3.33Å; I57-T59 PolarHBondContact O-N 3.19Å; I57-L72 HydrophobicContact CD1-CD2 4.18Å; I57-L72 HydrophobicContact CG1-CD2 4.16Å; I57-P134 HydrophobicContact CG2-CB 3.62Å; I57-P134 HydrophobicContact CG2-CG 3.61Å |
| 58 | S | 58.1 | Low | 70.6 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 79% | 0.79 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.1 | 178.6 | 59 | 0 | 0 | 0 | 0 | 114.5 | N56 | N56-S58 VanDerWaalsContact C-N 3.25Å; N56-S58 PolarHBondContact O-N 2.83Å |
| 59 | T | 60.6 | Low | 70.8 | Confident | 104 Ų | 104 | 73 Ų | 73 | 64% | 0.638 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -16.7 | -176.7 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | N56 I57 N61 | N56-T59 PolarHBondContact O-N 3.38Å; N56-T59 VanDerWaalsContact O-N 3.15Å; N56-T59 PolarHBondContact O-OG1 3.43Å; I57-T59 VanDerWaalsContact C-N 3.33Å; I57-T59 PolarHBondContact O-N 3.19Å; T59-N61 PolarHBondContact O-N 3.14Å |
| 60 | I | 69.1 | Low | 71.1 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 26% | 0.256 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -78.9 | 120.7 | -178.5 | -63.6 | 162.3 | 0 | 0 | 0 | 109.4 | N56 L62 L66 L72 | N56-I60 HydrophobicContact CB-CD1 4.37Å; N56-I60 WeakPolarHBondContact O-CD1 3.39Å; N56-I60 WeakPolarHBondContact O-CG1 3.33Å; N56-I60 PolarHBondContact O-N 3.47Å; I60-L62 HydrophobicContact CG2-CD2 3.77Å; I60-L62 HydrophobicContact CG2-CG 4.36Å; I60-L62 PolarHBondContact O-N 3.25Å; I60-L62 VanDerWaalsContact O-N 3.1Å; I60-L66 HydrophobicContact CG2-CD2 4.41Å; I60-L72 HydrophobicContact CD1-CD1 3.99Å; I60-L72 HydrophobicContact CG2-CD1 4.46Å |
| 61 | N | 79.4 | Confident | 71.4 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | trans | -78.8 | 95 | 174.7 | -172 | -11.2 | 0 | 0 | 0 | 110.6 | T59 Y63 H64 Y206 | T59-N61 PolarHBondContact O-N 3.14Å; N61-Y63 PolarHBondContact O-N 3.39Å; N61-Y63 WeakPolarHBondContact OD1-CB 3.49Å; N61-Y63 VanDerWaalsContact OD1-CD2 3.25Å; N61-Y63 WeakPolarHBondContact OD1-CD2 3.27Å; N61-Y63 PolarHBondContact OD1-N 3.01Å; N61-Y63 VanDerWaalsContact OD1-N 3.09Å; N61-H64 PolarHBondContact O-N 3.27Å; N61-H64 VanDerWaalsContact O-N 3.13Å; N61-Y206 WeakPolarHBondContact ND2-CE2 3.46Å; N61-Y206 PolarHBondContact ND2-OH 3.3Å; N61-Y206 VanDerWaalsContact ND2-OH 3.16Å | ||
| 62 | L | 81.3 | Confident | 72 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 7.6 | -179.6 | -60.3 | 174 | 0 | 0 | 0 | 114.4 | I60 L66 L72 P134 H137 C141 Y199 | I60-L62 HydrophobicContact CG2-CD2 3.77Å; I60-L62 HydrophobicContact CG2-CG 4.36Å; I60-L62 PolarHBondContact O-N 3.25Å; I60-L62 VanDerWaalsContact O-N 3.1Å; L62-L66 HydrophobicContact CD2-CD2 3.96Å; L62-L72 HydrophobicContact CD1-CD1 4.5Å; L62-L72 HydrophobicContact CD2-CD1 3.67Å; L62-P134 HydrophobicContact CD1-CB 4.24Å; L62-H137 HydrophobicContact CB-CB 4.08Å; L62-H137 HydrophobicContact CD1-CB 3.55Å; L62-H137 HydrophobicContact CG-CB 4.4Å; L62-C141 WeakPolarHBondContact O-CB 3.47Å; L62-Y199 PolarHBondContact O-OH 3.22Å |
| 63 | Y | 83.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -12.8 | 171.8 | -49.9 | -65.4 | 0 | 0 | 0 | 112.5 | N61 Y199 E202 A203 R207 | N61-Y63 PolarHBondContact O-N 3.39Å; N61-Y63 WeakPolarHBondContact OD1-CB 3.49Å; N61-Y63 VanDerWaalsContact OD1-CD2 3.25Å; N61-Y63 WeakPolarHBondContact OD1-CD2 3.27Å; N61-Y63 PolarHBondContact OD1-N 3.01Å; N61-Y63 VanDerWaalsContact OD1-N 3.09Å; Y63-Y199 HydrophobicContact CD1-CD2 4.02Å; Y63-Y199 AromaticContact CD1-CE2 3.58Å; Y63-Y199 HydrophobicContact CD1-CE2 3.58Å; Y63-Y199 AromaticContact CE1-CD2 3.56Å; Y63-Y199 HydrophobicContact CE1-CD2 3.56Å; Y63-Y199 AromaticContact CE1-CE2 3.56Å; Y63-Y199 HydrophobicContact CE1-CE2 3.56Å; Y63-Y199 HydrophobicContact CE1-CG 4.44Å; Y63-E202 HydrophobicContact CD1-CB 4.29Å; Y63-E202 HydrophobicContact CE1-CB 3.64Å; Y63-E202 HydrophobicContact CE2-CB 4.44Å; Y63-A203 HydrophobicContact CD1-CB 4.03Å; Y63-R207 PolarHBondContact O-NH1 3.46Å |
| 64 | H | 84 | Confident | 73.6 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -92.3 | 173.7 | 169.9 | -160.2 | -80.3 | 0 | 0 | 0 | 110.6 | N61 C141 Y206 | N61-H64 PolarHBondContact O-N 3.27Å; N61-H64 VanDerWaalsContact O-N 3.13Å; H64-C141 PolarHBondContact O-SG 2.94Å; H64-Y206 HydrophobicContact CB-CE1 3.94Å; H64-Y206 AromaticContact CD2-CE1 3.92Å; H64-Y206 PolarHBondContact CD2-OH 3.06Å |
| 65 | T | 83 | Confident | 74.6 | Confident | 32 Ų | 32 | 62 Ų | 62 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61 | 141.2 | 173.8 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | E145 I161 | T65-E145 WeakPolarHBondContact CA-OE1 3.26Å; T65-E145 HydrophobicContact CG2-CG 4.2Å; T65-I161 HydrophobicContact CG2-CG2 3.41Å; T65-I161 VanDerWaalsContact CG2-CG2 3.41Å |
| 66 | L | 82.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 135.5 | 175.5 | -73.1 | 165 | 0 | 0 | 0 | 111.6 | I60 L62 N70 L73 C141 L142 E145 K169 | I60-L66 HydrophobicContact CG2-CD2 4.41Å; L62-L66 HydrophobicContact CD2-CD2 3.96Å; L66-N70 WeakPolarHBondContact CD2-ND2 3.47Å; L66-L73 HydrophobicContact CB-CD1 4.38Å; L66-L73 HydrophobicContact CD1-CD2 4.07Å; L66-C141 HydrophobicContact CD1-CB 3.93Å; L66-L142 HydrophobicContact CD1-CD2 4.43Å; L66-L142 HydrophobicContact CD1-CG 4.31Å; L66-E145 PolarHBondContact N-OE1 3.02Å; L66-K169 WeakPolarHBondContact O-CE 3.43Å; L66-K169 PolarHBondContact O-NZ 2.78Å |
| 67 | D | 81 | Confident | 77.7 | Confident | 121 Ų | 121 | 52.8 Ų | 52.8 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 150.9 | 171 | -64.9 | -33.8 | 0 | 0 | 0 | 111.7 | D69 N70 L73 | D67-D69 PolarHBondContact O-N 3.06Å; D67-N70 WeakPolarHBondContact O-CB 3.41Å; D67-N70 PolarHBondContact O-N 3.07Å; D67-L73 VanDerWaalsContact O-CD1 3.22Å; D67-L73 WeakPolarHBondContact O-CD1 3.23Å |
| 68 | D | 76.6 | Confident | 79 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.7 | -179 | -82.2 | -0 | 0 | 0 | 0 | 113.9 | N70 T166 R168 K169 | D68-N70 VanDerWaalsContact C-N 3.28Å; D68-T166 PolarHBondContact OD1-OG1 3.31Å; D68-T166 VanDerWaalsContact OD2-CB 3.29Å; D68-T166 WeakPolarHBondContact OD2-CB 3.32Å; D68-T166 WeakPolarHBondContact OD2-CG2 3.41Å; D68-T166 PolarHBondContact OD2-OG1 3.27Å; D68-R168 PolarHBondContact O-NH1 3.04Å; D68-K169 WeakPolarHBondContact OD1-CE 3.32Å; D68-K169 WeakPolarHBondContact OD1-CG 3.38Å |
| 69 | D | 75.8 | Confident | 80.2 | Confident | 147 Ų | 147 | 49.3 Ų | 49.3 | 79% | 0.786 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4 | 179.5 | -65.9 | -35.4 | 0 | 0 | 0 | 112.9 | D67 D71 | D67-D69 PolarHBondContact O-N 3.06Å; D69-D71 PolarHBondContact O-N 3.39Å |
| 70 | N | 80.4 | Confident | 81.2 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | trans | -67.2 | 124.8 | -179.3 | -165.1 | -45.4 | 0 | 0 | 0 | 111.2 | L66 D67 D68 L72 L73 R74 | L66-N70 WeakPolarHBondContact CD2-ND2 3.47Å; D67-N70 WeakPolarHBondContact O-CB 3.41Å; D67-N70 PolarHBondContact O-N 3.07Å; D68-N70 VanDerWaalsContact C-N 3.28Å; N70-L72 PolarHBondContact O-N 2.56Å; N70-L72 VanDerWaalsContact O-N 3.11Å; N70-L72 WeakPolarHBondContact OD1-CB 3.5Å; N70-L72 PolarHBondContact OD1-N 2.95Å; N70-L73 HydrophobicContact CB-CD1 4.46Å; N70-L73 HydrophobicContact CB-CG 4.35Å; N70-L73 WeakPolarHBondContact O-CB 3.35Å; N70-L73 PolarHBondContact O-N 3.28Å; N70-R74 PolarHBondContact O-N 3.1Å | ||
| 71 | D | 78.8 | Confident | 81.9 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56 | -29.8 | 179.1 | -76 | -51.8 | 0 | 0 | 0 | 112.9 | L54 D69 L73 R74 L75 | L54-D71 HydrophobicContact CD1-CB 3.73Å; L54-D71 HydrophobicContact CD2-CB 4.08Å; D69-D71 PolarHBondContact O-N 3.39Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.47Å; D71-R74 WeakPolarHBondContact O-CB 3.21Å; D71-R74 PolarHBondContact O-N 3.31Å; D71-R74 IonicContact OD1-CZ 3.72Å; D71-R74 IonicContact OD1-NH2 3.28Å; D71-R74 PolarHBondContact OD1-NH2 3.33Å; D71-L75 WeakPolarHBondContact O-CG 3.47Å; D71-L75 PolarHBondContact O-N 3.43Å |
| 72 | L | 81.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -31.2 | 176.3 | -69.5 | 171.1 | 0 | 0 | 0 | 112.8 | I57 I60 L62 N70 L76 P134 L135 | I57-L72 HydrophobicContact CD1-CD2 4.18Å; I57-L72 HydrophobicContact CG1-CD2 4.16Å; I60-L72 HydrophobicContact CD1-CD1 3.99Å; I60-L72 HydrophobicContact CG2-CD1 4.46Å; L62-L72 HydrophobicContact CD1-CD1 4.5Å; L62-L72 HydrophobicContact CD2-CD1 3.67Å; N70-L72 PolarHBondContact O-N 2.56Å; N70-L72 VanDerWaalsContact O-N 3.11Å; N70-L72 WeakPolarHBondContact OD1-CB 3.5Å; N70-L72 PolarHBondContact OD1-N 2.95Å; L72-L76 WeakPolarHBondContact O-CB 3.24Å; L72-L76 PolarHBondContact O-N 3.38Å; L72-P134 HydrophobicContact CD2-CB 4.26Å; L72-L135 HydrophobicContact CD2-CD2 4.06Å |
| 73 | L | 82.5 | Confident | 81.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.7 | -37.6 | 174.4 | -69.1 | -179.5 | 0 | 0 | 0 | 111.4 | L66 D67 N70 D71 C77 L142 K169 I172 | L66-L73 HydrophobicContact CB-CD1 4.38Å; L66-L73 HydrophobicContact CD1-CD2 4.07Å; D67-L73 VanDerWaalsContact O-CD1 3.22Å; D67-L73 WeakPolarHBondContact O-CD1 3.23Å; N70-L73 HydrophobicContact CB-CD1 4.46Å; N70-L73 HydrophobicContact CB-CG 4.35Å; N70-L73 WeakPolarHBondContact O-CB 3.35Å; N70-L73 PolarHBondContact O-N 3.28Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.47Å; L73-C77 WeakPolarHBondContact O-CB 3.49Å; L73-C77 PolarHBondContact O-N 2.84Å; L73-L142 HydrophobicContact CD2-CD1 3.5Å; L73-L142 VanDerWaalsContact CD2-CD1 3.5Å; L73-L142 HydrophobicContact CD2-CD2 4.07Å; L73-L142 HydrophobicContact CD2-CG 3.94Å; L73-K169 HydrophobicContact CD1-CG 4.43Å; L73-I172 HydrophobicContact CB-CD1 4.45Å |
| 74 | R | 83 | Confident | 81.8 | Confident | 125 Ų | 125 | 44.6 Ų | 44.6 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 173.8 | -176.4 | -178.4 | 65.2 | 172.5 | -4.6 | 110.6 | N70 D71 C77 L78 | N70-R74 PolarHBondContact O-N 3.1Å; D71-R74 WeakPolarHBondContact O-CB 3.21Å; D71-R74 PolarHBondContact O-N 3.31Å; D71-R74 IonicContact OD1-CZ 3.72Å; D71-R74 IonicContact OD1-NH2 3.28Å; D71-R74 PolarHBondContact OD1-NH2 3.33Å; R74-C77 WeakPolarHBondContact O-CB 3.23Å; R74-C77 PolarHBondContact O-N 3.01Å; R74-L78 WeakPolarHBondContact O-CG 3.15Å; R74-L78 PolarHBondContact O-N 2.95Å |
| 75 | L | 83 | Confident | 81.7 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 178 | -71.2 | 172.6 | 0 | 0 | 0 | 112.1 | E50 L54 D71 C77 L78 F79 L135 | E50-L75 HydrophobicContact CB-CD2 3.97Å; L54-L75 HydrophobicContact CD1-CD1 3.39Å; L54-L75 HydrophobicContact CD1-CG 4.48Å; D71-L75 WeakPolarHBondContact O-CG 3.47Å; D71-L75 PolarHBondContact O-N 3.43Å; L75-C77 VanDerWaalsContact C-N 3.32Å; L75-C77 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 2.83Å; L75-F79 VanDerWaalsContact O-CB 3.28Å; L75-F79 WeakPolarHBondContact O-CB 3.16Å; L75-F79 PolarHBondContact O-N 3.28Å; L75-L135 HydrophobicContact CB-CD2 3.6Å |
| 76 | L | 84.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 173.6 | 178.6 | 62.9 | 0 | 0 | 0 | 111.1 | L72 F79 I80 L142 I172 | L72-L76 WeakPolarHBondContact O-CB 3.24Å; L72-L76 PolarHBondContact O-N 3.38Å; L76-F79 HydrophobicContact CD1-CD1 4.49Å; L76-F79 PolarHBondContact O-N 3.2Å; L76-I80 HydrophobicContact CD1-CD1 4.06Å; L76-I80 HydrophobicContact CD1-CG1 4.3Å; L76-I80 HydrophobicContact CG-CD1 3.84Å; L76-I80 WeakPolarHBondContact O-CD1 3.25Å; L76-I80 VanDerWaalsContact O-CG1 3.26Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.8Å; L76-L142 HydrophobicContact CD2-CD1 4.23Å; L76-I172 HydrophobicContact CD2-CG2 3.96Å; L76-I172 HydrophobicContact CG-CG2 4.25Å |
| 77 | C | 85.9 | Confident | 81.3 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | L73 R74 L75 F79 K81 I172 | L73-C77 WeakPolarHBondContact O-CB 3.49Å; L73-C77 PolarHBondContact O-N 2.84Å; R74-C77 WeakPolarHBondContact O-CB 3.23Å; R74-C77 PolarHBondContact O-N 3.01Å; L75-C77 VanDerWaalsContact C-N 3.32Å; L75-C77 PolarHBondContact O-N 2.95Å; C77-F79 VanDerWaalsContact C-N 3.33Å; C77-K81 WeakPolarHBondContact O-CG 3.34Å; C77-K81 PolarHBondContact O-N 3.47Å; C77-K81 VanDerWaalsContact O-N 3.08Å; C77-I172 HydrophobicContact CB-CD1 4.36Å; C77-I172 HydrophobicContact CB-CG1 4.31Å |
| 78 | L | 83.9 | Confident | 81.3 | Confident | 75 Ų | 75 | 44.6 Ų | 44.6 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 175.4 | -71.2 | 173.5 | 0 | 0 | 0 | 111.3 | L47 R74 L75 K81 L82 | L47-L78 HydrophobicContact CD1-CB 4.27Å; R74-L78 WeakPolarHBondContact O-CG 3.15Å; R74-L78 PolarHBondContact O-N 2.95Å; L75-L78 PolarHBondContact O-N 2.83Å; L78-K81 PolarHBondContact O-N 2.8Å; L78-L82 WeakPolarHBondContact O-CB 3.44Å; L78-L82 PolarHBondContact O-N 2.86Å |
| 79 | F | 83.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.4 | -179.4 | -120.6 | 0 | 0 | 0 | 111.9 | L44 L47 L75 L76 C77 K81 L82 I83 L132 L135 W136 W188 | L44-F79 HydrophobicContact CD2-CD2 4.18Å; L44-F79 HydrophobicContact CD2-CE2 3.79Å; L47-F79 HydrophobicContact CD1-CB 3.85Å; L47-F79 HydrophobicContact CD1-CD2 4.27Å; L47-F79 HydrophobicContact CD2-CB 4.39Å; L47-F79 HydrophobicContact CD2-CD2 4.33Å; L75-F79 VanDerWaalsContact O-CB 3.28Å; L75-F79 WeakPolarHBondContact O-CB 3.16Å; L75-F79 PolarHBondContact O-N 3.28Å; L76-F79 HydrophobicContact CD1-CD1 4.49Å; L76-F79 PolarHBondContact O-N 3.2Å; C77-F79 VanDerWaalsContact C-N 3.33Å; F79-K81 PolarHBondContact O-N 2.86Å; F79-L82 WeakPolarHBondContact O-CB 3.32Å; F79-L82 PolarHBondContact O-N 3.19Å; F79-I83 PolarHBondContact O-N 3.42Å; F79-L132 HydrophobicContact CD2-CD2 4.22Å; F79-L132 HydrophobicContact CE2-CD1 4.2Å; F79-L132 HydrophobicContact CE2-CD2 3.75Å; F79-L132 HydrophobicContact CZ-CD1 4.1Å; F79-L132 HydrophobicContact CZ-CD2 3.99Å; F79-L135 HydrophobicContact CB-CD1 4.41Å; F79-L135 HydrophobicContact CG-CD1 4.37Å; F79-W136 HydrophobicContact CD1-CH2 4.49Å; F79-W136 HydrophobicContact CE1-CE3 4.33Å; F79-W136 AromaticContact CE1-CH2 3.26Å; F79-W136 HydrophobicContact CE1-CH2 3.26Å; F79-W136 AromaticContact CE1-CZ2 3.57Å; F79-W136 HydrophobicContact CE1-CZ2 3.57Å; F79-W136 AromaticContact CE1-CZ3 3.68Å; F79-W136 HydrophobicContact CE1-CZ3 3.68Å; F79-W136 AromaticContact CZ-CH2 3.59Å; F79-W136 HydrophobicContact CZ-CH2 3.59Å; F79-W136 AromaticContact CZ-CZ2 3.55Å; F79-W136 HydrophobicContact CZ-CZ2 3.55Å; F79-W136 HydrophobicContact CZ-CZ3 4.43Å; F79-W188 HydrophobicContact CD1-CE3 4.36Å; F79-W188 AromaticContact CD1-CH2 3.12Å; F79-W188 HydrophobicContact CD1-CH2 3.12Å; F79-W188 HydrophobicContact CD1-CZ2 4.05Å; F79-W188 AromaticContact CD1-CZ3 3.3Å; F79-W188 HydrophobicContact CD1-CZ3 3.3Å; F79-W188 AromaticContact CD2-CH2 3.65Å; F79-W188 HydrophobicContact CD2-CH2 3.65Å; F79-W188 HydrophobicContact CD2-CZ2 4.05Å; F79-W188 HydrophobicContact CE1-CD2 4.37Å; F79-W188 AromaticContact CE1-CE3 3.8Å; F79-W188 HydrophobicContact CE1-CE3 3.8Å; F79-W188 AromaticContact CE1-CH2 2.93Å; F79-W188 HydrophobicContact CE1-CH2 2.93Å; F79-W188 AromaticContact CE1-CZ2 3.47Å; F79-W188 HydrophobicContact CE1-CZ2 3.47Å; F79-W188 VanDerWaalsContact CE1-CZ2 3.47Å; F79-W188 AromaticContact CE1-CZ3 3.1Å; F79-W188 HydrophobicContact CE1-CZ3 3.1Å; F79-W188 AromaticContact CE2-CH2 3.46Å; F79-W188 HydrophobicContact CE2-CH2 3.46Å; F79-W188 VanDerWaalsContact CE2-CH2 3.46Å; F79-W188 AromaticContact CE2-CZ2 3.44Å; F79-W188 HydrophobicContact CE2-CZ2 3.44Å; F79-W188 VanDerWaalsContact CE2-CZ2 3.44Å; F79-W188 HydrophobicContact CE2-CZ3 4.45Å; F79-W188 AromaticContact CG-CH2 3.48Å; F79-W188 HydrophobicContact CG-CH2 3.48Å; F79-W188 VanDerWaalsContact CG-CH2 3.48Å; F79-W188 HydrophobicContact CG-CZ2 4.32Å; F79-W188 HydrophobicContact CG-CZ3 4.1Å; F79-W188 HydrophobicContact CZ-CD2 4.45Å; F79-W188 AromaticContact CZ-CE2 3.94Å; F79-W188 HydrophobicContact CZ-CE3 4.31Å; F79-W188 AromaticContact CZ-CH2 3.1Å; F79-W188 HydrophobicContact CZ-CH2 3.1Å; F79-W188 AromaticContact CZ-CZ2 3.1Å; F79-W188 HydrophobicContact CZ-CZ2 3.1Å; F79-W188 AromaticContact CZ-CZ3 3.74Å; F79-W188 HydrophobicContact CZ-CZ3 3.74Å; F79-W188 WeakPolarHBondContact O-CH2 3.16Å |
| 80 | I | 82.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 175 | -70 | 161.7 | 0 | 0 | 0 | 110.7 | L76 L82 I83 D84 I172 A176 L179 W188 | L76-I80 HydrophobicContact CD1-CD1 4.06Å; L76-I80 HydrophobicContact CD1-CG1 4.3Å; L76-I80 HydrophobicContact CG-CD1 3.84Å; L76-I80 WeakPolarHBondContact O-CD1 3.25Å; L76-I80 VanDerWaalsContact O-CG1 3.26Å; L76-I80 WeakPolarHBondContact O-CG1 3.27Å; L76-I80 PolarHBondContact O-N 2.8Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.02Å; I80-I83 PolarHBondContact O-N 2.75Å; I80-D84 PolarHBondContact O-N 3.18Å; I80-I172 HydrophobicContact CD1-CG2 3.8Å; I80-A176 HydrophobicContact CD1-CB 3.81Å; I80-A176 HydrophobicContact CG1-CB 4.42Å; I80-L179 HydrophobicContact CB-CD1 4.48Å; I80-L179 HydrophobicContact CG2-CD1 3.89Å; I80-W188 HydrophobicContact CG1-CZ3 4.37Å |
| 81 | K | 84.2 | Confident | 81.6 | Confident | 119 Ų | 119 | 40.5 Ų | 40.5 | 52% | 0.517 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 179.2 | -74.9 | 175.5 | 179.7 | 178.3 | 0 | 113.3 | C77 L78 F79 I83 N85 | C77-K81 WeakPolarHBondContact O-CG 3.34Å; C77-K81 PolarHBondContact O-N 3.47Å; C77-K81 VanDerWaalsContact O-N 3.08Å; L78-K81 PolarHBondContact O-N 2.8Å; F79-K81 PolarHBondContact O-N 2.86Å; K81-I83 PolarHBondContact O-N 3.26Å; K81-N85 WeakPolarHBondContact O-CB 3.46Å; K81-N85 PolarHBondContact O-N 3.12Å; K81-N85 PolarHBondContact O-ND2 2.96Å |
| 82 | L | 82.1 | Confident | 81.8 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.094 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -32.4 | 177.3 | -175.1 | 156.1 | 0 | 0 | 0 | 110.8 | L40 Q43 L44 L47 L78 F79 I80 L86 | L40-L82 HydrophobicContact CD1-CD2 3.57Å; Q43-L82 HydrophobicContact CB-CD1 3.63Å; Q43-L82 HydrophobicContact CB-CG 4.33Å; L44-L82 HydrophobicContact CD2-CD2 4.33Å; L44-L82 HydrophobicContact CG-CD2 4.42Å; L47-L82 HydrophobicContact CD1-CD1 4.35Å; L78-L82 WeakPolarHBondContact O-CB 3.44Å; L78-L82 PolarHBondContact O-N 2.86Å; F79-L82 WeakPolarHBondContact O-CB 3.32Å; F79-L82 PolarHBondContact O-N 3.19Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.02Å; L82-L86 PolarHBondContact O-N 2.82Å; L82-L86 VanDerWaalsContact O-N 3.09Å |
| 83 | I | 78.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -97.8 | -28.7 | -172.7 | -68.6 | -106.2 | 0 | 0 | 0 | 113.3 | L40 F79 I80 K81 N85 L86 N87 L179 I186 W188 | L40-I83 HydrophobicContact CD1-CD1 4.15Å; F79-I83 PolarHBondContact O-N 3.42Å; I80-I83 PolarHBondContact O-N 2.75Å; K81-I83 PolarHBondContact O-N 3.26Å; I83-N85 VanDerWaalsContact C-N 3.28Å; I83-L86 HydrophobicContact CD1-CD2 4.29Å; I83-L86 PolarHBondContact O-N 3.21Å; I83-N87 WeakPolarHBondContact O-CB 3.18Å; I83-N87 PolarHBondContact O-N 3.35Å; I83-N87 PolarHBondContact O-ND2 3.13Å; I83-L179 HydrophobicContact CG2-CD1 4.24Å; I83-L179 HydrophobicContact CG2-CD2 4.05Å; I83-I186 HydrophobicContact CD1-CG2 4.47Å; I83-I186 HydrophobicContact CG2-CG2 3.99Å; I83-W188 HydrophobicContact CB-CH2 3.58Å; I83-W188 HydrophobicContact CB-CZ2 3.34Å; I83-W188 HydrophobicContact CB-CZ3 4.41Å; I83-W188 HydrophobicContact CD1-CH2 4.19Å; I83-W188 HydrophobicContact CD1-CZ2 3.17Å; I83-W188 HydrophobicContact CG1-CH2 3.45Å; I83-W188 VanDerWaalsContact CG1-CH2 3.45Å; I83-W188 HydrophobicContact CG1-CZ2 2.92Å; I83-W188 HydrophobicContact CG2-CD2 4.12Å; I83-W188 VanDerWaalsContact CG2-CE2 3.45Å; I83-W188 HydrophobicContact CG2-CH2 4.1Å; I83-W188 HydrophobicContact CG2-CZ2 3.61Å |
| 84 | D | 80.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.2 | -49.3 | 160.1 | -76.5 | -25.7 | 0 | 0 | 0 | 109.9 | I80 L86 N87 D88 L179 | I80-D84 PolarHBondContact O-N 3.18Å; D84-L86 PolarHBondContact O-N 3.26Å; D84-N87 WeakPolarHBondContact O-CB 3.48Å; D84-N87 PolarHBondContact O-N 3.03Å; D84-N87 VanDerWaalsContact O-N 3.15Å; D84-D88 PolarHBondContact O-N 2.97Å; D84-L179 WeakPolarHBondContact OD1-CD2 3.43Å; D84-L179 VanDerWaalsContact OD1-CG 3.3Å; D84-L179 WeakPolarHBondContact OD1-CG 3.13Å |
| 85 | N | 82 | Confident | 81.2 | Confident | 93 Ų | 93 | 38.3 Ų | 38.3 | 50% | 0.497 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 177.3 | -70.1 | -17.1 | 0 | 0 | 0 | 112.3 | K81 I83 N87 D88 E89 | K81-N85 WeakPolarHBondContact O-CB 3.46Å; K81-N85 PolarHBondContact O-N 3.12Å; K81-N85 PolarHBondContact O-ND2 2.96Å; I83-N85 VanDerWaalsContact C-N 3.28Å; N85-N87 VanDerWaalsContact C-N 3.32Å; N85-N87 PolarHBondContact O-N 2.98Å; N85-D88 PolarHBondContact O-N 2.85Å; N85-E89 WeakPolarHBondContact O-CG 3.28Å; N85-E89 PolarHBondContact O-N 3.26Å |
| 86 | L | 78 | Confident | 81.1 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.9 | -170.4 | 70.4 | 0 | 0 | 0 | 111.8 | F34 L35 L40 L82 I83 D84 D88 E89 L90 I186 | F34-L86 HydrophobicContact CE1-CD1 4.12Å; L35-L86 HydrophobicContact CD2-CD2 4Å; L40-L86 HydrophobicContact CB-CD1 4.23Å; L40-L86 HydrophobicContact CD1-CB 4.15Å; L40-L86 HydrophobicContact CD1-CD1 3.83Å; L40-L86 HydrophobicContact CD1-CD2 3.27Å; L40-L86 HydrophobicContact CD1-CG 3.91Å; L40-L86 HydrophobicContact CD2-CD2 3.84Å; L40-L86 HydrophobicContact CG-CD2 4.05Å; L82-L86 PolarHBondContact O-N 2.82Å; L82-L86 VanDerWaalsContact O-N 3.09Å; I83-L86 HydrophobicContact CD1-CD2 4.29Å; I83-L86 PolarHBondContact O-N 3.21Å; D84-L86 PolarHBondContact O-N 3.26Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.43Å; L86-E89 PolarHBondContact O-N 3.24Å; L86-L90 WeakPolarHBondContact O-CB 2.89Å; L86-L90 PolarHBondContact O-N 3.24Å; L86-I186 HydrophobicContact CB-CD1 4.17Å; L86-I186 HydrophobicContact CD2-CD1 3.52Å; L86-I186 HydrophobicContact CD2-CG1 4.2Å; L86-I186 HydrophobicContact CG-CD1 3.65Å |
| 87 | N | 79.8 | Confident | 80.6 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.8 | -94.2 | -43.1 | 0 | 0 | 0 | 111.4 | I83 D84 N85 S91 L179 L185 I186 | I83-N87 WeakPolarHBondContact O-CB 3.18Å; I83-N87 PolarHBondContact O-N 3.35Å; I83-N87 PolarHBondContact O-ND2 3.13Å; D84-N87 WeakPolarHBondContact O-CB 3.48Å; D84-N87 PolarHBondContact O-N 3.03Å; D84-N87 VanDerWaalsContact O-N 3.15Å; N85-N87 VanDerWaalsContact C-N 3.32Å; N85-N87 PolarHBondContact O-N 2.98Å; N87-S91 WeakPolarHBondContact O-CB 2.89Å; N87-S91 PolarHBondContact O-N 3.23Å; N87-S91 PolarHBondContact O-OG 3.43Å; N87-L179 VanDerWaalsContact ND2-CD2 3.26Å; N87-L179 WeakPolarHBondContact ND2-CD2 3.48Å; N87-L185 PolarHBondContact OD1-N 2.99Å; N87-I186 HydrophobicContact CB-CD1 4.45Å; N87-I186 PolarHBondContact ND2-O 3.17Å; N87-I186 WeakPolarHBondContact OD1-CA 3.35Å; N87-I186 VanDerWaalsContact OD1-CB 3.22Å; N87-I186 WeakPolarHBondContact OD1-CB 3.35Å; N87-I186 VanDerWaalsContact OD1-CD1 3.3Å; N87-I186 WeakPolarHBondContact OD1-CD1 3.39Å; N87-I186 PolarHBondContact OD1-N 3.3Å |
| 88 | D | 80.9 | Confident | 79.7 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 58% | 0.583 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.6 | -45.6 | 176.8 | -72.3 | -19.6 | 0 | 0 | 0 | 111.6 | D84 N85 L86 L90 S91 A92 | D84-D88 PolarHBondContact O-N 2.97Å; N85-D88 PolarHBondContact O-N 2.85Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.43Å; D88-L90 PolarHBondContact O-N 3.21Å; D88-S91 PolarHBondContact O-N 2.6Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.44Å; D88-A92 PolarHBondContact O-N 2.75Å |
| 89 | E | 81.8 | Confident | 79 | Confident | 95 Ų | 95 | 46 Ų | 46 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.7 | -69.4 | -178.4 | 173.6 | 0 | 0 | 111.7 | F34 N85 L86 A92 Y93 | F34-E89 HydrophobicContact CZ-CB 3.75Å; N85-E89 WeakPolarHBondContact O-CG 3.28Å; N85-E89 PolarHBondContact O-N 3.26Å; L86-E89 PolarHBondContact O-N 3.24Å; E89-A92 PolarHBondContact O-N 3.28Å; E89-Y93 WeakPolarHBondContact O-CB 3.38Å; E89-Y93 PolarHBondContact O-N 3.03Å |
| 90 | L | 78.7 | Confident | 78 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 178.3 | -171.5 | 147.2 | 0 | 0 | 0 | 111.1 | I31 F34 L35 L86 D88 Y93 L94 L185 I186 | I31-L90 HydrophobicContact CG2-CD1 4.44Å; F34-L90 HydrophobicContact CD1-CB 4.03Å; F34-L90 HydrophobicContact CD1-CD1 3.77Å; F34-L90 HydrophobicContact CD1-CG 3.94Å; F34-L90 HydrophobicContact CE1-CB 3.61Å; F34-L90 HydrophobicContact CE1-CD1 4.09Å; F34-L90 HydrophobicContact CE1-CG 4.06Å; F34-L90 HydrophobicContact CZ-CB 4.23Å; L35-L90 HydrophobicContact CD2-CD1 4.03Å; L35-L90 HydrophobicContact CG-CD1 4.34Å; L86-L90 WeakPolarHBondContact O-CB 2.89Å; L86-L90 PolarHBondContact O-N 3.24Å; D88-L90 PolarHBondContact O-N 3.21Å; L90-Y93 PolarHBondContact O-N 2.95Å; L90-L94 HydrophobicContact CD2-CD1 3.63Å; L90-L94 HydrophobicContact CD2-CG 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 2.89Å; L90-L185 HydrophobicContact CD2-CB 3.6Å; L90-L185 HydrophobicContact CD2-CD1 3.37Å; L90-L185 HydrophobicContact CD2-CG 4.05Å; L90-I186 HydrophobicContact CB-CD1 4.2Å; L90-I186 HydrophobicContact CD1-CD1 3.88Å; L90-I186 HydrophobicContact CD1-CG1 4.37Å |
| 91 | S | 78.3 | Confident | 77.2 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 176 | -60 | 0 | 0 | 0 | 0 | 111.5 | N87 D88 G95 | N87-S91 WeakPolarHBondContact O-CB 2.89Å; N87-S91 PolarHBondContact O-N 3.23Å; N87-S91 PolarHBondContact O-OG 3.43Å; D88-S91 PolarHBondContact O-N 2.6Å; S91-G95 WeakPolarHBondContact O-CA 3.42Å; S91-G95 PolarHBondContact O-N 2.67Å |
| 92 | A | 82.2 | Confident | 76.4 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D88 E89 G95 S96 | D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.44Å; D88-A92 PolarHBondContact O-N 2.75Å; E89-A92 PolarHBondContact O-N 3.28Å; A92-G95 PolarHBondContact O-N 2.86Å; A92-S96 PolarHBondContact O-N 3.4Å |
| 93 | Y | 81.3 | Confident | 75.6 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.1 | -51.4 | 176.2 | 176.8 | -106.1 | 0 | 0 | 0 | 111.4 | Q30 F34 E89 L90 G95 S96 I97 | Q30-Y93 PolarHBondContact OE1-OH 2.92Å; Q30-Y93 VanDerWaalsContact OE1-OH 3.1Å; F34-Y93 HydrophobicContact CB-CD1 3.81Å; F34-Y93 HydrophobicContact CB-CE1 3.76Å; F34-Y93 AromaticContact CD2-CD1 3.56Å; F34-Y93 HydrophobicContact CD2-CD1 3.56Å; F34-Y93 AromaticContact CD2-CD2 3.93Å; F34-Y93 HydrophobicContact CD2-CD2 3.93Å; F34-Y93 HydrophobicContact CD2-CE1 4.13Å; F34-Y93 HydrophobicContact CD2-CE2 4.45Å; F34-Y93 AromaticContact CD2-CG 3.43Å; F34-Y93 HydrophobicContact CD2-CG 3.43Å; F34-Y93 VanDerWaalsContact CD2-CG 3.43Å; F34-Y93 HydrophobicContact CE2-CD1 4.45Å; F34-Y93 HydrophobicContact CE2-CD2 4.45Å; F34-Y93 AromaticContact CE2-CG 3.97Å; F34-Y93 HydrophobicContact CE2-CG 3.97Å; F34-Y93 AromaticContact CG-CD1 3.85Å; F34-Y93 HydrophobicContact CG-CD1 3.85Å; F34-Y93 HydrophobicContact CG-CE1 4.28Å; F34-Y93 HydrophobicContact CG-CG 4.19Å; E89-Y93 WeakPolarHBondContact O-CB 3.38Å; E89-Y93 PolarHBondContact O-N 3.03Å; L90-Y93 PolarHBondContact O-N 2.95Å; Y93-G95 VanDerWaalsContact C-N 3.31Å; Y93-G95 PolarHBondContact O-N 3.39Å; Y93-S96 WeakPolarHBondContact O-CB 3.39Å; Y93-S96 PolarHBondContact O-N 3.31Å; Y93-S96 VanDerWaalsContact O-N 3.16Å; Y93-S96 PolarHBondContact O-OG 2.81Å; Y93-I97 HydrophobicContact CD1-CD1 4.06Å; Y93-I97 HydrophobicContact CE1-CD1 3.51Å; Y93-I97 HydrophobicContact CE2-CD1 4.1Å; Y93-I97 PolarHBondContact O-N 3.47Å |
| 94 | L | 76.1 | Confident | 75 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | 177 | -69.1 | -174 | 0 | 0 | 0 | 111.8 | F27 I31 L90 S96 I97 L98 L102 L185 | F27-L94 HydrophobicContact CE2-CD1 4.2Å; F27-L94 HydrophobicContact CE2-CD2 4Å; F27-L94 HydrophobicContact CZ-CD1 4.26Å; I31-L94 HydrophobicContact CD1-CD1 4.37Å; I31-L94 HydrophobicContact CG1-CD1 4.25Å; I31-L94 HydrophobicContact CG1-CD2 4.12Å; L90-L94 HydrophobicContact CD2-CD1 3.63Å; L90-L94 HydrophobicContact CD2-CG 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.48Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 2.89Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.3Å; L94-I97 PolarHBondContact O-N 3.22Å; L94-I97 VanDerWaalsContact O-N 3.08Å; L94-L98 HydrophobicContact CB-CD1 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.4Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.82Å; L94-L102 HydrophobicContact CB-CD1 3.86Å; L94-L102 HydrophobicContact CD1-CD1 4.29Å; L94-L185 HydrophobicContact CD1-CD1 3.9Å |
| 95 | G | 77.9 | Confident | 74.3 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S91 A92 Y93 I97 L98 D99 | S91-G95 WeakPolarHBondContact O-CA 3.42Å; S91-G95 PolarHBondContact O-N 2.67Å; A92-G95 PolarHBondContact O-N 2.86Å; Y93-G95 VanDerWaalsContact C-N 3.31Å; Y93-G95 PolarHBondContact O-N 3.39Å; G95-I97 PolarHBondContact O-N 3.17Å; G95-L98 PolarHBondContact O-N 2.96Å; G95-D99 PolarHBondContact O-N 2.87Å |
| 96 | S | 80 | Confident | 73.5 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.6 | -22.2 | 176.6 | 77.8 | 0 | 0 | 0 | 0 | 114.3 | A92 Y93 L94 | A92-S96 PolarHBondContact O-N 3.4Å; Y93-S96 WeakPolarHBondContact O-CB 3.39Å; Y93-S96 PolarHBondContact O-N 3.31Å; Y93-S96 VanDerWaalsContact O-N 3.16Å; Y93-S96 PolarHBondContact O-OG 2.81Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.3Å |
| 97 | I | 73.4 | Confident | 73 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -92 | -35.6 | 178.8 | -61.6 | 171.8 | 0 | 0 | 0 | 110.7 | V12 F13 Y93 L94 G95 | V12-I97 HydrophobicContact CG1-CG2 3.83Å; V12-I97 VanDerWaalsContact CG1-O 3.23Å; V12-I97 WeakPolarHBondContact CG1-O 3.29Å; F13-I97 HydrophobicContact CE1-CG2 4.23Å; F13-I97 HydrophobicContact CZ-CG2 4.27Å; Y93-I97 HydrophobicContact CD1-CD1 4.06Å; Y93-I97 HydrophobicContact CE1-CD1 3.51Å; Y93-I97 HydrophobicContact CE2-CD1 4.1Å; Y93-I97 PolarHBondContact O-N 3.47Å; L94-I97 PolarHBondContact O-N 3.22Å; L94-I97 VanDerWaalsContact O-N 3.08Å; G95-I97 PolarHBondContact O-N 3.17Å |
| 98 | L | 68.5 | Low | 72.5 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -115.3 | -3.4 | -161.3 | -68.9 | 161.3 | 0 | 0 | 0 | 114.4 | L9 V12 F27 L94 G95 S100 S101 I105 | L9-L98 HydrophobicContact CD2-CD2 3.28Å; V12-L98 HydrophobicContact CG1-CD2 4.35Å; V12-L98 HydrophobicContact CG2-CD2 4.37Å; F27-L98 HydrophobicContact CD2-CD1 3.93Å; F27-L98 HydrophobicContact CE2-CD1 3.45Å; F27-L98 VanDerWaalsContact CE2-CD1 3.45Å; F27-L98 HydrophobicContact CZ-CD1 4.46Å; L94-L98 HydrophobicContact CB-CD1 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.4Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.82Å; G95-L98 PolarHBondContact O-N 2.96Å; L98-S100 PolarHBondContact O-N 3.48Å; L98-S101 WeakPolarHBondContact CB-OG 3.47Å; L98-S101 WeakPolarHBondContact O-CB 3.27Å; L98-S101 PolarHBondContact O-N 3.26Å; L98-S101 PolarHBondContact O-OG 3.03Å; L98-I105 HydrophobicContact CD1-CD1 3.77Å; L98-I105 HydrophobicContact CD2-CD1 4.29Å |
| 99 | D | 68.4 | Low | 71.9 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42 | -102.5 | -178.9 | -82.2 | -17.5 | 0 | 0 | 0 | 113.1 | G95 | G95-D99 PolarHBondContact O-N 2.87Š|
| 100 | S | 62.8 | Low | 71.3 | Confident | 111 Ų | 111 | 61.6 Ų | 61.6 | 78% | 0.776 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -9.9 | -175.6 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | L98 | L98-S100 PolarHBondContact O-N 3.48Š|
| 101 | S | 64.7 | Low | 70.9 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -81.4 | -16.1 | -177.1 | 65.4 | 0 | 0 | 0 | 0 | 113 | L98 E103 S104 I105 | L98-S101 WeakPolarHBondContact CB-OG 3.47Å; L98-S101 WeakPolarHBondContact O-CB 3.27Å; L98-S101 PolarHBondContact O-N 3.26Å; L98-S101 PolarHBondContact O-OG 3.03Å; S101-E103 PolarHBondContact O-N 3.15Å; S101-S104 WeakPolarHBondContact O-CB 3.22Å; S101-S104 PolarHBondContact O-N 2.91Å; S101-S104 PolarHBondContact O-OG 3.43Å; S101-I105 WeakPolarHBondContact O-CG1 3.16Å; S101-I105 PolarHBondContact O-N 2.86Å |
| 102 | L | 67.4 | Low | 70.6 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | -179.7 | -172.7 | 66 | 0 | 0 | 0 | 112.7 | L94 S104 I105 M106 | L94-L102 HydrophobicContact CB-CD1 3.86Å; L94-L102 HydrophobicContact CD1-CD1 4.29Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.33Å; L102-I105 WeakPolarHBondContact O-CB 3.34Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; L102-M106 HydrophobicContact CG-SD 4.19Å; L102-M106 WeakPolarHBondContact O-CG 3.31Å; L102-M106 PolarHBondContact O-N 3.1Å |
| 103 | E | 66.7 | Low | 70 | Confident | 150 Ų | 150 | 58.3 Ų | 58.3 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -35 | 176.4 | -74.3 | -174.7 | 171.8 | 0 | 0 | 111.9 | S101 N107 | S101-E103 PolarHBondContact O-N 3.15Å; E103-N107 VanDerWaalsContact O-CB 3.28Å; E103-N107 WeakPolarHBondContact O-CB 2.96Å; E103-N107 PolarHBondContact O-N 3.44Å; E103-N107 PolarHBondContact O-ND2 3.02Å |
| 104 | S | 66.3 | Low | 69.6 | Low | 41 Ų | 41 | 58.2 Ų | 58.2 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.3 | -33.6 | 177.1 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | L5 S101 L102 N107 D108 | L5-S104 WeakPolarHBondContact CD1-OG 3.2Å; S101-S104 WeakPolarHBondContact O-CB 3.22Å; S101-S104 PolarHBondContact O-N 2.91Å; S101-S104 PolarHBondContact O-OG 3.43Å; L102-S104 VanDerWaalsContact C-N 3.25Å; L102-S104 PolarHBondContact O-N 3.33Å; S104-N107 PolarHBondContact O-N 3.13Å; S104-D108 PolarHBondContact O-N 2.98Å |
| 105 | I | 65.9 | Low | 69.5 | Low | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68 | -47.8 | 173 | -62.1 | 169.5 | 0 | 0 | 0 | 110.1 | L5 L9 F27 L98 S101 L102 N107 D108 I111 | L5-I105 HydrophobicContact CD1-CB 4.33Å; L5-I105 HydrophobicContact CD1-CD1 4.33Å; L5-I105 HydrophobicContact CD1-CG1 3.31Å; L5-I105 HydrophobicContact CD2-CG1 4.05Å; L5-I105 HydrophobicContact CG-CG1 4.11Å; L9-I105 HydrophobicContact CD2-CD1 4.2Å; F27-I105 HydrophobicContact CE1-CG2 4.18Å; F27-I105 HydrophobicContact CE2-CD1 4.16Å; F27-I105 HydrophobicContact CZ-CD1 4.12Å; F27-I105 HydrophobicContact CZ-CG2 4.04Å; L98-I105 HydrophobicContact CD1-CD1 3.77Å; L98-I105 HydrophobicContact CD2-CD1 4.29Å; S101-I105 WeakPolarHBondContact O-CG1 3.16Å; S101-I105 PolarHBondContact O-N 2.86Å; L102-I105 WeakPolarHBondContact O-CB 3.34Å; L102-I105 PolarHBondContact O-N 3.13Å; L102-I105 VanDerWaalsContact O-N 3.16Å; I105-N107 PolarHBondContact O-N 3.44Å; I105-D108 PolarHBondContact O-N 3.42Å; I105-I111 HydrophobicContact CG2-CG2 3.97Å |
| 106 | M | 65.1 | Low | 69.4 | Low | 50 Ų | 50 | 58.1 Ų | 58.1 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -25.9 | 176.4 | -68 | 178.6 | 77.1 | 0 | 0 | 112 | L102 M112 R183 | L102-M106 HydrophobicContact CG-SD 4.19Å; L102-M106 WeakPolarHBondContact O-CG 3.31Å; L102-M106 PolarHBondContact O-N 3.1Å; M106-M112 HydrophobicContact CB-SD 4.46Å; M106-M112 HydrophobicContact CG-SD 4.29Å; M106-R183 VanDerWaalsContact CE-O 3.27Å; M106-R183 WeakPolarHBondContact CE-O 3.26Å; M106-R183 WeakPolarHBondContact O-CD 3.46Å; M106-R183 PolarHBondContact O-NH1 3.35Å |
| 107 | N | 67.9 | Low | 69.1 | Low | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -80.3 | -21.6 | 176.3 | -76.4 | -33.1 | 0 | 0 | 0 | 114.5 | E103 S104 I105 N109 R183 | E103-N107 VanDerWaalsContact O-CB 3.28Å; E103-N107 WeakPolarHBondContact O-CB 2.96Å; E103-N107 PolarHBondContact O-N 3.44Å; E103-N107 PolarHBondContact O-ND2 3.02Å; S104-N107 PolarHBondContact O-N 3.13Å; I105-N107 PolarHBondContact O-N 3.44Å; N107-N109 PolarHBondContact O-N 2.97Å; N107-R183 PolarHBondContact O-NH1 3.29Å |
| 108 | D | 69.4 | Low | 69.1 | Low | 36 Ų | 36 | 56.3 Ų | 56.3 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | trans | -85.8 | 102.3 | 177 | -168.2 | -21.2 | 0 | 0 | 0 | 111.9 | S104 I105 R110 I111 M112 | S104-D108 PolarHBondContact O-N 2.98Å; I105-D108 PolarHBondContact O-N 3.42Å; D108-R110 PolarHBondContact O-N 3.38Å; D108-R110 VanDerWaalsContact O-N 3.13Å; D108-R110 PolarHBondContact OD1-N 2.8Å; D108-R110 VanDerWaalsContact OD1-N 3.12Å; D108-I111 HydrophobicContact CB-CB 4.41Å; D108-I111 HydrophobicContact CB-CD1 4.02Å; D108-I111 HydrophobicContact CB-CG1 4.33Å; D108-I111 PolarHBondContact O-N 2.99Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.26Å; D108-M112 PolarHBondContact O-N 3.33Å | ||
| 109 | N | 67.9 | Low | 69.4 | Low | 106 Ų | 106 | 56.2 Ų | 56.2 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56.1 | -30.6 | -177.6 | -69.2 | -18.4 | 0 | 0 | 0 | 114.2 | N107 S113 R183 | N107-N109 PolarHBondContact O-N 2.97Å; N109-S113 WeakPolarHBondContact O-CB 2.98Å; N109-S113 PolarHBondContact O-N 3.42Å; N109-S113 VanDerWaalsContact O-N 3.14Å; N109-R183 VanDerWaalsContact OD1-CZ 3.29Å; N109-R183 PolarHBondContact OD1-NH1 3.36Å; N109-R183 VanDerWaalsContact OD1-NH1 3.14Å; N109-R183 PolarHBondContact OD1-NH2 3.36Å |
| 110 | R | 69.5 | Low | 69.4 | Low | 204 Ų | 204 | 50.4 Ų | 50.4 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72.8 | -43.5 | -178.9 | -72.8 | -173.3 | 179.1 | -145.5 | 1.2 | 110.9 | D108 S113 D114 | D108-R110 PolarHBondContact O-N 3.38Å; D108-R110 VanDerWaalsContact O-N 3.13Å; D108-R110 PolarHBondContact OD1-N 2.8Å; D108-R110 VanDerWaalsContact OD1-N 3.12Å; R110-S113 WeakPolarHBondContact O-CB 3.33Å; R110-S113 PolarHBondContact O-N 3.47Å; R110-D114 VanDerWaalsContact O-CG 3.31Å; R110-D114 PolarHBondContact O-N 2.82Å; R110-D114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 70.5 | Confident | 69.9 | Low | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.8 | -41.1 | -177.9 | -59.2 | 171.8 | 0 | 0 | 0 | 110 | M1 L5 F27 I105 D108 S113 D114 V115 | M1-I111 HydrophobicContact CB-CD1 4.33Å; M1-I111 HydrophobicContact CG-CD1 3.36Å; M1-I111 HydrophobicContact CG-CG1 4.13Å; L5-I111 HydrophobicContact CD2-CD1 3.02Å; L5-I111 HydrophobicContact CD2-CG1 4.5Å; F27-I111 HydrophobicContact CE1-CG2 4.34Å; I105-I111 HydrophobicContact CG2-CG2 3.97Å; D108-I111 HydrophobicContact CB-CB 4.41Å; D108-I111 HydrophobicContact CB-CD1 4.02Å; D108-I111 HydrophobicContact CB-CG1 4.33Å; D108-I111 PolarHBondContact O-N 2.99Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.26Å; I111-S113 PolarHBondContact O-N 3.08Å; I111-D114 PolarHBondContact O-N 3.11Å; I111-D114 VanDerWaalsContact O-N 3.11Å; I111-V115 HydrophobicContact CG2-CG2 4.26Å; I111-V115 VanDerWaalsContact O-CG2 3.32Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.16Å |
| 112 | M | 70.7 | Confident | 70.3 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 171.9 | -76.2 | -59 | -63.4 | 0 | 0 | 112.1 | M106 D108 Q116 R183 S184 L185 | M106-M112 HydrophobicContact CB-SD 4.46Å; M106-M112 HydrophobicContact CG-SD 4.29Å; D108-M112 PolarHBondContact O-N 3.33Å; M112-Q116 WeakPolarHBondContact O-CB 3.49Å; M112-Q116 WeakPolarHBondContact O-CG 3.4Å; M112-Q116 PolarHBondContact O-N 3.13Å; M112-R183 HydrophobicContact CE-CB 4.33Å; M112-R183 VanDerWaalsContact CE-O 3.3Å; M112-R183 WeakPolarHBondContact CE-O 3.3Å; M112-S184 WeakPolarHBondContact CE-O 3.33Å; M112-L185 HydrophobicContact CE-CD2 3.8Å; M112-L185 HydrophobicContact CE-CG 4.32Å; M112-L185 HydrophobicContact SD-CD2 3.64Å |
| 113 | S | 69.6 | Low | 70.3 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.3 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | N109 R110 I111 Q116 C117 R243 | N109-S113 WeakPolarHBondContact O-CB 2.98Å; N109-S113 PolarHBondContact O-N 3.42Å; N109-S113 VanDerWaalsContact O-N 3.14Å; R110-S113 WeakPolarHBondContact O-CB 3.33Å; R110-S113 PolarHBondContact O-N 3.47Å; I111-S113 PolarHBondContact O-N 3.08Å; S113-Q116 PolarHBondContact O-N 2.94Å; S113-C117 WeakPolarHBondContact O-CB 3.36Å; S113-C117 PolarHBondContact O-N 2.81Å; S113-C117 PolarHBondContact O-SG 2.7Å; S113-C117 VanDerWaalsContact O-SG 3.33Å; S113-R243 PolarHBondContact OG-NH1 2.63Å; S113-R243 PolarHBondContact OG-NH2 3.09Å |
| 114 | D | 74.1 | Confident | 70.3 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.1 | -39.5 | -179.6 | -64.7 | -23 | 0 | 0 | 0 | 111.4 | K24 F28 R110 I111 C117 L118 | K24-D114 VanDerWaalsContact CE-OD2 3.26Å; K24-D114 WeakPolarHBondContact CE-OD2 3.36Å; K24-D114 IonicContact NZ-OD2 2.64Å; K24-D114 PolarHBondContact NZ-OD2 3.03Å; F28-D114 HydrophobicContact CE1-CB 4.47Å; F28-D114 HydrophobicContact CE2-CB 4.06Å; F28-D114 HydrophobicContact CZ-CB 3.5Å; R110-D114 VanDerWaalsContact O-CG 3.31Å; R110-D114 PolarHBondContact O-N 2.82Å; R110-D114 VanDerWaalsContact O-N 3.1Å; I111-D114 PolarHBondContact O-N 3.11Å; I111-D114 VanDerWaalsContact O-N 3.11Å; D114-C117 PolarHBondContact O-N 2.74Å; D114-L118 WeakPolarHBondContact O-CB 3.39Å; D114-L118 PolarHBondContact O-N 2.95Å |
| 115 | V | 73.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 172.6 | 170 | 0 | 0 | 0 | 0 | 110.5 | F27 F28 I31 I111 C117 L118 V119 L185 | F27-V115 HydrophobicContact CE1-CG2 3.71Å; F27-V115 HydrophobicContact CZ-CG2 4.41Å; F28-V115 HydrophobicContact CD1-CG2 4.33Å; F28-V115 HydrophobicContact CE1-CG2 3.72Å; I31-V115 HydrophobicContact CD1-CB 4.43Å; I31-V115 HydrophobicContact CD1-CG1 3.82Å; I31-V115 HydrophobicContact CD1-CG2 3.82Å; I111-V115 HydrophobicContact CG2-CG2 4.26Å; I111-V115 VanDerWaalsContact O-CG2 3.32Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.16Å; V115-C117 VanDerWaalsContact C-N 3.34Å; V115-C117 PolarHBondContact O-N 2.91Å; V115-L118 PolarHBondContact O-N 3.37Å; V115-V119 HydrophobicContact CG1-CG2 4.18Å; V115-V119 WeakPolarHBondContact O-CB 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 2.79Å; V115-L185 HydrophobicContact CG1-CD2 3.97Å |
| 116 | Q | 74.2 | Confident | 70.3 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 178.4 | -73.3 | 169.6 | -11.6 | 0 | 0 | 111.6 | M112 S113 V119 T120 S184 T187 | M112-Q116 WeakPolarHBondContact O-CB 3.49Å; M112-Q116 WeakPolarHBondContact O-CG 3.4Å; M112-Q116 PolarHBondContact O-N 3.13Å; S113-Q116 PolarHBondContact O-N 2.94Å; Q116-V119 PolarHBondContact O-N 2.83Å; Q116-T120 WeakPolarHBondContact O-CB 3.44Å; Q116-T120 PolarHBondContact O-N 3.45Å; Q116-T120 PolarHBondContact O-OG1 2.99Å; Q116-S184 PolarHBondContact NE2-O 3.02Å; Q116-T187 HydrophobicContact CG-CG2 4.39Å; Q116-T187 VanDerWaalsContact CG-OG1 3.24Å; Q116-T187 WeakPolarHBondContact CG-OG1 3.49Å; Q116-T187 PolarHBondContact NE2-OG1 2.77Å |
| 117 | C | 73.9 | Confident | 70.2 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 43% | 0.432 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.8 | -75.2 | 0 | 0 | 0 | 0 | 112.1 | S113 D114 V115 T120 S121 | S113-C117 WeakPolarHBondContact O-CB 3.36Å; S113-C117 PolarHBondContact O-N 2.81Å; S113-C117 PolarHBondContact O-SG 2.7Å; S113-C117 VanDerWaalsContact O-SG 3.33Å; D114-C117 PolarHBondContact O-N 2.74Å; V115-C117 VanDerWaalsContact C-N 3.34Å; V115-C117 PolarHBondContact O-N 2.91Å; C117-T120 WeakPolarHBondContact O-CB 3.33Å; C117-T120 PolarHBondContact O-N 3.48Å; C117-S121 WeakPolarHBondContact O-CB 3.43Å; C117-S121 PolarHBondContact O-N 3.4Å |
| 118 | L | 74.6 | Confident | 69.9 | Low | 29 Ų | 29 | 51.4 Ų | 51.4 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 176.5 | 178.6 | 143.4 | 0 | 0 | 0 | 111.2 | F28 I31 V32 D114 V115 T120 S121 V122 | F28-L118 HydrophobicContact CB-CD1 3.57Å; F28-L118 HydrophobicContact CD1-CD1 4.48Å; F28-L118 HydrophobicContact CD2-CD1 3.99Å; F28-L118 HydrophobicContact CG-CD1 3.78Å; I31-L118 HydrophobicContact CB-CD2 4.14Å; I31-L118 HydrophobicContact CG2-CD2 3.64Å; V32-L118 HydrophobicContact CG2-CD1 3.99Å; V32-L118 HydrophobicContact CG2-CD2 3.73Å; V32-L118 HydrophobicContact CG2-CG 4.08Å; D114-L118 WeakPolarHBondContact O-CB 3.39Å; D114-L118 PolarHBondContact O-N 2.95Å; V115-L118 PolarHBondContact O-N 3.37Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 3.49Å; L118-S121 PolarHBondContact O-N 2.88Å; L118-S121 VanDerWaalsContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 3.44Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.13Å |
| 119 | V | 73.6 | Confident | 69.6 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | I31 L35 V115 Q116 S121 V122 L123 I186 | I31-V119 HydrophobicContact CG2-CG2 4.12Å; L35-V119 HydrophobicContact CD1-CB 4.34Å; L35-V119 HydrophobicContact CD1-CG1 4.26Å; L35-V119 HydrophobicContact CD1-CG2 4.05Å; V115-V119 HydrophobicContact CG1-CG2 4.18Å; V115-V119 WeakPolarHBondContact O-CB 3.29Å; V115-V119 WeakPolarHBondContact O-CG2 3.39Å; V115-V119 PolarHBondContact O-N 2.79Å; Q116-V119 PolarHBondContact O-N 2.83Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.39Å; V119-V122 PolarHBondContact O-N 2.64Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.31Å; V119-L123 WeakPolarHBondContact O-CB 3.38Å; V119-L123 VanDerWaalsContact O-CG 3.29Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.08Å; V119-I186 HydrophobicContact CG1-CB 4.09Å; V119-I186 HydrophobicContact CG1-CG1 3.63Å; V119-I186 HydrophobicContact CG1-CG2 3.92Å; V119-I186 HydrophobicContact CG2-CG1 4.49Å |
| 120 | T | 69.3 | Low | 69.5 | Low | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.104 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -45.2 | 176.5 | -53.6 | 0 | 0 | 0 | 0 | 111 | Q116 C117 L118 V122 L123 S124 N190 L191 | Q116-T120 WeakPolarHBondContact O-CB 3.44Å; Q116-T120 PolarHBondContact O-N 3.45Å; Q116-T120 PolarHBondContact O-OG1 2.99Å; C117-T120 WeakPolarHBondContact O-CB 3.33Å; C117-T120 PolarHBondContact O-N 3.48Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 3.49Å; T120-V122 VanDerWaalsContact C-N 3.33Å; T120-V122 PolarHBondContact O-N 3.12Å; T120-L123 PolarHBondContact O-N 3.31Å; T120-S124 WeakPolarHBondContact O-CB 3.45Å; T120-S124 PolarHBondContact O-N 2.91Å; T120-S124 PolarHBondContact O-OG 3.24Å; T120-N190 HydrophobicContact CG2-CB 3.66Å; T120-N190 WeakPolarHBondContact OG1-CB 3.38Å; T120-N190 PolarHBondContact OG1-ND2 3.06Å; T120-L191 HydrophobicContact CG2-CD2 3.56Å; T120-L191 HydrophobicContact CG2-CG 4.09Å |
| 121 | S | 73.2 | Confident | 69.5 | Low | 73 Ų | 73 | 49.1 Ų | 49.1 | 51% | 0.51 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | -179.8 | 73 | 0 | 0 | 0 | 0 | 112.6 | C117 L118 V119 S125 | C117-S121 WeakPolarHBondContact O-CB 3.43Å; C117-S121 PolarHBondContact O-N 3.4Å; L118-S121 PolarHBondContact O-N 2.88Å; L118-S121 VanDerWaalsContact O-N 3.12Å; L118-S121 PolarHBondContact O-OG 3.44Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.39Å; S121-S125 PolarHBondContact O-N 3.44Å |
| 122 | V | 72 | Confident | 69.7 | Low | 24 Ų | 24 | 49.8 Ų | 49.8 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | V32 L35 L118 V119 T120 S125 | V32-V122 HydrophobicContact CG2-CG2 4.31Å; L35-V122 HydrophobicContact CB-CG1 4.04Å; L35-V122 HydrophobicContact CD1-CB 4.16Å; L35-V122 HydrophobicContact CD1-CG1 4.12Å; L35-V122 HydrophobicContact CD1-CG2 4.44Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.13Å; V119-V122 PolarHBondContact O-N 2.64Å; T120-V122 VanDerWaalsContact C-N 3.33Å; T120-V122 PolarHBondContact O-N 3.12Å; V122-S125 WeakPolarHBondContact O-CB 3.29Å; V122-S125 PolarHBondContact O-N 3.34Å; V122-S125 PolarHBondContact O-OG 2.93Å |
| 123 | L | 68 | Low | 70.1 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178 | -68.1 | 176.9 | 0 | 0 | 0 | 113.1 | L40 V119 T120 S125 L126 I186 L191 | L40-L123 HydrophobicContact CD2-CD2 3.39Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.31Å; V119-L123 WeakPolarHBondContact O-CB 3.38Å; V119-L123 VanDerWaalsContact O-CG 3.29Å; V119-L123 WeakPolarHBondContact O-CG 3.49Å; V119-L123 PolarHBondContact O-N 3.08Å; T120-L123 PolarHBondContact O-N 3.31Å; L123-S125 PolarHBondContact O-N 3.48Å; L123-L126 HydrophobicContact CD2-CD1 4.26Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-I186 HydrophobicContact CD1-CG2 4.09Å; L123-L191 HydrophobicContact CB-CD1 4.39Å; L123-L191 HydrophobicContact CB-CD2 4.01Å; L123-L191 HydrophobicContact CD1-CD1 3.88Å |
| 124 | S | 66.5 | Low | 70.6 | Confident | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -26.5 | 175.3 | -77.1 | 0 | 0 | 0 | 0 | 112.6 | T120 L126 K127 E129 | T120-S124 WeakPolarHBondContact O-CB 3.45Å; T120-S124 PolarHBondContact O-N 2.91Å; T120-S124 PolarHBondContact O-OG 3.24Å; S124-L126 PolarHBondContact O-N 3.47Å; S124-K127 PolarHBondContact O-N 2.77Å; S124-E129 WeakPolarHBondContact CB-OE1 3.49Å; S124-E129 PolarHBondContact OG-OE1 3.27Å |
| 125 | S | 67 | Low | 71 | Confident | 85 Ų | 85 | 50.3 Ų | 50.3 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.6 | 177 | 80.4 | 0 | 0 | 0 | 0 | 114.1 | S121 V122 L123 K127 | S121-S125 PolarHBondContact O-N 3.44Å; V122-S125 WeakPolarHBondContact O-CB 3.29Å; V122-S125 PolarHBondContact O-N 3.34Å; V122-S125 PolarHBondContact O-OG 2.93Å; L123-S125 PolarHBondContact O-N 3.48Å; S125-K127 VanDerWaalsContact C-N 3.27Å; S125-K127 PolarHBondContact O-N 3.08Å |
| 126 | L | 65.5 | Low | 71.5 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.1 | -179.2 | -75 | 126.3 | 0 | 0 | 0 | 114.7 | A41 L123 S124 C128 | A41-L126 HydrophobicContact CB-CD2 3.8Å; L123-L126 HydrophobicContact CD2-CD1 4.26Å; L123-L126 WeakPolarHBondContact O-CB 3.43Å; L123-L126 PolarHBondContact O-N 3.33Å; S124-L126 PolarHBondContact O-N 3.47Å; L126-C128 PolarHBondContact O-N 3.44Å; L126-C128 VanDerWaalsContact O-N 3.11Å; L126-C128 PolarHBondContact O-SG 3.19Å; L126-C128 VanDerWaalsContact O-SG 3.32Å |
| 127 | K | 61.9 | Low | 72.1 | Confident | 184 Ų | 184 | 50.7 Ų | 50.7 | 80% | 0.8 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 55.9 | 22.1 | 180 | -59.3 | -176.3 | 178.9 | 179 | 0 | 115.1 | S124 S125 | S124-K127 PolarHBondContact O-N 2.77Å; S125-K127 VanDerWaalsContact C-N 3.27Å; S125-K127 PolarHBondContact O-N 3.08Å |
| 128 | C | 63.5 | Low | 72.7 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | trans | -88.2 | -0.1 | -179.2 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | V48 L126 N130 F131 L132 | V48-C128 HydrophobicContact CG2-CB 4.44Å; L126-C128 PolarHBondContact O-N 3.44Å; L126-C128 VanDerWaalsContact O-N 3.11Å; L126-C128 PolarHBondContact O-SG 3.19Å; L126-C128 VanDerWaalsContact O-SG 3.32Å; C128-N130 PolarHBondContact O-N 3.03Å; C128-F131 PolarHBondContact O-N 2.76Å; C128-L132 HydrophobicContact CB-CD1 4.02Å; C128-L132 HydrophobicContact CB-CG 4.27Å; C128-L132 PolarHBondContact O-N 2.72Å | ||
| 129 | E | 61.9 | Low | 73.3 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57 | -46.3 | -169.1 | -70.3 | -178.1 | 169.1 | 0 | 0 | 113.5 | S124 F131 L132 Q133 | S124-E129 WeakPolarHBondContact CB-OE1 3.49Å; S124-E129 PolarHBondContact OG-OE1 3.27Å; E129-F131 VanDerWaalsContact C-N 3.25Å; E129-F131 PolarHBondContact O-N 3.38Å; E129-L132 PolarHBondContact O-N 3.04Å; E129-Q133 PolarHBondContact O-N 2.85Å; E129-Q133 VanDerWaalsContact O-N 3.08Å |
| 130 | N | 65.8 | Low | 74 | Confident | 127 Ų | 127 | 46.6 Ų | 46.6 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.7 | -29.7 | 179 | -66.5 | -13.3 | 0 | 0 | 0 | 113 | C128 | C128-N130 PolarHBondContact O-N 3.03Å |
| 131 | F | 69 | Low | 75 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -84.4 | -29.7 | -176.9 | -61 | -77.6 | 0 | 0 | 0 | 112.2 | V48 N52 C128 E129 P134 | V48-F131 HydrophobicContact CG1-CB 4Å; V48-F131 HydrophobicContact CG1-CD1 4.11Å; V48-F131 HydrophobicContact CG1-CD2 4.22Å; V48-F131 HydrophobicContact CG1-CG 3.85Å; V48-F131 HydrophobicContact CG2-CB 4.16Å; N52-F131 WeakPolarHBondContact OD1-CD1 3.33Å; N52-F131 WeakPolarHBondContact OD1-CE1 3.03Å; C128-F131 PolarHBondContact O-N 2.76Å; E129-F131 VanDerWaalsContact C-N 3.25Å; E129-F131 PolarHBondContact O-N 3.38Å; F131-P134 WeakPolarHBondContact O-CD 3.32Å |
| 132 | L | 75 | Confident | 75.8 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.7 | -17.6 | 175.6 | -64.1 | 174.8 | 0 | 0 | 0 | 112.3 | L47 F79 C128 E129 L135 W136 | L47-L132 HydrophobicContact CD2-CD2 4.44Å; F79-L132 HydrophobicContact CD2-CD2 4.22Å; F79-L132 HydrophobicContact CE2-CD1 4.2Å; F79-L132 HydrophobicContact CE2-CD2 3.75Å; F79-L132 HydrophobicContact CZ-CD1 4.1Å; F79-L132 HydrophobicContact CZ-CD2 3.99Å; C128-L132 HydrophobicContact CB-CD1 4.02Å; C128-L132 HydrophobicContact CB-CG 4.27Å; C128-L132 PolarHBondContact O-N 2.72Å; E129-L132 PolarHBondContact O-N 3.04Å; L132-L135 HydrophobicContact CD2-CD1 3.95Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 2.68Å; L132-W136 VanDerWaalsContact C-CD1 3.48Å; L132-W136 PolarHBondContact O-N 2.65Å |
| 133 | Q | 79.4 | Confident | 76.6 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 34% | 0.341 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -49.2 | -47.7 | 179.4 | -177.5 | 177.7 | -14.3 | 0 | 0 | 114 | E129 L135 W136 H137 L195 | E129-Q133 PolarHBondContact O-N 2.85Å; E129-Q133 VanDerWaalsContact O-N 3.08Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.37Å; Q133-W136 WeakPolarHBondContact O-CB 3.33Å; Q133-W136 PolarHBondContact O-N 3.04Å; Q133-W136 VanDerWaalsContact O-N 3.17Å; Q133-H137 WeakPolarHBondContact CG-CE1 3.43Å; Q133-H137 WeakPolarHBondContact CG-ND1 3.27Å; Q133-H137 PolarHBondContact NE2-CE1 3.49Å; Q133-H137 PolarHBondContact O-N 3.5Å; Q133-H137 PolarHBondContact O-ND1 3.38Å; Q133-L195 HydrophobicContact CG-CD1 4.2Å; Q133-L195 HydrophobicContact CG-CD2 4.39Å |
| 134 | P | 80.4 | Confident | 77.7 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 178 | -22.4 | 34.9 | 0 | 0 | 0 | 113.7 | I57 L62 L72 F131 H137 S138 | I57-P134 HydrophobicContact CG2-CB 3.62Å; I57-P134 HydrophobicContact CG2-CG 3.61Å; L62-P134 HydrophobicContact CD1-CB 4.24Å; L72-P134 HydrophobicContact CD2-CB 4.26Å; F131-P134 WeakPolarHBondContact O-CD 3.32Å; P134-H137 PolarHBondContact O-N 3.37Å; P134-S138 PolarHBondContact O-N 3.26Å; P134-S138 PolarHBondContact O-OG 2.85Å |
| 135 | L | 82.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71 | -37.5 | 174.9 | -59.2 | 177.2 | 0 | 0 | 0 | 111.2 | L47 L72 L75 F79 L132 Q133 S138 Y139 | L47-L135 HydrophobicContact CD2-CD1 3.7Å; L72-L135 HydrophobicContact CD2-CD2 4.06Å; L75-L135 HydrophobicContact CB-CD2 3.6Å; F79-L135 HydrophobicContact CB-CD1 4.41Å; F79-L135 HydrophobicContact CG-CD1 4.37Å; L132-L135 HydrophobicContact CD2-CD1 3.95Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 2.68Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.37Å; L135-S138 WeakPolarHBondContact CA-OG 3.47Å; L135-S138 PolarHBondContact O-N 2.91Å; L135-S138 PolarHBondContact O-OG 2.98Å; L135-Y139 PolarHBondContact O-N 2.98Å |
| 136 | W | 84 | Confident | 79.8 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 172.3 | -58.3 | 130.4 | 0 | 0 | 0 | 111.9 | F79 L132 Q133 S138 Y139 L140 W188 L191 Y192 L195 | F79-W136 HydrophobicContact CD1-CH2 4.49Å; F79-W136 HydrophobicContact CE1-CE3 4.33Å; F79-W136 AromaticContact CE1-CH2 3.26Å; F79-W136 HydrophobicContact CE1-CH2 3.26Å; F79-W136 AromaticContact CE1-CZ2 3.57Å; F79-W136 HydrophobicContact CE1-CZ2 3.57Å; F79-W136 AromaticContact CE1-CZ3 3.68Å; F79-W136 HydrophobicContact CE1-CZ3 3.68Å; F79-W136 AromaticContact CZ-CH2 3.59Å; F79-W136 HydrophobicContact CZ-CH2 3.59Å; F79-W136 AromaticContact CZ-CZ2 3.55Å; F79-W136 HydrophobicContact CZ-CZ2 3.55Å; F79-W136 HydrophobicContact CZ-CZ3 4.43Å; L132-W136 VanDerWaalsContact C-CD1 3.48Å; L132-W136 PolarHBondContact O-N 2.65Å; Q133-W136 WeakPolarHBondContact O-CB 3.33Å; Q133-W136 PolarHBondContact O-N 3.04Å; Q133-W136 VanDerWaalsContact O-N 3.17Å; W136-S138 VanDerWaalsContact C-N 3.32Å; W136-S138 PolarHBondContact O-N 3.22Å; W136-Y139 PolarHBondContact O-N 3.25Å; W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 VanDerWaalsContact O-CG 3.3Å; W136-L140 WeakPolarHBondContact O-CG 3.37Å; W136-L140 PolarHBondContact O-N 3.41Å; W136-W188 HydrophobicContact CH2-CB 3.65Å; W136-W188 AromaticContact CH2-CD2 3.44Å; W136-W188 HydrophobicContact CH2-CD2 3.44Å; W136-W188 VanDerWaalsContact CH2-CD2 3.44Å; W136-W188 AromaticContact CH2-CE3 3.34Å; W136-W188 HydrophobicContact CH2-CE3 3.34Å; W136-W188 AromaticContact CH2-CG 3.69Å; W136-W188 HydrophobicContact CH2-CG 3.69Å; W136-W188 HydrophobicContact CH2-CH2 4.41Å; W136-W188 HydrophobicContact CH2-CZ2 4.35Å; W136-W188 AromaticContact CH2-CZ3 3.92Å; W136-W188 HydrophobicContact CH2-CZ3 3.92Å; W136-W188 HydrophobicContact CZ3-CB 4.05Å; W136-W188 HydrophobicContact CZ3-CD2 4.04Å; W136-W188 AromaticContact CZ3-CE3 3.5Å; W136-W188 HydrophobicContact CZ3-CE3 3.5Å; W136-W188 VanDerWaalsContact CZ3-CE3 3.5Å; W136-W188 HydrophobicContact CZ3-CG 4.37Å; W136-W188 HydrophobicContact CZ3-CZ3 4.07Å; W136-L191 HydrophobicContact CZ2-CB 4.37Å; W136-L191 HydrophobicContact CZ2-CD1 4.47Å; W136-Y192 HydrophobicContact CD2-CD1 4.5Å; W136-Y192 HydrophobicContact CD2-CG 4.36Å; W136-Y192 HydrophobicContact CE3-CD1 4.03Å; W136-Y192 HydrophobicContact CE3-CG 4.2Å; W136-Y192 HydrophobicContact CZ3-CD1 4.11Å; W136-L195 HydrophobicContact CB-CD1 4.17Å; W136-L195 HydrophobicContact CG-CD1 4.3Å |
| 137 | H | 86.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.069 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.6 | -75 | 54.9 | 0 | 0 | 0 | 111.4 | L62 Q133 P134 L140 C141 Y199 | L62-H137 HydrophobicContact CB-CB 4.08Å; L62-H137 HydrophobicContact CD1-CB 3.55Å; L62-H137 HydrophobicContact CG-CB 4.4Å; Q133-H137 WeakPolarHBondContact CG-CE1 3.43Å; Q133-H137 WeakPolarHBondContact CG-ND1 3.27Å; Q133-H137 PolarHBondContact NE2-CE1 3.49Å; Q133-H137 PolarHBondContact O-N 3.5Å; Q133-H137 PolarHBondContact O-ND1 3.38Å; P134-H137 PolarHBondContact O-N 3.37Å; H137-L140 PolarHBondContact O-N 3.09Å; H137-C141 VanDerWaalsContact O-CB 3.28Å; H137-C141 WeakPolarHBondContact O-CB 3.23Å; H137-C141 PolarHBondContact O-N 3.47Å; H137-Y199 HydrophobicContact CB-CD2 4.3Å; H137-Y199 HydrophobicContact CB-CE2 4.12Å; H137-Y199 AromaticContact CD2-CD2 3.39Å; H137-Y199 WeakPolarHBondContact CD2-CD2 3.3Å; H137-Y199 AromaticContact CD2-CE2 3.86Å; H137-Y199 AromaticContact CG-CD2 3.9Å; H137-Y199 AromaticContact NE2-CD2 3.94Å |
| 138 | S | 87.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.9 | -38.9 | 174.6 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | P134 L135 W136 C141 L142 | P134-S138 PolarHBondContact O-N 3.26Å; P134-S138 PolarHBondContact O-OG 2.85Å; L135-S138 WeakPolarHBondContact CA-OG 3.47Å; L135-S138 PolarHBondContact O-N 2.91Å; L135-S138 PolarHBondContact O-OG 2.98Å; W136-S138 VanDerWaalsContact C-N 3.32Å; W136-S138 PolarHBondContact O-N 3.22Å; S138-C141 PolarHBondContact O-N 3.37Å; S138-L142 PolarHBondContact O-N 3.25Å |
| 139 | Y | 87.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 171.3 | 173.5 | -118.1 | 0 | 0 | 0 | 112.1 | L135 W136 C141 L142 E143 L173 A176 Y192 L240 | L135-Y139 PolarHBondContact O-N 2.98Å; W136-Y139 PolarHBondContact O-N 3.25Å; Y139-C141 VanDerWaalsContact C-N 3.26Å; Y139-C141 PolarHBondContact O-N 2.93Å; Y139-L142 PolarHBondContact O-N 3.1Å; Y139-E143 HydrophobicContact CD2-CG 4.18Å; Y139-E143 HydrophobicContact CE1-CG 4.11Å; Y139-E143 HydrophobicContact CE2-CG 3.49Å; Y139-E143 VanDerWaalsContact CE2-CG 3.49Å; Y139-E143 WeakPolarHBondContact CE2-OE1 3.12Å; Y139-E143 VanDerWaalsContact CZ-CG 3.45Å; Y139-E143 PolarHBondContact O-N 2.67Å; Y139-E143 WeakPolarHBondContact OH-CG 3.36Å; Y139-E143 PolarHBondContact OH-OE1 3.47Å; Y139-L173 HydrophobicContact CD2-CD2 4.4Å; Y139-L173 HydrophobicContact CE2-CD2 4.02Å; Y139-A176 HydrophobicContact CD2-CB 3.71Å; Y139-A176 HydrophobicContact CE2-CB 3.28Å; Y139-Y192 HydrophobicContact CE1-CE2 4.48Å; Y139-L240 HydrophobicContact CE1-CD2 4.13Å |
| 140 | L | 88.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 177.4 | -72.2 | 172.6 | 0 | 0 | 0 | 112 | W136 H137 E143 L144 Y192 Y199 L240 | W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 VanDerWaalsContact O-CG 3.3Å; W136-L140 WeakPolarHBondContact O-CG 3.37Å; W136-L140 PolarHBondContact O-N 3.41Å; H137-L140 PolarHBondContact O-N 3.09Å; L140-E143 PolarHBondContact O-N 2.82Å; L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 PolarHBondContact O-N 3.32Å; L140-Y192 HydrophobicContact CD1-CD2 4.46Å; L140-Y192 HydrophobicContact CD2-CD2 4.24Å; L140-Y192 HydrophobicContact CD2-CE2 3.91Å; L140-Y192 HydrophobicContact CG-CD2 4.47Å; L140-Y199 HydrophobicContact CB-CD1 3.6Å; L140-Y199 HydrophobicContact CB-CD2 4.44Å; L140-Y199 HydrophobicContact CB-CE1 3.51Å; L140-Y199 HydrophobicContact CB-CE2 4.36Å; L140-Y199 HydrophobicContact CB-CG 4.1Å; L140-Y199 HydrophobicContact CD1-CD1 3.85Å; L140-Y199 HydrophobicContact CD1-CD2 4.27Å; L140-Y199 HydrophobicContact CD1-CG 3.68Å; L140-Y199 HydrophobicContact CG-CD1 4.26Å; L140-L240 HydrophobicContact CD2-CD1 3.76Å; L140-L240 HydrophobicContact CD2-CD2 3.74Å; L140-L240 HydrophobicContact CD2-CG 4.41Å |
| 141 | C | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 174.4 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | L62 H64 L66 H137 S138 Y139 E143 L144 E145 Y199 | L62-C141 WeakPolarHBondContact O-CB 3.47Å; H64-C141 PolarHBondContact O-SG 2.94Å; L66-C141 HydrophobicContact CD1-CB 3.93Å; H137-C141 VanDerWaalsContact O-CB 3.28Å; H137-C141 WeakPolarHBondContact O-CB 3.23Å; H137-C141 PolarHBondContact O-N 3.47Å; S138-C141 PolarHBondContact O-N 3.37Å; Y139-C141 VanDerWaalsContact C-N 3.26Å; Y139-C141 PolarHBondContact O-N 2.93Å; C141-E143 PolarHBondContact O-N 3.35Å; C141-L144 WeakPolarHBondContact O-CB 3.39Å; C141-L144 PolarHBondContact O-N 3.15Å; C141-E145 PolarHBondContact O-N 3.38Å; C141-Y199 WeakPolarHBondContact CA-OH 3.5Å; C141-Y199 VanDerWaalsContact CB-OH 3.23Å; C141-Y199 WeakPolarHBondContact CB-OH 3.41Å; C141-Y199 PolarHBondContact N-OH 2.99Å |
| 142 | L | 89 | Confident | 85.7 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.8 | -72.7 | -179.2 | 0 | 0 | 0 | 112.9 | L66 L73 L76 S138 Y139 L144 E145 S146 K169 I172 L173 | L66-L142 HydrophobicContact CD1-CD2 4.43Å; L66-L142 HydrophobicContact CD1-CG 4.31Å; L73-L142 HydrophobicContact CD2-CD1 3.5Å; L73-L142 VanDerWaalsContact CD2-CD1 3.5Å; L73-L142 HydrophobicContact CD2-CD2 4.07Å; L73-L142 HydrophobicContact CD2-CG 3.94Å; L76-L142 HydrophobicContact CD2-CD1 4.23Å; S138-L142 PolarHBondContact O-N 3.25Å; Y139-L142 PolarHBondContact O-N 3.1Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-E145 PolarHBondContact O-N 2.93Å; L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 2.9Å; L142-K169 HydrophobicContact CD2-CB 4.18Å; L142-K169 HydrophobicContact CD2-CD 3.78Å; L142-K169 HydrophobicContact CD2-CG 3.88Å; L142-I172 HydrophobicContact CD1-CG2 4.23Å; L142-L173 HydrophobicContact CB-CD1 4.32Å; L142-L173 HydrophobicContact CB-CD2 3.71Å; L142-L173 HydrophobicContact CB-CG 4.06Å; L142-L173 HydrophobicContact CD1-CG 4.49Å |
| 143 | E | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 176.5 | -79.1 | -68.9 | 174.9 | 0 | 0 | 111.5 | Y139 L140 C141 S146 A147 L173 R177 L236 L240 | Y139-E143 HydrophobicContact CD2-CG 4.18Å; Y139-E143 HydrophobicContact CE1-CG 4.11Å; Y139-E143 HydrophobicContact CE2-CG 3.49Å; Y139-E143 VanDerWaalsContact CE2-CG 3.49Å; Y139-E143 WeakPolarHBondContact CE2-OE1 3.12Å; Y139-E143 VanDerWaalsContact CZ-CG 3.45Å; Y139-E143 PolarHBondContact O-N 2.67Å; Y139-E143 WeakPolarHBondContact OH-CG 3.36Å; Y139-E143 PolarHBondContact OH-OE1 3.47Å; L140-E143 PolarHBondContact O-N 2.82Å; C141-E143 PolarHBondContact O-N 3.35Å; E143-S146 PolarHBondContact O-N 3.12Å; E143-A147 WeakPolarHBondContact O-CB 3.39Å; E143-A147 PolarHBondContact O-N 2.93Å; E143-L173 HydrophobicContact CB-CD2 4.46Å; E143-L173 HydrophobicContact CG-CD2 3.71Å; E143-L173 WeakPolarHBondContact OE1-CD2 3.45Å; E143-R177 VanDerWaalsContact OE1-CG 3.25Å; E143-R177 WeakPolarHBondContact OE1-CG 3.36Å; E143-R177 IonicContact OE1-CZ 2.71Å; E143-R177 IonicContact OE1-NE 2.95Å; E143-R177 PolarHBondContact OE1-NE 2.81Å; E143-R177 IonicContact OE1-NH2 3.33Å; E143-R177 IonicContact OE2-CZ 2.72Å; E143-R177 IonicContact OE2-NE 3.86Å; E143-R177 PolarHBondContact OE2-NE 2.61Å; E143-R177 IonicContact OE2-NH2 3.74Å; E143-R177 PolarHBondContact OE2-NH2 2.78Å; E143-L236 HydrophobicContact CB-CD1 3.82Å; E143-L240 HydrophobicContact CB-CD2 4.07Å; E143-L240 HydrophobicContact CG-CD2 3.93Å |
| 144 | L | 90.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -47.3 | 174.6 | -176 | 59.8 | 0 | 0 | 0 | 111.6 | L140 C141 L142 S146 A147 E148 Y199 A203 R207 L232 L236 | L140-L144 WeakPolarHBondContact O-CB 3.5Å; L140-L144 PolarHBondContact O-N 3.32Å; C141-L144 WeakPolarHBondContact O-CB 3.39Å; C141-L144 PolarHBondContact O-N 3.15Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.97Å; L144-S146 PolarHBondContact O-N 3.37Å; L144-A147 PolarHBondContact O-N 3.08Å; L144-A147 VanDerWaalsContact O-N 3.16Å; L144-E148 HydrophobicContact CD1-CG 4.39Å; L144-E148 WeakPolarHBondContact O-CB 3.13Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.43Å; L144-E148 PolarHBondContact O-N 3.27Å; L144-Y199 HydrophobicContact CD2-CE1 4.45Å; L144-A203 HydrophobicContact CD2-CB 3.81Å; L144-R207 VanDerWaalsContact CD2-NH1 3.29Å; L144-L232 HydrophobicContact CD1-CD2 3.68Å; L144-L236 HydrophobicContact CD1-CD2 3.85Å |
| 145 | E | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.6 | -43.4 | 172.4 | -73.7 | 179.7 | -150.7 | 0 | 0 | 110.8 | T65 L66 C141 L142 E148 M149 P163 I165 K169 | T65-E145 WeakPolarHBondContact CA-OE1 3.26Å; T65-E145 HydrophobicContact CG2-CG 4.2Å; L66-E145 PolarHBondContact N-OE1 3.02Å; C141-E145 PolarHBondContact O-N 3.38Å; L142-E145 PolarHBondContact O-N 2.93Å; E145-E148 PolarHBondContact O-N 3.04Å; E145-M149 WeakPolarHBondContact O-CB 3.48Å; E145-M149 PolarHBondContact O-N 3.3Å; E145-P163 HydrophobicContact CB-CB 4.35Å; E145-P163 WeakPolarHBondContact O-CB 3.42Å; E145-I165 HydrophobicContact CB-CD1 4.41Å; E145-I165 HydrophobicContact CB-CG1 4.35Å; E145-K169 IonicContact OE1-NZ 3.91Å; E145-K169 IonicContact OE2-NZ 2.86Å; E145-K169 PolarHBondContact OE2-NZ 2.93Å |
| 146 | S | 89.3 | Confident | 86.4 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 113.6 | L142 E143 L144 E148 D150 R177 R239 | L142-S146 WeakPolarHBondContact O-CB 3.45Å; L142-S146 PolarHBondContact O-N 2.9Å; E143-S146 PolarHBondContact O-N 3.12Å; L144-S146 PolarHBondContact O-N 3.37Å; S146-E148 VanDerWaalsContact C-N 3.27Å; S146-E148 PolarHBondContact O-N 3.04Å; S146-D150 VanDerWaalsContact O-CG 3.28Å; S146-D150 PolarHBondContact O-N 3.37Å; S146-D150 VanDerWaalsContact O-N 3.17Å; S146-R177 PolarHBondContact OG-NH2 3.37Å; S146-R239 VanDerWaalsContact C-NH1 3.33Å; S146-R239 PolarHBondContact O-NH1 3.43Å; S146-R239 PolarHBondContact OG-NH1 2.89Å |
| 147 | A | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E143 L144 D150 T151 V231 V235 L236 | E143-A147 WeakPolarHBondContact O-CB 3.39Å; E143-A147 PolarHBondContact O-N 2.93Å; L144-A147 PolarHBondContact O-N 3.08Å; L144-A147 VanDerWaalsContact O-N 3.16Å; A147-D150 PolarHBondContact O-N 3.19Å; A147-T151 PolarHBondContact O-N 3.37Å; A147-T151 PolarHBondContact O-OG1 2.92Å; A147-V231 HydrophobicContact CB-CG1 3.99Å; A147-V235 HydrophobicContact CB-CB 4.34Å; A147-V235 HydrophobicContact CB-CG1 3.84Å; A147-L236 HydrophobicContact CB-CB 4.02Å; A147-L236 HydrophobicContact CB-CD1 4.25Å |
| 148 | E | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 179.8 | -75.8 | -179.1 | 152.1 | 0 | 0 | 113.1 | L144 E145 S146 T151 E152 P163 R207 Y227 V231 | L144-E148 HydrophobicContact CD1-CG 4.39Å; L144-E148 WeakPolarHBondContact O-CB 3.13Å; L144-E148 VanDerWaalsContact O-CG 3.29Å; L144-E148 WeakPolarHBondContact O-CG 3.43Å; L144-E148 PolarHBondContact O-N 3.27Å; E145-E148 PolarHBondContact O-N 3.04Å; S146-E148 VanDerWaalsContact C-N 3.27Å; S146-E148 PolarHBondContact O-N 3.04Å; E148-T151 CarbonylContact O-C 3.59Å; E148-T151 PolarHBondContact O-N 2.85Å; E148-E152 PolarHBondContact O-N 3.3Å; E148-P163 HydrophobicContact CB-CB 4.45Å; E148-P163 HydrophobicContact CB-CG 4.34Å; E148-R207 WeakPolarHBondContact OE1-CD 3.22Å; E148-R207 IonicContact OE1-CZ 2.67Å; E148-R207 IonicContact OE1-NE 3Å; E148-R207 PolarHBondContact OE1-NE 3.44Å; E148-R207 IonicContact OE1-NH2 2.74Å; E148-R207 IonicContact OE2-CZ 3.69Å; E148-R207 IonicContact OE2-NE 2.95Å; E148-R207 PolarHBondContact OE2-NE 2.86Å; E148-R207 IonicContact OE2-NH2 3.83Å; E148-R207 PolarHBondContact OE2-NH2 3.19Å; E148-Y227 HydrophobicContact CG-CE2 4.05Å; E148-Y227 WeakPolarHBondContact OE1-CE2 3.35Å; E148-Y227 PolarHBondContact OE1-OH 3.04Å; E148-V231 HydrophobicContact CG-CG1 4Å |
| 149 | M | 86.7 | Confident | 85.9 | Confident | 62 Ų | 62 | 34.1 Ų | 34.1 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.5 | -37.3 | 176.1 | -169.1 | -173.3 | 75 | 0 | 0 | 112 | E145 T151 E152 P163 I165 | E145-M149 WeakPolarHBondContact O-CB 3.48Å; E145-M149 PolarHBondContact O-N 3.3Å; M149-T151 PolarHBondContact O-N 2.98Å; M149-E152 WeakPolarHBondContact O-CG 3.42Å; M149-P163 HydrophobicContact CB-CB 4.12Å; M149-P163 HydrophobicContact CB-CG 3.96Å; M149-I165 HydrophobicContact CB-CD1 4.04Å; M149-I165 HydrophobicContact CE-CB 4.29Å; M149-I165 HydrophobicContact CE-CD1 3.87Å; M149-I165 HydrophobicContact SD-CB 3.87Å; M149-I165 HydrophobicContact SD-CD1 3.82Å; M149-I165 HydrophobicContact SD-CG1 4.05Å |
| 150 | D | 84.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 36.9 Ų | 36.9 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -75.2 | -13.7 | -179.8 | -66.7 | -39 | 0 | 0 | 0 | 113.3 | S146 A147 R239 | S146-D150 VanDerWaalsContact O-CG 3.28Å; S146-D150 PolarHBondContact O-N 3.37Å; S146-D150 VanDerWaalsContact O-N 3.17Å; A147-D150 PolarHBondContact O-N 3.19Å; D150-R239 IonicContact OD2-CZ 3.92Å; D150-R239 IonicContact OD2-NH1 2.88Å; D150-R239 PolarHBondContact OD2-NH1 3.22Å; D150-R239 IonicContact OD2-NH2 2.86Å; D150-R239 PolarHBondContact OD2-NH2 2.96Å |
| 151 | T | 84 | Confident | 85.2 | Confident | 29 Ų | 29 | 37 Ų | 37 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | 41.7 | -176.3 | 53.6 | 0 | 0 | 0 | 0 | 113 | A147 E148 M149 E153 S154 N155 V231 V235 | A147-T151 PolarHBondContact O-N 3.37Å; A147-T151 PolarHBondContact O-OG1 2.92Å; E148-T151 CarbonylContact O-C 3.59Å; E148-T151 PolarHBondContact O-N 2.85Å; M149-T151 PolarHBondContact O-N 2.98Å; T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 2.67Å; T151-E153 VanDerWaalsContact O-N 3.13Å; T151-S154 CarbonylContact O-C 3.51Å; T151-S154 PolarHBondContact O-N 3.45Å; T151-N155 PolarHBondContact O-N 2.7Å; T151-N155 VanDerWaalsContact O-N 3.09Å; T151-V231 VanDerWaalsContact OG1-CG2 3.29Å; T151-V231 WeakPolarHBondContact OG1-CG2 3.42Å; T151-V235 HydrophobicContact CG2-CG2 3.7Å |
| 152 | E | 78.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 41.5 Ų | 41.5 | 59% | 0.589 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -46.6 | -45.1 | -178.7 | -77 | 175.8 | -172.8 | 0 | 0 | 113.5 | E148 M149 S154 N155 | E148-E152 PolarHBondContact O-N 3.3Å; M149-E152 WeakPolarHBondContact O-CG 3.42Å; E152-S154 PolarHBondContact O-N 3.11Å; E152-S154 VanDerWaalsContact O-N 3.12Å; E152-N155 PolarHBondContact O-N 2.97Å |
| 153 | E | 81.7 | Confident | 83.8 | Confident | 189 Ų | 189 | 42.7 Ų | 42.7 | 88% | 0.883 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -63.5 | -20.9 | -179 | -61.3 | -176.8 | 176 | 0 | 0 | 114.9 | T151 K226 | T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 2.67Å; T151-E153 VanDerWaalsContact O-N 3.13Å; E153-K226 PolarHBondContact O-NZ 3.45Å |
| 154 | S | 82.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -108.3 | -0.7 | 177 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | T151 E152 | T151-S154 CarbonylContact O-C 3.51Å; T151-S154 PolarHBondContact O-N 3.45Å; E152-S154 PolarHBondContact O-N 3.11Å; E152-S154 VanDerWaalsContact O-N 3.12Å |
| 155 | N | 84.1 | Confident | 82.8 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | trans | -93.7 | 97.2 | 178.2 | -175.8 | 15.1 | 0 | 0 | 0 | 111.3 | T151 E152 F157 S158 Y227 | T151-N155 PolarHBondContact O-N 2.7Å; T151-N155 VanDerWaalsContact O-N 3.09Å; E152-N155 PolarHBondContact O-N 2.97Å; N155-F157 PolarHBondContact O-N 3.13Å; N155-F157 WeakPolarHBondContact OD1-CB 3.18Å; N155-F157 PolarHBondContact OD1-N 3.37Å; N155-S158 WeakPolarHBondContact O-CB 3.44Å; N155-S158 PolarHBondContact O-N 3Å; N155-S158 PolarHBondContact O-OG 3.01Å; N155-Y227 WeakPolarHBondContact OD1-CE2 3.47Å | ||
| 156 | I | 83.5 | Confident | 82.6 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -67.2 | -25.1 | 175 | -171.7 | 152.6 | 0 | 0 | 0 | 113.1 | S158 S159 L211 F220 I224 | I156-S158 PolarHBondContact O-N 3.17Å; I156-S159 PolarHBondContact O-OG 3.45Å; I156-L211 HydrophobicContact CD1-CD2 4.23Å; I156-L211 HydrophobicContact CG1-CD2 4Å; I156-L211 HydrophobicContact CG2-CD2 4.13Å; I156-F220 HydrophobicContact CD1-CD1 3.81Å; I156-F220 HydrophobicContact CD1-CE1 4.49Å; I156-I224 HydrophobicContact CG2-CG1 4.42Å |
| 157 | F | 87.3 | Confident | 82.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.8 | -3.7 | -178.1 | -54.4 | -65.5 | 0 | 0 | 0 | 113.1 | N155 S159 I160 I161 L204 R207 L211 I224 Y227 | N155-F157 PolarHBondContact O-N 3.13Å; N155-F157 WeakPolarHBondContact OD1-CB 3.18Å; N155-F157 PolarHBondContact OD1-N 3.37Å; F157-S159 PolarHBondContact O-N 3.43Å; F157-I160 PolarHBondContact O-N 2.8Å; F157-I161 PolarHBondContact O-N 3.38Å; F157-L204 HydrophobicContact CE2-CD1 4.39Å; F157-L204 HydrophobicContact CZ-CD1 4.41Å; F157-R207 HydrophobicContact CD1-CB 3.78Å; F157-R207 HydrophobicContact CD2-CB 3.99Å; F157-R207 HydrophobicContact CD2-CG 4.36Å; F157-R207 VanDerWaalsContact CE1-C 3.46Å; F157-R207 HydrophobicContact CE1-CB 3.74Å; F157-R207 WeakPolarHBondContact CE1-O 3.48Å; F157-R207 HydrophobicContact CE2-CB 3.94Å; F157-R207 HydrophobicContact CG-CB 3.91Å; F157-R207 HydrophobicContact CG-CG 4.31Å; F157-R207 HydrophobicContact CZ-CB 3.81Å; F157-L211 HydrophobicContact CD1-CB 4.02Å; F157-L211 HydrophobicContact CD1-CD2 3.93Å; F157-L211 HydrophobicContact CD1-CG 4.5Å; F157-L211 HydrophobicContact CE1-CB 3.92Å; F157-L211 HydrophobicContact CE1-CD2 3.6Å; F157-L211 HydrophobicContact CE1-CG 4.4Å; F157-I224 HydrophobicContact CZ-CG1 4.16Å; F157-Y227 HydrophobicContact CD2-CD1 4.31Å; F157-Y227 AromaticContact CD2-CD2 3.86Å; F157-Y227 HydrophobicContact CD2-CD2 3.86Å; F157-Y227 HydrophobicContact CD2-CE1 4.16Å; F157-Y227 AromaticContact CD2-CE2 3.66Å; F157-Y227 HydrophobicContact CD2-CE2 3.66Å; F157-Y227 HydrophobicContact CD2-CG 4.17Å; F157-Y227 AromaticContact CD2-CZ 3.82Å; F157-Y227 AromaticContact CE2-CD1 3.66Å; F157-Y227 HydrophobicContact CE2-CD1 3.66Å; F157-Y227 AromaticContact CE2-CD2 3.99Å; F157-Y227 HydrophobicContact CE2-CD2 3.99Å; F157-Y227 AromaticContact CE2-CE1 3.7Å; F157-Y227 HydrophobicContact CE2-CE1 3.7Å; F157-Y227 HydrophobicContact CE2-CE2 4.01Å; F157-Y227 AromaticContact CE2-CG 3.8Å; F157-Y227 HydrophobicContact CE2-CG 3.8Å; F157-Y227 AromaticContact CE2-CZ 3.86Å |
| 158 | S | 82.3 | Confident | 82.2 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -59.9 | -27.9 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | N155 I156 I160 | N155-S158 WeakPolarHBondContact O-CB 3.44Å; N155-S158 PolarHBondContact O-N 3Å; N155-S158 PolarHBondContact O-OG 3.01Å; I156-S158 PolarHBondContact O-N 3.17Å; S158-I160 PolarHBondContact O-N 2.84Å |
| 159 | S | 78.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -69.1 | -18.6 | 176.3 | 54 | 0 | 0 | 0 | 0 | 113.6 | I156 F157 | I156-S159 PolarHBondContact O-OG 3.45Å; F157-S159 PolarHBondContact O-N 3.43Å |
| 160 | I | 80.3 | Confident | 82.2 | Confident | 66 Ų | 66 | 63 Ų | 63 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -44.1 | -171.3 | -60.1 | 176.6 | 0 | 0 | 0 | 110.7 | F157 S158 L210 L211 | F157-I160 PolarHBondContact O-N 2.8Å; S158-I160 PolarHBondContact O-N 2.84Å; I160-L210 HydrophobicContact CG2-CB 4.27Å; I160-L210 HydrophobicContact CG2-CD2 3.24Å; I160-L210 HydrophobicContact CG2-CG 3.46Å; I160-L210 VanDerWaalsContact CG2-CG 3.46Å; I160-L211 HydrophobicContact CD1-CB 3.79Å; I160-L211 HydrophobicContact CD1-CD1 3.43Å; I160-L211 VanDerWaalsContact CD1-CD1 3.43Å; I160-L211 HydrophobicContact CD1-CG 4.21Å; I160-L211 HydrophobicContact CG1-CD1 4.49Å |
| 161 | I | 81.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | trans | -116.6 | 105.8 | 179.1 | -55.7 | -176 | 0 | 0 | 0 | 107.1 | T65 F157 P163 R207 L210 | T65-I161 HydrophobicContact CG2-CG2 3.41Å; T65-I161 VanDerWaalsContact CG2-CG2 3.41Å; F157-I161 PolarHBondContact O-N 3.38Å; I161-P163 WeakPolarHBondContact O-CD 3.04Å; I161-R207 HydrophobicContact CD1-CG 3.96Å; I161-L210 HydrophobicContact CD1-CD2 4.05Å; I161-L210 HydrophobicContact CG1-CD2 3.93Å | ||
| 162 | C | 75.5 | Confident | 82.4 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | trans | -82.7 | 109.2 | 172.1 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | N164 | C162-N164 PolarHBondContact O-N 2.82Š| ||
| 163 | P | 72.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 17% | 0.169 | 31% | 0.309 | C | S | . | . | trans | -62.9 | 124.1 | 173.1 | 27.4 | -33 | 0 | 0 | 0 | 108.7 | E145 E148 M149 I161 | E145-P163 HydrophobicContact CB-CB 4.35Å; E145-P163 WeakPolarHBondContact O-CB 3.42Å; E148-P163 HydrophobicContact CB-CB 4.45Å; E148-P163 HydrophobicContact CB-CG 4.34Å; M149-P163 HydrophobicContact CB-CB 4.12Å; M149-P163 HydrophobicContact CB-CG 3.96Å; I161-P163 WeakPolarHBondContact O-CD 3.04Å | ||
| 164 | N | 77.5 | Confident | 83 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | trans | -119 | 94.4 | 179.1 | -178.5 | 12.8 | 0 | 0 | 0 | 109.6 | C162 K169 | C162-N164 PolarHBondContact O-N 2.82Å; N164-K169 WeakPolarHBondContact O-CD 3.48Å; N164-K169 WeakPolarHBondContact O-CE 3.31Å; N164-K169 PolarHBondContact O-NZ 2.7Å | ||
| 165 | I | 81.1 | Confident | 83 | Confident | 26 Ų | 26 | 53 Ų | 53 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -100.6 | 99.9 | -179.9 | -58.5 | 175.3 | 0 | 0 | 0 | 108.5 | E145 M149 K169 M170 | E145-I165 HydrophobicContact CB-CD1 4.41Å; E145-I165 HydrophobicContact CB-CG1 4.35Å; M149-I165 HydrophobicContact CB-CD1 4.04Å; M149-I165 HydrophobicContact CE-CB 4.29Å; M149-I165 HydrophobicContact CE-CD1 3.87Å; M149-I165 HydrophobicContact SD-CB 3.87Å; M149-I165 HydrophobicContact SD-CD1 3.82Å; M149-I165 HydrophobicContact SD-CG1 4.05Å; I165-K169 HydrophobicContact CG2-CB 4.22Å; I165-M170 HydrophobicContact CG2-CB 4.05Å | ||
| 166 | T | 85.9 | Confident | 83 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | trans | -76.2 | 162 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | D68 R168 K169 M170 | D68-T166 PolarHBondContact OD1-OG1 3.31Å; D68-T166 VanDerWaalsContact OD2-CB 3.29Å; D68-T166 WeakPolarHBondContact OD2-CB 3.32Å; D68-T166 WeakPolarHBondContact OD2-CG2 3.41Å; D68-T166 PolarHBondContact OD2-OG1 3.27Å; T166-R168 PolarHBondContact O-N 3.35Å; T166-R168 VanDerWaalsContact O-N 3.11Å; T166-K169 PolarHBondContact O-N 3.45Å; T166-M170 PolarHBondContact O-N 2.92Å | ||
| 167 | D | 84.9 | Confident | 82.9 | Confident | 142 Ų | 142 | 53 Ų | 53 | 76% | 0.759 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -52.9 | -36.2 | 176.5 | -69.9 | -31 | 0 | 0 | 0 | 111.7 | M170 Q171 | D167-M170 PolarHBondContact O-N 2.97Å; D167-Q171 VanDerWaalsContact O-CG 3.27Å; D167-Q171 WeakPolarHBondContact O-CG 3.44Å; D167-Q171 PolarHBondContact O-N 3.18Å |
| 168 | R | 84.7 | Confident | 82.4 | Confident | 116 Ų | 116 | 57 Ų | 57 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 177.7 | -176.5 | 178.3 | 176 | -161.2 | -7.8 | 111.9 | D68 T166 M170 Q171 I172 | D68-R168 PolarHBondContact O-NH1 3.04Å; T166-R168 PolarHBondContact O-N 3.35Å; T166-R168 VanDerWaalsContact O-N 3.11Å; R168-M170 VanDerWaalsContact C-N 3.31Å; R168-M170 PolarHBondContact O-N 3.06Å; R168-Q171 PolarHBondContact O-N 3.25Å; R168-I172 HydrophobicContact CG-CD1 4.47Å; R168-I172 WeakPolarHBondContact O-CG1 3.43Å; R168-I172 PolarHBondContact O-N 2.88Å; R168-I172 VanDerWaalsContact O-N 3.15Å |
| 169 | K | 88.7 | Confident | 82 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.2 | -72.7 | 177.3 | 171.1 | -170.8 | 0 | 111.3 | L66 D68 L73 L142 E145 N164 I165 T166 Q171 I172 L173 | L66-K169 WeakPolarHBondContact O-CE 3.43Å; L66-K169 PolarHBondContact O-NZ 2.78Å; D68-K169 WeakPolarHBondContact OD1-CE 3.32Å; D68-K169 WeakPolarHBondContact OD1-CG 3.38Å; L73-K169 HydrophobicContact CD1-CG 4.43Å; L142-K169 HydrophobicContact CD2-CB 4.18Å; L142-K169 HydrophobicContact CD2-CD 3.78Å; L142-K169 HydrophobicContact CD2-CG 3.88Å; E145-K169 IonicContact OE1-NZ 3.91Å; E145-K169 IonicContact OE2-NZ 2.86Å; E145-K169 PolarHBondContact OE2-NZ 2.93Å; N164-K169 WeakPolarHBondContact O-CD 3.48Å; N164-K169 WeakPolarHBondContact O-CE 3.31Å; N164-K169 PolarHBondContact O-NZ 2.7Å; I165-K169 HydrophobicContact CG2-CB 4.22Å; T166-K169 PolarHBondContact O-N 3.45Å; K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 PolarHBondContact O-N 3.14Å; K169-I172 PolarHBondContact O-N 2.6Å; K169-L173 PolarHBondContact O-N 2.84Å |
| 170 | M | 87.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 34% | 0.335 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 178.2 | -170.9 | 57.3 | 156.8 | 0 | 0 | 111.9 | I165 T166 D167 R168 I172 L173 L174 | I165-M170 HydrophobicContact CG2-CB 4.05Å; T166-M170 PolarHBondContact O-N 2.92Å; D167-M170 PolarHBondContact O-N 2.97Å; R168-M170 VanDerWaalsContact C-N 3.31Å; R168-M170 PolarHBondContact O-N 3.06Å; M170-I172 PolarHBondContact O-N 2.77Å; M170-L173 PolarHBondContact O-N 3.38Å; M170-L174 HydrophobicContact CG-CD1 4.21Å; M170-L174 HydrophobicContact CG-CG 4.45Å; M170-L174 WeakPolarHBondContact O-CB 3.42Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.41Å; M170-L174 PolarHBondContact O-N 3.34Å; M170-L174 HydrophobicContact SD-CG 4.48Å |
| 171 | Q | 86.5 | Confident | 81.1 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 173.8 | -70.9 | -63.9 | -20.3 | 0 | 0 | 111.9 | D167 R168 K169 L173 L174 S175 | D167-Q171 VanDerWaalsContact O-CG 3.27Å; D167-Q171 WeakPolarHBondContact O-CG 3.44Å; D167-Q171 PolarHBondContact O-N 3.18Å; R168-Q171 PolarHBondContact O-N 3.25Å; K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 PolarHBondContact O-N 3.14Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.28Å; Q171-L174 PolarHBondContact O-N 3.07Å; Q171-S175 PolarHBondContact O-N 2.9Å; Q171-S175 PolarHBondContact O-OG 3.29Å |
| 172 | I | 86.2 | Confident | 80 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.4 | -64.4 | 168.2 | 0 | 0 | 0 | 110.7 | L73 L76 C77 I80 L142 R168 K169 M170 S175 A176 | L73-I172 HydrophobicContact CB-CD1 4.45Å; L76-I172 HydrophobicContact CD2-CG2 3.96Å; L76-I172 HydrophobicContact CG-CG2 4.25Å; C77-I172 HydrophobicContact CB-CD1 4.36Å; C77-I172 HydrophobicContact CB-CG1 4.31Å; I80-I172 HydrophobicContact CD1-CG2 3.8Å; L142-I172 HydrophobicContact CD1-CG2 4.23Å; R168-I172 HydrophobicContact CG-CD1 4.47Å; R168-I172 WeakPolarHBondContact O-CG1 3.43Å; R168-I172 PolarHBondContact O-N 2.88Å; R168-I172 VanDerWaalsContact O-N 3.15Å; K169-I172 PolarHBondContact O-N 2.6Å; M170-I172 PolarHBondContact O-N 2.77Å; I172-S175 PolarHBondContact O-N 2.95Å; I172-A176 WeakPolarHBondContact O-CB 3.2Å; I172-A176 PolarHBondContact O-N 3.12Å |
| 173 | L | 87.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.6 | -80.2 | 170.7 | 0 | 0 | 0 | 112.4 | Y139 L142 E143 K169 M170 Q171 A176 R177 | Y139-L173 HydrophobicContact CD2-CD2 4.4Å; Y139-L173 HydrophobicContact CE2-CD2 4.02Å; L142-L173 HydrophobicContact CB-CD1 4.32Å; L142-L173 HydrophobicContact CB-CD2 3.71Å; L142-L173 HydrophobicContact CB-CG 4.06Å; L142-L173 HydrophobicContact CD1-CG 4.49Å; E143-L173 HydrophobicContact CB-CD2 4.46Å; E143-L173 HydrophobicContact CG-CD2 3.71Å; E143-L173 WeakPolarHBondContact OE1-CD2 3.45Å; K169-L173 PolarHBondContact O-N 2.84Å; M170-L173 PolarHBondContact O-N 3.38Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.28Å; L173-A176 PolarHBondContact O-N 3.04Å; L173-R177 WeakPolarHBondContact O-CB 3.08Å; L173-R177 VanDerWaalsContact O-CG 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.32Å; L173-R177 PolarHBondContact O-N 3.42Å |
| 174 | L | 85.6 | Confident | 79.2 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.8 | -71.3 | 171.8 | 0 | 0 | 0 | 111.6 | M170 Q171 R177 N178 | M170-L174 HydrophobicContact CG-CD1 4.21Å; M170-L174 HydrophobicContact CG-CG 4.45Å; M170-L174 WeakPolarHBondContact O-CB 3.42Å; M170-L174 VanDerWaalsContact O-CG 3.28Å; M170-L174 WeakPolarHBondContact O-CG 3.41Å; M170-L174 PolarHBondContact O-N 3.34Å; M170-L174 HydrophobicContact SD-CG 4.48Å; Q171-L174 PolarHBondContact O-N 3.07Å; L174-R177 PolarHBondContact O-N 2.83Å; L174-N178 VanDerWaalsContact O-CG 3.29Å; L174-N178 PolarHBondContact O-N 2.96Å; L174-N178 PolarHBondContact O-ND2 3.49Å |
| 175 | S | 82.4 | Confident | 78.5 | Confident | 42 Ų | 42 | 50.7 Ų | 50.7 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 174 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | Q171 I172 N178 | Q171-S175 PolarHBondContact O-N 2.9Å; Q171-S175 PolarHBondContact O-OG 3.29Å; I172-S175 PolarHBondContact O-N 2.95Å; S175-N178 WeakPolarHBondContact O-CB 3.49Å; S175-N178 PolarHBondContact O-N 3.48Å |
| 176 | A | 83.3 | Confident | 77.9 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I80 Y139 I172 L173 N178 L179 T180 | I80-A176 HydrophobicContact CD1-CB 3.81Å; I80-A176 HydrophobicContact CG1-CB 4.42Å; Y139-A176 HydrophobicContact CD2-CB 3.71Å; Y139-A176 HydrophobicContact CE2-CB 3.28Å; I172-A176 WeakPolarHBondContact O-CB 3.2Å; I172-A176 PolarHBondContact O-N 3.12Å; L173-A176 PolarHBondContact O-N 3.04Å; A176-N178 VanDerWaalsContact C-N 3.26Å; A176-N178 PolarHBondContact O-N 2.84Å; A176-L179 WeakPolarHBondContact O-CB 3.44Å; A176-L179 PolarHBondContact O-N 2.82Å; A176-T180 PolarHBondContact O-N 3.36Å |
| 177 | R | 82.3 | Confident | 77 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | 177.8 | -76.8 | 175.4 | -175 | 168.3 | 3.3 | 112.7 | E143 S146 L173 L174 L179 T180 H181 | E143-R177 VanDerWaalsContact OE1-CG 3.25Å; E143-R177 WeakPolarHBondContact OE1-CG 3.36Å; E143-R177 IonicContact OE1-CZ 2.71Å; E143-R177 IonicContact OE1-NE 2.95Å; E143-R177 PolarHBondContact OE1-NE 2.81Å; E143-R177 IonicContact OE1-NH2 3.33Å; E143-R177 IonicContact OE2-CZ 2.72Å; E143-R177 IonicContact OE2-NE 3.86Å; E143-R177 PolarHBondContact OE2-NE 2.61Å; E143-R177 IonicContact OE2-NH2 3.74Å; E143-R177 PolarHBondContact OE2-NH2 2.78Å; S146-R177 PolarHBondContact OG-NH2 3.37Å; L173-R177 WeakPolarHBondContact O-CB 3.08Å; L173-R177 VanDerWaalsContact O-CG 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.32Å; L173-R177 PolarHBondContact O-N 3.42Å; L174-R177 PolarHBondContact O-N 2.83Å; R177-L179 VanDerWaalsContact C-N 3.26Å; R177-L179 PolarHBondContact O-N 3.38Å; R177-T180 WeakPolarHBondContact CA-OG1 3.28Å; R177-T180 PolarHBondContact O-N 3.31Å; R177-T180 PolarHBondContact O-OG1 3.13Å; R177-H181 WeakPolarHBondContact O-CB 3.35Å; R177-H181 PolarHBondContact O-CD2 2.9Å; R177-H181 PolarHBondContact O-N 3.48Å |
| 178 | N | 77.1 | Confident | 76.3 | Confident | 86 Ų | 86 | 41.9 Ų | 41.9 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -36.5 | 173.6 | -73.6 | -26 | 0 | 0 | 0 | 111.6 | L174 S175 A176 T180 N182 | L174-N178 VanDerWaalsContact O-CG 3.29Å; L174-N178 PolarHBondContact O-N 2.96Å; L174-N178 PolarHBondContact O-ND2 3.49Å; S175-N178 WeakPolarHBondContact O-CB 3.49Å; S175-N178 PolarHBondContact O-N 3.48Å; A176-N178 VanDerWaalsContact C-N 3.26Å; A176-N178 PolarHBondContact O-N 2.84Å; N178-T180 VanDerWaalsContact C-N 3.33Å; N178-N182 WeakPolarHBondContact O-CB 3.32Å; N178-N182 PolarHBondContact O-N 3.29Å; N178-N182 PolarHBondContact O-ND2 2.66Å |
| 179 | L | 73.4 | Confident | 75.4 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74 | -20.3 | 176.1 | -70.2 | 171.4 | 0 | 0 | 0 | 113.8 | I80 I83 D84 N87 A176 R177 S184 W188 | I80-L179 HydrophobicContact CB-CD1 4.48Å; I80-L179 HydrophobicContact CG2-CD1 3.89Å; I83-L179 HydrophobicContact CG2-CD1 4.24Å; I83-L179 HydrophobicContact CG2-CD2 4.05Å; D84-L179 WeakPolarHBondContact OD1-CD2 3.43Å; D84-L179 VanDerWaalsContact OD1-CG 3.3Å; D84-L179 WeakPolarHBondContact OD1-CG 3.13Å; N87-L179 VanDerWaalsContact ND2-CD2 3.26Å; N87-L179 WeakPolarHBondContact ND2-CD2 3.48Å; A176-L179 WeakPolarHBondContact O-CB 3.44Å; A176-L179 PolarHBondContact O-N 2.82Å; R177-L179 VanDerWaalsContact C-N 3.26Å; R177-L179 PolarHBondContact O-N 3.38Å; L179-S184 PolarHBondContact O-OG 3.28Å; L179-W188 HydrophobicContact CD1-CE3 4.26Å; L179-W188 HydrophobicContact CD1-CZ3 4.24Å |
| 180 | T | 70.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -97.3 | -36.7 | -179 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | A176 R177 N178 N189 | A176-T180 PolarHBondContact O-N 3.36Å; R177-T180 WeakPolarHBondContact CA-OG1 3.28Å; R177-T180 PolarHBondContact O-N 3.31Å; R177-T180 PolarHBondContact O-OG1 3.13Å; N178-T180 VanDerWaalsContact C-N 3.33Å; T180-N189 VanDerWaalsContact CB-OD1 3.23Å; T180-N189 WeakPolarHBondContact CB-OD1 3.33Å; T180-N189 WeakPolarHBondContact CG2-OD1 3.47Å; T180-N189 PolarHBondContact O-ND2 2.82Å |
| 181 | H | 68.3 | Low | 73.4 | Confident | 76 Ų | 76 | 36.5 Ų | 36.5 | 35% | 0.352 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -100.3 | -31.3 | -173.9 | -69.7 | -66 | 0 | 0 | 0 | 114.5 | R177 P238 R239 | R177-H181 WeakPolarHBondContact O-CB 3.35Å; R177-H181 PolarHBondContact O-CD2 2.9Å; R177-H181 PolarHBondContact O-N 3.48Å; H181-P238 PolarHBondContact CE1-O 3.06Å; H181-R239 PolarHBondContact CE1-O 3.2Å; H181-R239 PolarHBondContact NE2-O 3.41Å |
| 182 | N | 60.2 | Low | 73 | Confident | 93 Ų | 93 | 30.9 Ų | 30.9 | 50% | 0.497 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -73.8 | 151 | 174.1 | -63 | -33.7 | 0 | 0 | 0 | 109 | N178 S184 | N178-N182 WeakPolarHBondContact O-CB 3.32Å; N178-N182 PolarHBondContact O-N 3.29Å; N178-N182 PolarHBondContact O-ND2 2.66Å; N182-S184 PolarHBondContact O-N 3.35Å |
| 183 | R | 61.8 | Low | 72.6 | Confident | 108 Ų | 108 | 33.9 Ų | 33.9 | 41% | 0.408 | 17% | 0.167 | S | C | . | . | trans | -72.1 | 48.5 | 175.9 | -59.1 | -170.7 | -175.2 | -162.8 | 2.5 | 111.1 | M106 N107 N109 M112 | M106-R183 VanDerWaalsContact CE-O 3.27Å; M106-R183 WeakPolarHBondContact CE-O 3.26Å; M106-R183 WeakPolarHBondContact O-CD 3.46Å; M106-R183 PolarHBondContact O-NH1 3.35Å; N107-R183 PolarHBondContact O-NH1 3.29Å; N109-R183 VanDerWaalsContact OD1-CZ 3.29Å; N109-R183 PolarHBondContact OD1-NH1 3.36Å; N109-R183 VanDerWaalsContact OD1-NH1 3.14Å; N109-R183 PolarHBondContact OD1-NH2 3.36Å; M112-R183 HydrophobicContact CE-CB 4.33Å; M112-R183 VanDerWaalsContact CE-O 3.3Å; M112-R183 WeakPolarHBondContact CE-O 3.3Å | ||
| 184 | S | 68 | Low | 72.3 | Confident | 18 Ų | 18 | 39 Ų | 39 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | trans | -62.9 | 148.7 | 171.8 | 57.1 | 0 | 0 | 0 | 0 | 109.2 | M112 Q116 L179 N182 I186 T187 | M112-S184 WeakPolarHBondContact CE-O 3.33Å; Q116-S184 PolarHBondContact NE2-O 3.02Å; L179-S184 PolarHBondContact O-OG 3.28Å; N182-S184 PolarHBondContact O-N 3.35Å; S184-I186 PolarHBondContact OG-O 2.93Å; S184-T187 VanDerWaalsContact OG-CG2 3.3Å; S184-T187 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 185 | L | 64.5 | Low | 72.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -75.6 | -36.1 | -176.9 | -70.9 | 159.9 | 0 | 0 | 0 | 110.4 | N87 L90 L94 M112 V115 | N87-L185 PolarHBondContact OD1-N 2.99Å; L90-L185 HydrophobicContact CD2-CB 3.6Å; L90-L185 HydrophobicContact CD2-CD1 3.37Å; L90-L185 HydrophobicContact CD2-CG 4.05Å; L94-L185 HydrophobicContact CD1-CD1 3.9Å; M112-L185 HydrophobicContact CE-CD2 3.8Å; M112-L185 HydrophobicContact CE-CG 4.32Å; M112-L185 HydrophobicContact SD-CD2 3.64Å; V115-L185 HydrophobicContact CG1-CD2 3.97Å |
| 186 | I | 66.9 | Low | 72.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -99.4 | 95.3 | 167.6 | -56.7 | 128.6 | 0 | 0 | 0 | 108.3 | I83 L86 N87 L90 V119 L123 S184 | I83-I186 HydrophobicContact CD1-CG2 4.47Å; I83-I186 HydrophobicContact CG2-CG2 3.99Å; L86-I186 HydrophobicContact CB-CD1 4.17Å; L86-I186 HydrophobicContact CD2-CD1 3.52Å; L86-I186 HydrophobicContact CD2-CG1 4.2Å; L86-I186 HydrophobicContact CG-CD1 3.65Å; N87-I186 HydrophobicContact CB-CD1 4.45Å; N87-I186 PolarHBondContact ND2-O 3.17Å; N87-I186 WeakPolarHBondContact OD1-CA 3.35Å; N87-I186 VanDerWaalsContact OD1-CB 3.22Å; N87-I186 WeakPolarHBondContact OD1-CB 3.35Å; N87-I186 VanDerWaalsContact OD1-CD1 3.3Å; N87-I186 WeakPolarHBondContact OD1-CD1 3.39Å; N87-I186 PolarHBondContact OD1-N 3.3Å; L90-I186 HydrophobicContact CB-CD1 4.2Å; L90-I186 HydrophobicContact CD1-CD1 3.88Å; L90-I186 HydrophobicContact CD1-CG1 4.37Å; V119-I186 HydrophobicContact CG1-CB 4.09Å; V119-I186 HydrophobicContact CG1-CG1 3.63Å; V119-I186 HydrophobicContact CG1-CG2 3.92Å; V119-I186 HydrophobicContact CG2-CG1 4.49Å; L123-I186 HydrophobicContact CD1-CG2 4.09Å; S184-I186 PolarHBondContact OG-O 2.93Å |
| 187 | T | 67.1 | Low | 72.6 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -99.9 | 134.5 | 166.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | Q116 S184 | Q116-T187 HydrophobicContact CG-CG2 4.39Å; Q116-T187 VanDerWaalsContact CG-OG1 3.24Å; Q116-T187 WeakPolarHBondContact CG-OG1 3.49Å; Q116-T187 PolarHBondContact NE2-OG1 2.77Å; S184-T187 VanDerWaalsContact OG-CG2 3.3Å; S184-T187 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 188 | W | 71.1 | Confident | 72.9 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | trans | -87.7 | -6.5 | 178.8 | -66.2 | -16.8 | 0 | 0 | 0 | 115.4 | F79 I80 I83 W136 L179 N190 L191 Y192 | F79-W188 HydrophobicContact CD1-CE3 4.36Å; F79-W188 AromaticContact CD1-CH2 3.12Å; F79-W188 HydrophobicContact CD1-CH2 3.12Å; F79-W188 HydrophobicContact CD1-CZ2 4.05Å; F79-W188 AromaticContact CD1-CZ3 3.3Å; F79-W188 HydrophobicContact CD1-CZ3 3.3Å; F79-W188 AromaticContact CD2-CH2 3.65Å; F79-W188 HydrophobicContact CD2-CH2 3.65Å; F79-W188 HydrophobicContact CD2-CZ2 4.05Å; F79-W188 HydrophobicContact CE1-CD2 4.37Å; F79-W188 AromaticContact CE1-CE3 3.8Å; F79-W188 HydrophobicContact CE1-CE3 3.8Å; F79-W188 AromaticContact CE1-CH2 2.93Å; F79-W188 HydrophobicContact CE1-CH2 2.93Å; F79-W188 AromaticContact CE1-CZ2 3.47Å; F79-W188 HydrophobicContact CE1-CZ2 3.47Å; F79-W188 VanDerWaalsContact CE1-CZ2 3.47Å; F79-W188 AromaticContact CE1-CZ3 3.1Å; F79-W188 HydrophobicContact CE1-CZ3 3.1Å; F79-W188 AromaticContact CE2-CH2 3.46Å; F79-W188 HydrophobicContact CE2-CH2 3.46Å; F79-W188 VanDerWaalsContact CE2-CH2 3.46Å; F79-W188 AromaticContact CE2-CZ2 3.44Å; F79-W188 HydrophobicContact CE2-CZ2 3.44Å; F79-W188 VanDerWaalsContact CE2-CZ2 3.44Å; F79-W188 HydrophobicContact CE2-CZ3 4.45Å; F79-W188 AromaticContact CG-CH2 3.48Å; F79-W188 HydrophobicContact CG-CH2 3.48Å; F79-W188 VanDerWaalsContact CG-CH2 3.48Å; F79-W188 HydrophobicContact CG-CZ2 4.32Å; F79-W188 HydrophobicContact CG-CZ3 4.1Å; F79-W188 HydrophobicContact CZ-CD2 4.45Å; F79-W188 AromaticContact CZ-CE2 3.94Å; F79-W188 HydrophobicContact CZ-CE3 4.31Å; F79-W188 AromaticContact CZ-CH2 3.1Å; F79-W188 HydrophobicContact CZ-CH2 3.1Å; F79-W188 AromaticContact CZ-CZ2 3.1Å; F79-W188 HydrophobicContact CZ-CZ2 3.1Å; F79-W188 AromaticContact CZ-CZ3 3.74Å; F79-W188 HydrophobicContact CZ-CZ3 3.74Å; F79-W188 WeakPolarHBondContact O-CH2 3.16Å; I80-W188 HydrophobicContact CG1-CZ3 4.37Å; I83-W188 HydrophobicContact CB-CH2 3.58Å; I83-W188 HydrophobicContact CB-CZ2 3.34Å; I83-W188 HydrophobicContact CB-CZ3 4.41Å; I83-W188 HydrophobicContact CD1-CH2 4.19Å; I83-W188 HydrophobicContact CD1-CZ2 3.17Å; I83-W188 HydrophobicContact CG1-CH2 3.45Å; I83-W188 VanDerWaalsContact CG1-CH2 3.45Å; I83-W188 HydrophobicContact CG1-CZ2 2.92Å; I83-W188 HydrophobicContact CG2-CD2 4.12Å; I83-W188 VanDerWaalsContact CG2-CE2 3.45Å; I83-W188 HydrophobicContact CG2-CH2 4.1Å; I83-W188 HydrophobicContact CG2-CZ2 3.61Å; W136-W188 HydrophobicContact CH2-CB 3.65Å; W136-W188 AromaticContact CH2-CD2 3.44Å; W136-W188 HydrophobicContact CH2-CD2 3.44Å; W136-W188 VanDerWaalsContact CH2-CD2 3.44Å; W136-W188 AromaticContact CH2-CE3 3.34Å; W136-W188 HydrophobicContact CH2-CE3 3.34Å; W136-W188 AromaticContact CH2-CG 3.69Å; W136-W188 HydrophobicContact CH2-CG 3.69Å; W136-W188 HydrophobicContact CH2-CH2 4.41Å; W136-W188 HydrophobicContact CH2-CZ2 4.35Å; W136-W188 AromaticContact CH2-CZ3 3.92Å; W136-W188 HydrophobicContact CH2-CZ3 3.92Å; W136-W188 HydrophobicContact CZ3-CB 4.05Å; W136-W188 HydrophobicContact CZ3-CD2 4.04Å; W136-W188 AromaticContact CZ3-CE3 3.5Å; W136-W188 HydrophobicContact CZ3-CE3 3.5Å; W136-W188 VanDerWaalsContact CZ3-CE3 3.5Å; W136-W188 HydrophobicContact CZ3-CG 4.37Å; W136-W188 HydrophobicContact CZ3-CZ3 4.07Å; L179-W188 HydrophobicContact CD1-CE3 4.26Å; L179-W188 HydrophobicContact CD1-CZ3 4.24Å; W188-N190 PolarHBondContact O-N 2.85Å; W188-L191 HydrophobicContact CB-CD1 4.32Å; W188-L191 HydrophobicContact CG-CD1 4.1Å; W188-L191 WeakPolarHBondContact O-CB 3.39Å; W188-L191 PolarHBondContact O-N 3.03Å; W188-Y192 WeakPolarHBondContact O-CD1 2.99Å; W188-Y192 PolarHBondContact O-N 3.26Å | ||
| 189 | N | 66.5 | Low | 73.6 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -48.9 | -39.1 | 179.7 | -73.2 | -10.5 | 0 | 0 | 0 | 112.8 | T180 Y192 R193 L240 | T180-N189 VanDerWaalsContact CB-OD1 3.23Å; T180-N189 WeakPolarHBondContact CB-OD1 3.33Å; T180-N189 WeakPolarHBondContact CG2-OD1 3.47Å; T180-N189 PolarHBondContact O-ND2 2.82Å; N189-Y192 PolarHBondContact OD1-OH 3.48Å; N189-R193 VanDerWaalsContact O-CB 3.29Å; N189-R193 WeakPolarHBondContact O-CB 3.16Å; N189-R193 PolarHBondContact O-N 2.97Å; N189-R193 VanDerWaalsContact O-N 3.12Å; N189-L240 PolarHBondContact OD1-O 2.73Å |
| 190 | N | 66.1 | Low | 74.4 | Confident | 40 Ų | 40 | 32.6 Ų | 32.6 | 21% | 0.214 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.9 | -27.9 | 179 | -67.6 | -21.7 | 0 | 0 | 0 | 113.7 | T120 W188 | T120-N190 HydrophobicContact CG2-CB 3.66Å; T120-N190 WeakPolarHBondContact OG1-CB 3.38Å; T120-N190 PolarHBondContact OG1-ND2 3.06Å; W188-N190 PolarHBondContact O-N 2.85Å |
| 191 | L | 66.8 | Low | 75.4 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.7 | -38.6 | -176.9 | -65.6 | 169.6 | 0 | 0 | 0 | 111.9 | T120 L123 W136 W188 H194 | T120-L191 HydrophobicContact CG2-CD2 3.56Å; T120-L191 HydrophobicContact CG2-CG 4.09Å; L123-L191 HydrophobicContact CB-CD1 4.39Å; L123-L191 HydrophobicContact CB-CD2 4.01Å; L123-L191 HydrophobicContact CD1-CD1 3.88Å; W136-L191 HydrophobicContact CZ2-CB 4.37Å; W136-L191 HydrophobicContact CZ2-CD1 4.47Å; W188-L191 HydrophobicContact CB-CD1 4.32Å; W188-L191 HydrophobicContact CG-CD1 4.1Å; W188-L191 WeakPolarHBondContact O-CB 3.39Å; W188-L191 PolarHBondContact O-N 3.03Å; L191-H194 PolarHBondContact O-CE1 2.93Å; L191-H194 PolarHBondContact O-ND1 3.4Å |
| 192 | Y | 77.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -108.3 | 1.4 | -178.2 | 77.5 | -84.8 | 0 | 0 | 0 | 114.2 | W136 Y139 L140 W188 N189 H194 L195 C196 L240 | W136-Y192 HydrophobicContact CD2-CD1 4.5Å; W136-Y192 HydrophobicContact CD2-CG 4.36Å; W136-Y192 HydrophobicContact CE3-CD1 4.03Å; W136-Y192 HydrophobicContact CE3-CG 4.2Å; W136-Y192 HydrophobicContact CZ3-CD1 4.11Å; Y139-Y192 HydrophobicContact CE1-CE2 4.48Å; L140-Y192 HydrophobicContact CD1-CD2 4.46Å; L140-Y192 HydrophobicContact CD2-CD2 4.24Å; L140-Y192 HydrophobicContact CD2-CE2 3.91Å; L140-Y192 HydrophobicContact CG-CD2 4.47Å; W188-Y192 WeakPolarHBondContact O-CD1 2.99Å; W188-Y192 PolarHBondContact O-N 3.26Å; N189-Y192 PolarHBondContact OD1-OH 3.48Å; Y192-H194 VanDerWaalsContact C-N 3.26Å; Y192-H194 PolarHBondContact O-N 3.37Å; Y192-L195 WeakPolarHBondContact O-CA 3.26Å; Y192-L195 WeakPolarHBondContact O-CB 3.37Å; Y192-L195 PolarHBondContact O-N 3.24Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.46Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.33Å; Y192-C196 PolarHBondContact O-N 3.36Å; Y192-C196 PolarHBondContact O-SG 3.49Å; Y192-C196 VanDerWaalsContact O-SG 3.35Å; Y192-L240 PolarHBondContact OH-O 3.31Å |
| 193 | R | 78.3 | Confident | 78 | Confident | 72 Ų | 72 | 32.1 Ų | 32.1 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -47.9 | -46.8 | 177.8 | -174.2 | 179.3 | -169 | -85.1 | 4.8 | 113.2 | N189 L195 C196 F241 D246 E249 | N189-R193 VanDerWaalsContact O-CB 3.29Å; N189-R193 WeakPolarHBondContact O-CB 3.16Å; N189-R193 PolarHBondContact O-N 2.97Å; N189-R193 VanDerWaalsContact O-N 3.12Å; R193-L195 PolarHBondContact O-N 2.97Å; R193-C196 WeakPolarHBondContact O-CB 3.33Å; R193-C196 PolarHBondContact O-N 3.42Å; R193-F241 HydrophobicContact CB-CE1 4.34Å; R193-F241 HydrophobicContact CG-CE1 4.01Å; R193-F241 HydrophobicContact CG-CZ 4.39Å; R193-D246 IonicContact CZ-OD1 3.91Å; R193-D246 VanDerWaalsContact CZ-OD1 3.28Å; R193-D246 IonicContact NE-OD1 3.71Å; R193-D246 PolarHBondContact NE-OD1 2.81Å; R193-D246 IonicContact NH2-OD1 3.57Å; R193-D246 PolarHBondContact NH2-OD1 3.33Å; R193-E249 IonicContact CZ-OE2 3.23Å; R193-E249 IonicContact NH1-OE2 2.71Å; R193-E249 PolarHBondContact NH1-OE2 3.41Å; R193-E249 VanDerWaalsContact NH2-CD 3.3Å; R193-E249 IonicContact NH2-OE1 2.85Å; R193-E249 IonicContact NH2-OE2 3.15Å; R193-E249 PolarHBondContact NH2-OE2 2.91Å |
| 194 | H | 80.7 | Confident | 79.4 | Confident | 108 Ų | 108 | 27.1 Ų | 27.1 | 50% | 0.5 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.2 | -18.8 | -178.5 | 70.3 | -85 | 0 | 0 | 0 | 113.1 | L191 Y192 P198 | L191-H194 PolarHBondContact O-CE1 2.93Å; L191-H194 PolarHBondContact O-ND1 3.4Å; Y192-H194 VanDerWaalsContact C-N 3.26Å; Y192-H194 PolarHBondContact O-N 3.37Å; H194-P198 VanDerWaalsContact O-CD 3.26Å; H194-P198 WeakPolarHBondContact O-CD 3.46Å; H194-P198 WeakPolarHBondContact O-CG 2.92Å |
| 195 | L | 83.1 | Confident | 80.6 | Confident | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -87 | -23.9 | 176.9 | -57.7 | 173.8 | 0 | 0 | 0 | 112.4 | Q133 W136 Y192 R193 P198 Y199 | Q133-L195 HydrophobicContact CG-CD1 4.2Å; Q133-L195 HydrophobicContact CG-CD2 4.39Å; W136-L195 HydrophobicContact CB-CD1 4.17Å; W136-L195 HydrophobicContact CG-CD1 4.3Å; Y192-L195 WeakPolarHBondContact O-CA 3.26Å; Y192-L195 WeakPolarHBondContact O-CB 3.37Å; Y192-L195 PolarHBondContact O-N 3.24Å; R193-L195 PolarHBondContact O-N 2.97Å; L195-P198 WeakPolarHBondContact O-CD 3.37Å; L195-Y199 WeakPolarHBondContact O-CB 3.36Å; L195-Y199 PolarHBondContact O-N 2.87Å |
| 196 | C | 86.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -51.2 | -172.8 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | Y192 R193 Y199 I200 F241 | Y192-C196 WeakPolarHBondContact CD2-SG 3.46Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.33Å; Y192-C196 PolarHBondContact O-N 3.36Å; Y192-C196 PolarHBondContact O-SG 3.49Å; Y192-C196 VanDerWaalsContact O-SG 3.35Å; R193-C196 WeakPolarHBondContact O-CB 3.33Å; R193-C196 PolarHBondContact O-N 3.42Å; C196-Y199 PolarHBondContact O-N 2.86Å; C196-I200 WeakPolarHBondContact O-CB 3.36Å; C196-I200 VanDerWaalsContact O-CG1 3.23Å; C196-I200 WeakPolarHBondContact O-CG1 3.4Å; C196-I200 PolarHBondContact O-N 2.58Å; C196-F241 HydrophobicContact CB-CE2 4.34Å; C196-F241 HydrophobicContact CB-CZ 4.04Å |
| 197 | A | 87.4 | Confident | 83.1 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I200 K201 E253 | A197-I200 PolarHBondContact O-N 3.31Å; A197-K201 VanDerWaalsContact O-CG 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 2.78Å; A197-K201 VanDerWaalsContact O-N 3.11Å; A197-E253 VanDerWaalsContact CB-OE2 3.3Å; A197-E253 WeakPolarHBondContact CB-OE2 3.49Å |
| 198 | P | 89.6 | Confident | 84.3 | Confident | 71 Ų | 71 | 30.7 Ų | 30.7 | 46% | 0.461 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.4 | -46 | 170.2 | -25.5 | 34.5 | 0 | 0 | 0 | 112.8 | H194 L195 I200 K201 E202 | H194-P198 VanDerWaalsContact O-CD 3.26Å; H194-P198 WeakPolarHBondContact O-CD 3.46Å; H194-P198 WeakPolarHBondContact O-CG 2.92Å; L195-P198 WeakPolarHBondContact O-CD 3.37Å; P198-I200 PolarHBondContact O-N 2.95Å; P198-K201 PolarHBondContact O-N 2.99Å; P198-E202 WeakPolarHBondContact O-CG 3.35Å; P198-E202 PolarHBondContact O-N 3.36Å |
| 199 | Y | 90.9 | Very high | 85.3 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 179.2 | 178.7 | -92 | 0 | 0 | 0 | 112 | L62 Y63 H137 L140 C141 L144 L195 C196 K201 E202 A203 | L62-Y199 PolarHBondContact O-OH 3.22Å; Y63-Y199 HydrophobicContact CD1-CD2 4.02Å; Y63-Y199 AromaticContact CD1-CE2 3.58Å; Y63-Y199 HydrophobicContact CD1-CE2 3.58Å; Y63-Y199 AromaticContact CE1-CD2 3.56Å; Y63-Y199 HydrophobicContact CE1-CD2 3.56Å; Y63-Y199 AromaticContact CE1-CE2 3.56Å; Y63-Y199 HydrophobicContact CE1-CE2 3.56Å; Y63-Y199 HydrophobicContact CE1-CG 4.44Å; H137-Y199 HydrophobicContact CB-CD2 4.3Å; H137-Y199 HydrophobicContact CB-CE2 4.12Å; H137-Y199 AromaticContact CD2-CD2 3.39Å; H137-Y199 WeakPolarHBondContact CD2-CD2 3.3Å; H137-Y199 AromaticContact CD2-CE2 3.86Å; H137-Y199 AromaticContact CG-CD2 3.9Å; H137-Y199 AromaticContact NE2-CD2 3.94Å; L140-Y199 HydrophobicContact CB-CD1 3.6Å; L140-Y199 HydrophobicContact CB-CD2 4.44Å; L140-Y199 HydrophobicContact CB-CE1 3.51Å; L140-Y199 HydrophobicContact CB-CE2 4.36Å; L140-Y199 HydrophobicContact CB-CG 4.1Å; L140-Y199 HydrophobicContact CD1-CD1 3.85Å; L140-Y199 HydrophobicContact CD1-CD2 4.27Å; L140-Y199 HydrophobicContact CD1-CG 3.68Å; L140-Y199 HydrophobicContact CG-CD1 4.26Å; C141-Y199 WeakPolarHBondContact CA-OH 3.5Å; C141-Y199 VanDerWaalsContact CB-OH 3.23Å; C141-Y199 WeakPolarHBondContact CB-OH 3.41Å; C141-Y199 PolarHBondContact N-OH 2.99Å; L144-Y199 HydrophobicContact CD2-CE1 4.45Å; L195-Y199 WeakPolarHBondContact O-CB 3.36Å; L195-Y199 PolarHBondContact O-N 2.87Å; C196-Y199 PolarHBondContact O-N 2.86Å; Y199-K201 VanDerWaalsContact C-N 3.3Å; Y199-K201 PolarHBondContact O-N 2.78Å; Y199-E202 PolarHBondContact O-N 2.83Å; Y199-A203 HydrophobicContact CE1-CB 4.15Å; Y199-A203 VanDerWaalsContact O-CB 3.22Å; Y199-A203 WeakPolarHBondContact O-CB 3.37Å; Y199-A203 PolarHBondContact O-N 3.43Å |
| 200 | I | 91.7 | Very high | 86.4 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 179.3 | -68.1 | 165.7 | 0 | 0 | 0 | 110.8 | C196 A197 P198 L204 L232 L236 I237 L254 | C196-I200 WeakPolarHBondContact O-CB 3.36Å; C196-I200 VanDerWaalsContact O-CG1 3.23Å; C196-I200 WeakPolarHBondContact O-CG1 3.4Å; C196-I200 PolarHBondContact O-N 2.58Å; A197-I200 PolarHBondContact O-N 3.31Å; P198-I200 PolarHBondContact O-N 2.95Å; I200-L204 VanDerWaalsContact O-CB 3.28Å; I200-L204 WeakPolarHBondContact O-CB 3.43Å; I200-L204 PolarHBondContact O-N 3.17Å; I200-L232 HydrophobicContact CG2-CD1 3.86Å; I200-L232 HydrophobicContact CG2-CD2 4.42Å; I200-L236 HydrophobicContact CD1-CD2 4.16Å; I200-L236 HydrophobicContact CG1-CD2 4.13Å; I200-I237 HydrophobicContact CD1-CG1 4.49Å; I200-L254 HydrophobicContact CG2-CD1 3.88Å; I200-L254 HydrophobicContact CG2-CD2 4.39Å |
| 201 | K | 90.9 | Very high | 87.5 | Confident | 63 Ų | 63 | 37.4 Ų | 37.4 | 27% | 0.274 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.5 | -69.4 | 170.2 | -162.2 | 173.9 | 0 | 111.3 | A197 P198 Y199 L204 S205 E253 I258 | A197-K201 VanDerWaalsContact O-CG 3.26Å; A197-K201 WeakPolarHBondContact O-CG 3.37Å; A197-K201 PolarHBondContact O-N 2.78Å; A197-K201 VanDerWaalsContact O-N 3.11Å; P198-K201 PolarHBondContact O-N 2.99Å; Y199-K201 VanDerWaalsContact C-N 3.3Å; Y199-K201 PolarHBondContact O-N 2.78Å; K201-L204 PolarHBondContact O-N 3.28Å; K201-S205 WeakPolarHBondContact O-CB 3.15Å; K201-S205 PolarHBondContact O-N 3.22Å; K201-E253 IonicContact NZ-OE2 3.39Å; K201-E253 PolarHBondContact NZ-OE2 3.47Å; K201-I258 HydrophobicContact CD-CD1 3.93Å; K201-I258 VanDerWaalsContact CE-CD1 3.47Å; K201-I258 HydrophobicContact CG-CD1 4.17Å; K201-I258 HydrophobicContact CG-CG2 4.3Å |
| 202 | E | 91.1 | Very high | 88.4 | Confident | 103 Ų | 103 | 36.5 Ų | 36.5 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.1 | -70.5 | -60.9 | 157.6 | 0 | 0 | 112.2 | Y63 P198 Y199 L204 S205 Y206 | Y63-E202 HydrophobicContact CD1-CB 4.29Å; Y63-E202 HydrophobicContact CE1-CB 3.64Å; Y63-E202 HydrophobicContact CE2-CB 4.44Å; P198-E202 WeakPolarHBondContact O-CG 3.35Å; P198-E202 PolarHBondContact O-N 3.36Å; Y199-E202 PolarHBondContact O-N 2.83Å; E202-L204 PolarHBondContact O-N 3.04Å; E202-S205 WeakPolarHBondContact O-CB 3.4Å; E202-S205 PolarHBondContact O-N 3.21Å; E202-Y206 WeakPolarHBondContact O-CB 3.3Å; E202-Y206 PolarHBondContact O-N 2.94Å |
| 203 | A | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y63 L144 Y199 R207 | Y63-A203 HydrophobicContact CD1-CB 4.03Å; L144-A203 HydrophobicContact CD2-CB 3.81Å; Y199-A203 HydrophobicContact CE1-CB 4.15Å; Y199-A203 VanDerWaalsContact O-CB 3.22Å; Y199-A203 WeakPolarHBondContact O-CB 3.37Å; Y199-A203 PolarHBondContact O-N 3.43Å; A203-R207 WeakPolarHBondContact O-CB 3.31Å; A203-R207 WeakPolarHBondContact O-CG 3.35Å; A203-R207 PolarHBondContact O-N 3.1Å |
| 204 | L | 92.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 173.7 | -178.9 | 65.5 | 0 | 0 | 0 | 111.1 | F157 I200 K201 E202 R207 T208 I224 Y227 V259 | F157-L204 HydrophobicContact CE2-CD1 4.39Å; F157-L204 HydrophobicContact CZ-CD1 4.41Å; I200-L204 VanDerWaalsContact O-CB 3.28Å; I200-L204 WeakPolarHBondContact O-CB 3.43Å; I200-L204 PolarHBondContact O-N 3.17Å; K201-L204 PolarHBondContact O-N 3.28Å; E202-L204 PolarHBondContact O-N 3.04Å; L204-R207 PolarHBondContact O-N 3.34Å; L204-T208 VanDerWaalsContact O-CB 3.28Å; L204-T208 WeakPolarHBondContact O-CB 3.44Å; L204-T208 PolarHBondContact O-N 2.69Å; L204-T208 PolarHBondContact O-OG1 2.77Å; L204-I224 HydrophobicContact CD1-CG2 3.98Å; L204-Y227 HydrophobicContact CD1-CD1 4.06Å; L204-Y227 HydrophobicContact CD1-CE1 4Å; L204-V259 HydrophobicContact CD2-CG2 4.32Å |
| 205 | S | 92.3 | Very high | 88.7 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | K201 E202 T208 K209 T262 | K201-S205 WeakPolarHBondContact O-CB 3.15Å; K201-S205 PolarHBondContact O-N 3.22Å; E202-S205 WeakPolarHBondContact O-CB 3.4Å; E202-S205 PolarHBondContact O-N 3.21Å; S205-T208 PolarHBondContact O-N 2.99Å; S205-K209 WeakPolarHBondContact O-CB 3.37Å; S205-K209 PolarHBondContact O-N 2.91Å; S205-T262 VanDerWaalsContact CA-CG2 3.43Å |
| 206 | Y | 92.5 | Very high | 88.8 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 24% | 0.239 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 177.8 | -179.4 | -103.6 | 0 | 0 | 0 | 112.4 | N61 H64 E202 T208 K209 L210 | N61-Y206 WeakPolarHBondContact ND2-CE2 3.46Å; N61-Y206 PolarHBondContact ND2-OH 3.3Å; N61-Y206 VanDerWaalsContact ND2-OH 3.16Å; H64-Y206 HydrophobicContact CB-CE1 3.94Å; H64-Y206 AromaticContact CD2-CE1 3.92Å; H64-Y206 PolarHBondContact CD2-OH 3.06Å; E202-Y206 WeakPolarHBondContact O-CB 3.3Å; E202-Y206 PolarHBondContact O-N 2.94Å; Y206-T208 PolarHBondContact O-N 3.27Å; Y206-K209 WeakPolarHBondContact O-CB 3.32Å; Y206-K209 PolarHBondContact O-N 2.98Å; Y206-L210 PolarHBondContact O-N 3.03Å |
| 207 | R | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.5 | -78.3 | 170.5 | 168.9 | 65.8 | 1.5 | 112.3 | Y63 L144 E148 F157 I161 A203 L204 K209 L210 L211 | Y63-R207 PolarHBondContact O-NH1 3.46Å; L144-R207 VanDerWaalsContact CD2-NH1 3.29Å; E148-R207 WeakPolarHBondContact OE1-CD 3.22Å; E148-R207 IonicContact OE1-CZ 2.67Å; E148-R207 IonicContact OE1-NE 3Å; E148-R207 PolarHBondContact OE1-NE 3.44Å; E148-R207 IonicContact OE1-NH2 2.74Å; E148-R207 IonicContact OE2-CZ 3.69Å; E148-R207 IonicContact OE2-NE 2.95Å; E148-R207 PolarHBondContact OE2-NE 2.86Å; E148-R207 IonicContact OE2-NH2 3.83Å; E148-R207 PolarHBondContact OE2-NH2 3.19Å; F157-R207 HydrophobicContact CD1-CB 3.78Å; F157-R207 HydrophobicContact CD2-CB 3.99Å; F157-R207 HydrophobicContact CD2-CG 4.36Å; F157-R207 VanDerWaalsContact CE1-C 3.46Å; F157-R207 HydrophobicContact CE1-CB 3.74Å; F157-R207 WeakPolarHBondContact CE1-O 3.48Å; F157-R207 HydrophobicContact CE2-CB 3.94Å; F157-R207 HydrophobicContact CG-CB 3.91Å; F157-R207 HydrophobicContact CG-CG 4.31Å; F157-R207 HydrophobicContact CZ-CB 3.81Å; I161-R207 HydrophobicContact CD1-CG 3.96Å; A203-R207 WeakPolarHBondContact O-CB 3.31Å; A203-R207 WeakPolarHBondContact O-CG 3.35Å; A203-R207 PolarHBondContact O-N 3.1Å; L204-R207 PolarHBondContact O-N 3.34Å; R207-K209 VanDerWaalsContact C-N 3.34Å; R207-K209 PolarHBondContact O-N 3.21Å; R207-L210 PolarHBondContact O-N 3.49Å; R207-L211 PolarHBondContact O-N 3.22Å |
| 208 | T | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | L204 S205 Y206 L210 L211 C212 I224 F263 V266 | L204-T208 VanDerWaalsContact O-CB 3.28Å; L204-T208 WeakPolarHBondContact O-CB 3.44Å; L204-T208 PolarHBondContact O-N 2.69Å; L204-T208 PolarHBondContact O-OG1 2.77Å; S205-T208 PolarHBondContact O-N 2.99Å; Y206-T208 PolarHBondContact O-N 3.27Å; T208-L210 VanDerWaalsContact C-N 3.33Å; T208-L210 PolarHBondContact O-N 3.07Å; T208-L211 PolarHBondContact O-N 3.32Å; T208-C212 WeakPolarHBondContact O-CB 3.47Å; T208-C212 PolarHBondContact O-N 3.38Å; T208-C212 PolarHBondContact O-SG 2.73Å; T208-I224 HydrophobicContact CG2-CD1 3.82Å; T208-F263 HydrophobicContact CG2-CD2 4.23Å; T208-V266 HydrophobicContact CG2-CG2 4.19Å |
| 209 | K | 91.5 | Very high | 88.8 | Confident | 136 Ų | 136 | 51.8 Ų | 51.8 | 59% | 0.591 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 176.6 | -173.5 | 176.6 | 179.7 | 177.9 | 0 | 112.3 | S205 Y206 R207 L211 S213 V266 | S205-K209 WeakPolarHBondContact O-CB 3.37Å; S205-K209 PolarHBondContact O-N 2.91Å; Y206-K209 WeakPolarHBondContact O-CB 3.32Å; Y206-K209 PolarHBondContact O-N 2.98Å; R207-K209 VanDerWaalsContact C-N 3.34Å; R207-K209 PolarHBondContact O-N 3.21Å; K209-L211 VanDerWaalsContact C-N 3.31Å; K209-S213 VanDerWaalsContact O-CB 3.31Å; K209-S213 WeakPolarHBondContact O-CB 3.39Å; K209-S213 PolarHBondContact O-N 2.8Å; K209-S213 PolarHBondContact O-OG 3.08Å; K209-V266 HydrophobicContact CB-CG1 4.25Å; K209-V266 HydrophobicContact CB-CG2 4.06Å; K209-V266 HydrophobicContact CG-CG1 4.43Å |
| 210 | L | 89.4 | Confident | 88.8 | Confident | 58 Ų | 58 | 52 Ų | 52 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.6 | -31.1 | 179.9 | -160 | 67.6 | 0 | 0 | 0 | 112.3 | I160 I161 Y206 R207 T208 S213 | I160-L210 HydrophobicContact CG2-CB 4.27Å; I160-L210 HydrophobicContact CG2-CD2 3.24Å; I160-L210 HydrophobicContact CG2-CG 3.46Å; I160-L210 VanDerWaalsContact CG2-CG 3.46Å; I161-L210 HydrophobicContact CD1-CD2 4.05Å; I161-L210 HydrophobicContact CG1-CD2 3.93Å; Y206-L210 PolarHBondContact O-N 3.03Å; R207-L210 PolarHBondContact O-N 3.49Å; T208-L210 VanDerWaalsContact C-N 3.33Å; T208-L210 PolarHBondContact O-N 3.07Å; L210-S213 PolarHBondContact O-OG 3.35Å |
| 211 | L | 89.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.9 | -42.4 | 175.3 | -178.2 | 65.4 | 0 | 0 | 0 | 113.4 | I156 F157 I160 R207 T208 K209 F220 | I156-L211 HydrophobicContact CD1-CD2 4.23Å; I156-L211 HydrophobicContact CG1-CD2 4Å; I156-L211 HydrophobicContact CG2-CD2 4.13Å; F157-L211 HydrophobicContact CD1-CB 4.02Å; F157-L211 HydrophobicContact CD1-CD2 3.93Å; F157-L211 HydrophobicContact CD1-CG 4.5Å; F157-L211 HydrophobicContact CE1-CB 3.92Å; F157-L211 HydrophobicContact CE1-CD2 3.6Å; F157-L211 HydrophobicContact CE1-CG 4.4Å; I160-L211 HydrophobicContact CD1-CB 3.79Å; I160-L211 HydrophobicContact CD1-CD1 3.43Å; I160-L211 VanDerWaalsContact CD1-CD1 3.43Å; I160-L211 HydrophobicContact CD1-CG 4.21Å; I160-L211 HydrophobicContact CG1-CD1 4.49Å; R207-L211 PolarHBondContact O-N 3.22Å; T208-L211 PolarHBondContact O-N 3.32Å; K209-L211 VanDerWaalsContact C-N 3.31Å; L211-F220 HydrophobicContact CD1-CD1 4.12Å; L211-F220 HydrophobicContact CD1-CE1 3.83Å; L211-F220 HydrophobicContact CD1-CZ 4.25Å; L211-F220 HydrophobicContact CD2-CB 4.16Å; L211-F220 HydrophobicContact CD2-CD1 3.73Å; L211-F220 HydrophobicContact CD2-CE1 4.3Å; L211-F220 HydrophobicContact CD2-CG 3.96Å; L211-F220 HydrophobicContact CG-CD1 3.94Å; L211-F220 HydrophobicContact CG-CD2 4.49Å; L211-F220 HydrophobicContact CG-CE1 4.06Å; L211-F220 HydrophobicContact CG-CG 4.16Å; L211-F220 HydrophobicContact CG-CZ 4.37Å |
| 212 | C | 86.4 | Confident | 88.8 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -89 | -14.8 | -174.3 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | T208 E214 N215 V266 H267 | T208-C212 WeakPolarHBondContact O-CB 3.47Å; T208-C212 PolarHBondContact O-N 3.38Å; T208-C212 PolarHBondContact O-SG 2.73Å; C212-E214 PolarHBondContact O-N 3.24Å; C212-N215 PolarHBondContact O-N 2.87Å; C212-V266 HydrophobicContact CB-CG1 3.94Å; C212-H267 VanDerWaalsContact SG-CE1 3.56Å |
| 213 | S | 82.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 121 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | K209 L210 N215 | K209-S213 VanDerWaalsContact O-CB 3.31Å; K209-S213 WeakPolarHBondContact O-CB 3.39Å; K209-S213 PolarHBondContact O-N 2.8Å; K209-S213 PolarHBondContact O-OG 3.08Å; L210-S213 PolarHBondContact O-OG 3.35Å; S213-N215 PolarHBondContact O-N 3.46Å |
| 214 | E | 75.3 | Confident | 88.9 | Confident | 184 Ų | 184 | 49.9 Ų | 49.9 | 86% | 0.86 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 11.1 | 177.4 | -53.1 | -176.7 | 171.2 | 0 | 0 | 115.7 | C212 | C212-E214 PolarHBondContact O-N 3.24Š|
| 215 | N | 84.7 | Confident | 88.9 | Confident | 51 Ų | 51 | 51 Ų | 51 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -127.5 | 105.7 | 176.3 | -170.8 | -4.1 | 0 | 0 | 0 | 111.7 | C212 S213 T217 | C212-N215 PolarHBondContact O-N 2.87Å; S213-N215 PolarHBondContact O-N 3.46Å; N215-T217 PolarHBondContact OD1-N 2.85Å; N215-T217 PolarHBondContact OD1-OG1 2.96Å; N215-T217 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 216 | Y | 86 | Confident | 88.9 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | trans | -113.6 | -0.6 | -179.7 | -44.4 | -64.8 | 0 | 0 | 0 | 114.2 | L274 E277 A284 | Y216-L274 HydrophobicContact CD1-CD1 4.03Å; Y216-L274 HydrophobicContact CD1-CG 4.08Å; Y216-L274 HydrophobicContact CE1-CD1 4.34Å; Y216-L274 HydrophobicContact CE1-CG 4.49Å; Y216-L274 HydrophobicContact CG-CG 4.45Å; Y216-E277 WeakPolarHBondContact CD2-OE2 3.28Å; Y216-E277 WeakPolarHBondContact CE2-OE1 3.48Å; Y216-E277 WeakPolarHBondContact CE2-OE2 3.27Å; Y216-A284 WeakPolarHBondContact O-CB 3.3Å; Y216-A284 PolarHBondContact O-N 3.22Å | ||
| 217 | T | 86.1 | Confident | 88.9 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 53% | 0.534 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.8 | -19.1 | -171.2 | 60 | 0 | 0 | 0 | 0 | 113.4 | N215 D280 A283 | N215-T217 PolarHBondContact OD1-N 2.85Å; N215-T217 PolarHBondContact OD1-OG1 2.96Å; N215-T217 VanDerWaalsContact OD1-OG1 3.11Å; T217-D280 WeakPolarHBondContact CA-O 3.39Å; T217-D280 HydrophobicContact CG2-CB 4.37Å; T217-A283 WeakPolarHBondContact O-CB 3.18Å |
| 218 | E | 87.6 | Confident | 89 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -112.5 | 161.5 | -175.8 | -65.6 | -175.1 | 179.3 | 0 | 0 | 112.9 | F220 A283 | E218-F220 HydrophobicContact CB-CE1 3.88Å; E218-F220 HydrophobicContact CB-CE2 4.13Å; E218-F220 HydrophobicContact CB-CZ 3.63Å; E218-F220 WeakPolarHBondContact OE2-CE1 3.3Å; E218-A283 VanDerWaalsContact C-CB 3.48Å |
| 219 | R | 88.4 | Confident | 89 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | trans | -96.4 | 120 | 174.2 | -60.6 | -169.1 | 74.5 | 140.7 | 8.3 | 109.8 | A283 M286 D287 | R219-A283 HydrophobicContact CG-CB 3.71Å; R219-M286 PolarHBondContact NH1-SD 3.06Å; R219-M286 VanDerWaalsContact NH1-SD 3.41Å; R219-D287 WeakPolarHBondContact CA-OD2 3.23Å; R219-D287 IonicContact CZ-OD1 2.75Å; R219-D287 VanDerWaalsContact CZ-OD1 3.24Å; R219-D287 IonicContact NE-OD1 2.65Å; R219-D287 PolarHBondContact NE-OD1 3.46Å; R219-D287 IonicContact NH2-OD1 3.77Å; R219-D287 PolarHBondContact NH2-OD1 3.47Å | ||
| 220 | F | 91.3 | Very high | 89 | Confident | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -109.5 | -22.8 | -176.5 | -61.9 | -58.6 | 0 | 0 | 0 | 113.3 | I156 L211 E218 D222 S223 I224 F263 D287 | I156-F220 HydrophobicContact CD1-CD1 3.81Å; I156-F220 HydrophobicContact CD1-CE1 4.49Å; L211-F220 HydrophobicContact CD1-CD1 4.12Å; L211-F220 HydrophobicContact CD1-CE1 3.83Å; L211-F220 HydrophobicContact CD1-CZ 4.25Å; L211-F220 HydrophobicContact CD2-CB 4.16Å; L211-F220 HydrophobicContact CD2-CD1 3.73Å; L211-F220 HydrophobicContact CD2-CE1 4.3Å; L211-F220 HydrophobicContact CD2-CG 3.96Å; L211-F220 HydrophobicContact CG-CD1 3.94Å; L211-F220 HydrophobicContact CG-CD2 4.49Å; L211-F220 HydrophobicContact CG-CE1 4.06Å; L211-F220 HydrophobicContact CG-CG 4.16Å; L211-F220 HydrophobicContact CG-CZ 4.37Å; E218-F220 HydrophobicContact CB-CE1 3.88Å; E218-F220 HydrophobicContact CB-CE2 4.13Å; E218-F220 HydrophobicContact CB-CZ 3.63Å; E218-F220 WeakPolarHBondContact OE2-CE1 3.3Å; F220-D222 PolarHBondContact O-N 3.01Å; F220-S223 WeakPolarHBondContact O-CB 3.19Å; F220-S223 PolarHBondContact O-N 3.06Å; F220-I224 HydrophobicContact CB-CD1 4.01Å; F220-I224 VanDerWaalsContact O-CG1 3.27Å; F220-I224 WeakPolarHBondContact O-CG1 3.3Å; F220-I224 PolarHBondContact O-N 3.32Å; F220-F263 HydrophobicContact CB-CE2 4.27Å; F220-D287 PolarHBondContact N-OD2 3.43Å | ||
| 221 | L | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | -166.6 | -175.6 | 61.8 | 0 | 0 | 0 | 113.5 | S223 I224 I225 V259 Y260 F263 D287 K290 | L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-I224 PolarHBondContact O-N 3.43Å; L221-I225 HydrophobicContact CG-CD1 4.38Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 3.26Å; L221-V259 HydrophobicContact CD1-CG1 4.03Å; L221-Y260 HydrophobicContact CD1-CD1 3.82Å; L221-Y260 HydrophobicContact CD1-CE1 4.06Å; L221-Y260 HydrophobicContact CD2-CD1 3.88Å; L221-Y260 HydrophobicContact CD2-CE1 3.7Å; L221-Y260 HydrophobicContact CG-CD1 4.24Å; L221-Y260 HydrophobicContact CG-CE1 4.05Å; L221-F263 HydrophobicContact CD1-CB 4.12Å; L221-F263 HydrophobicContact CD1-CD1 4.49Å; L221-F263 HydrophobicContact CD1-CD2 4.3Å; L221-F263 HydrophobicContact CD1-CG 4.05Å; L221-D287 HydrophobicContact CB-CB 3.84Å; L221-D287 VanDerWaalsContact CB-CG 3.46Å; L221-D287 VanDerWaalsContact CB-OD2 3.32Å; L221-D287 WeakPolarHBondContact CB-OD2 3.22Å; L221-D287 HydrophobicContact CD2-CB 4.11Å; L221-D287 WeakPolarHBondContact CD2-O 3.37Å; L221-D287 PolarHBondContact N-OD2 2.8Å; L221-K290 HydrophobicContact CD2-CB 3.71Å; L221-K290 HydrophobicContact CD2-CD 3.95Å |
| 222 | D | 91.2 | Very high | 89.3 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -34.8 | -179.4 | -64 | -25.2 | 0 | 0 | 0 | 111.3 | F220 I225 K226 K290 | F220-D222 PolarHBondContact O-N 3.01Å; D222-I225 PolarHBondContact O-N 3.31Å; D222-K226 PolarHBondContact O-N 3.22Å; D222-K290 IonicContact OD1-NZ 3.66Å; D222-K290 PolarHBondContact OD1-NZ 3.32Å; D222-K290 IonicContact OD2-NZ 2.79Å; D222-K290 PolarHBondContact OD2-NZ 3.12Å |
| 223 | S | 90.8 | Very high | 89.4 | Confident | 45 Ų | 45 | 48 Ų | 48 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70 | -36.6 | 176.3 | -61 | 0 | 0 | 0 | 0 | 112.3 | F220 L221 K226 Y227 | F220-S223 WeakPolarHBondContact O-CB 3.19Å; F220-S223 PolarHBondContact O-N 3.06Å; L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.15Å; S223-K226 WeakPolarHBondContact O-CB 3.34Å; S223-K226 PolarHBondContact O-N 3.27Å; S223-Y227 WeakPolarHBondContact O-CB 3.31Å; S223-Y227 PolarHBondContact O-N 2.64Å |
| 224 | I | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -38 | 173.4 | -62.9 | 162.2 | 0 | 0 | 0 | 110.4 | I156 F157 L204 T208 F220 L221 K226 Y227 K228 V259 F263 | I156-I224 HydrophobicContact CG2-CG1 4.42Å; F157-I224 HydrophobicContact CZ-CG1 4.16Å; L204-I224 HydrophobicContact CD1-CG2 3.98Å; T208-I224 HydrophobicContact CG2-CD1 3.82Å; F220-I224 HydrophobicContact CB-CD1 4.01Å; F220-I224 VanDerWaalsContact O-CG1 3.27Å; F220-I224 WeakPolarHBondContact O-CG1 3.3Å; F220-I224 PolarHBondContact O-N 3.32Å; L221-I224 PolarHBondContact O-N 3.43Å; I224-K226 VanDerWaalsContact C-N 3.34Å; I224-K226 PolarHBondContact O-N 3.42Å; I224-Y227 WeakPolarHBondContact O-CB 3.34Å; I224-Y227 PolarHBondContact O-N 2.99Å; I224-K228 PolarHBondContact O-N 3.26Å; I224-V259 HydrophobicContact CB-CG1 4.1Å; I224-V259 HydrophobicContact CG2-CG1 3.56Å; I224-F263 HydrophobicContact CD1-CD2 4Å; I224-F263 HydrophobicContact CD1-CE2 4.37Å |
| 225 | I | 92.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.6 | -66.2 | 168.2 | 0 | 0 | 0 | 110.4 | L221 D222 K228 N229 V259 Y260 | L221-I225 HydrophobicContact CG-CD1 4.38Å; L221-I225 WeakPolarHBondContact O-CG1 3.42Å; L221-I225 PolarHBondContact O-N 3.26Å; D222-I225 PolarHBondContact O-N 3.31Å; I225-K228 PolarHBondContact O-N 2.96Å; I225-N229 PolarHBondContact O-N 3.15Å; I225-N229 PolarHBondContact O-ND2 3.15Å; I225-V259 HydrophobicContact CG1-CB 4.31Å; I225-V259 HydrophobicContact CG1-CG1 3.9Å; I225-Y260 HydrophobicContact CD1-CE1 4.03Å |
| 226 | K | 92.2 | Very high | 90.7 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 45% | 0.452 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 173.8 | -172.6 | -172.3 | 177.7 | -165.2 | 0 | 111.1 | E153 D222 S223 I224 K228 N229 C230 | E153-K226 PolarHBondContact O-NZ 3.45Å; D222-K226 PolarHBondContact O-N 3.22Å; S223-K226 WeakPolarHBondContact O-CB 3.34Å; S223-K226 PolarHBondContact O-N 3.27Å; I224-K226 VanDerWaalsContact C-N 3.34Å; I224-K226 PolarHBondContact O-N 3.42Å; K226-K228 PolarHBondContact O-N 3.46Å; K226-N229 PolarHBondContact O-N 3.02Å; K226-C230 WeakPolarHBondContact O-CB 3.47Å; K226-C230 PolarHBondContact O-N 3.09Å |
| 227 | Y | 93.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.6 | -49.4 | 175.8 | 169.7 | -91.9 | 0 | 0 | 0 | 111.5 | E148 N155 F157 L204 S223 I224 N229 C230 V231 L232 | E148-Y227 HydrophobicContact CG-CE2 4.05Å; E148-Y227 WeakPolarHBondContact OE1-CE2 3.35Å; E148-Y227 PolarHBondContact OE1-OH 3.04Å; N155-Y227 WeakPolarHBondContact OD1-CE2 3.47Å; F157-Y227 HydrophobicContact CD2-CD1 4.31Å; F157-Y227 AromaticContact CD2-CD2 3.86Å; F157-Y227 HydrophobicContact CD2-CD2 3.86Å; F157-Y227 HydrophobicContact CD2-CE1 4.16Å; F157-Y227 AromaticContact CD2-CE2 3.66Å; F157-Y227 HydrophobicContact CD2-CE2 3.66Å; F157-Y227 HydrophobicContact CD2-CG 4.17Å; F157-Y227 AromaticContact CD2-CZ 3.82Å; F157-Y227 AromaticContact CE2-CD1 3.66Å; F157-Y227 HydrophobicContact CE2-CD1 3.66Å; F157-Y227 AromaticContact CE2-CD2 3.99Å; F157-Y227 HydrophobicContact CE2-CD2 3.99Å; F157-Y227 AromaticContact CE2-CE1 3.7Å; F157-Y227 HydrophobicContact CE2-CE1 3.7Å; F157-Y227 HydrophobicContact CE2-CE2 4.01Å; F157-Y227 AromaticContact CE2-CG 3.8Å; F157-Y227 HydrophobicContact CE2-CG 3.8Å; F157-Y227 AromaticContact CE2-CZ 3.86Å; L204-Y227 HydrophobicContact CD1-CD1 4.06Å; L204-Y227 HydrophobicContact CD1-CE1 4Å; S223-Y227 WeakPolarHBondContact O-CB 3.31Å; S223-Y227 PolarHBondContact O-N 2.64Å; I224-Y227 WeakPolarHBondContact O-CB 3.34Å; I224-Y227 PolarHBondContact O-N 2.99Å; Y227-N229 VanDerWaalsContact C-N 3.29Å; Y227-N229 PolarHBondContact O-N 3.06Å; Y227-C230 PolarHBondContact O-N 3.37Å; Y227-V231 HydrophobicContact CD2-CB 3.85Å; Y227-V231 HydrophobicContact CD2-CG1 4.39Å; Y227-V231 HydrophobicContact CD2-CG2 3.42Å; Y227-V231 VanDerWaalsContact CD2-CG2 3.42Å; Y227-V231 HydrophobicContact CE2-CB 3.81Å; Y227-V231 HydrophobicContact CE2-CG1 3.85Å; Y227-V231 HydrophobicContact CE2-CG2 3.74Å; Y227-V231 HydrophobicContact CG-CB 4.4Å; Y227-V231 HydrophobicContact CG-CG2 4.14Å; Y227-V231 WeakPolarHBondContact O-CA 3.37Å; Y227-V231 VanDerWaalsContact O-CB 3.29Å; Y227-V231 WeakPolarHBondContact O-CB 3.32Å; Y227-V231 PolarHBondContact O-N 2.87Å; Y227-L232 HydrophobicContact CD1-CD1 4.29Å; Y227-L232 HydrophobicContact CD1-CG 4.25Å; Y227-L232 HydrophobicContact CE1-CD1 3.84Å; Y227-L232 HydrophobicContact CE1-CD2 3.87Å; Y227-L232 HydrophobicContact CE1-CG 3.73Å; Y227-L232 PolarHBondContact O-N 2.96Å |
| 228 | K | 93.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -55.6 | -46.1 | 177.1 | -175.9 | -152.5 | 69.2 | 174.2 | 0 | 111.5 | I224 I225 K226 L232 K233 L254 D256 V259 | I224-K228 PolarHBondContact O-N 3.26Å; I225-K228 PolarHBondContact O-N 2.96Å; K226-K228 PolarHBondContact O-N 3.46Å; K228-L232 HydrophobicContact CB-CD1 4.47Å; K228-L232 HydrophobicContact CG-CD1 4.3Å; K228-L232 WeakPolarHBondContact O-CB 3.47Å; K228-L232 PolarHBondContact O-N 3.2Å; K228-K233 WeakPolarHBondContact O-CG 3.4Å; K228-K233 PolarHBondContact O-N 3.31Å; K228-L254 HydrophobicContact CD-CD2 4.23Å; K228-L254 HydrophobicContact CD-CG 4.08Å; K228-L254 HydrophobicContact CG-CD2 3.58Å; K228-L254 HydrophobicContact CG-CG 3.94Å; K228-D256 IonicContact NZ-OD1 3.41Å; K228-D256 PolarHBondContact NZ-OD1 3.31Å; K228-V259 HydrophobicContact CB-CG2 4.29Å; K228-V259 HydrophobicContact CD-CG2 3.73Å; K228-V259 HydrophobicContact CG-CG2 4.36Å |
| 229 | N | 92.1 | Very high | 90.6 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 32% | 0.316 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -73.9 | -40.3 | -177 | -70.5 | -32.5 | 0 | 0 | 0 | 113.1 | I225 K226 Y227 K234 | I225-N229 PolarHBondContact O-N 3.15Å; I225-N229 PolarHBondContact O-ND2 3.15Å; K226-N229 PolarHBondContact O-N 3.02Å; Y227-N229 VanDerWaalsContact C-N 3.29Å; Y227-N229 PolarHBondContact O-N 3.06Å; N229-K234 WeakPolarHBondContact O-CG 3.31Å; N229-K234 PolarHBondContact O-N 3.48Å |
| 230 | C | 92.1 | Very high | 90.4 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 18% | 0.176 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -87.5 | -41.6 | -174.8 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | K226 Y227 K234 | K226-C230 WeakPolarHBondContact O-CB 3.47Å; K226-C230 PolarHBondContact O-N 3.09Å; Y227-C230 PolarHBondContact O-N 3.37Å; C230-K234 WeakPolarHBondContact O-CB 3.44Å |
| 231 | V | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -89.5 | -58 | -176.4 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | A147 E148 T151 Y227 V235 L236 | A147-V231 HydrophobicContact CB-CG1 3.99Å; E148-V231 HydrophobicContact CG-CG1 4Å; T151-V231 VanDerWaalsContact OG1-CG2 3.29Å; T151-V231 WeakPolarHBondContact OG1-CG2 3.42Å; Y227-V231 HydrophobicContact CD2-CB 3.85Å; Y227-V231 HydrophobicContact CD2-CG1 4.39Å; Y227-V231 HydrophobicContact CD2-CG2 3.42Å; Y227-V231 VanDerWaalsContact CD2-CG2 3.42Å; Y227-V231 HydrophobicContact CE2-CB 3.81Å; Y227-V231 HydrophobicContact CE2-CG1 3.85Å; Y227-V231 HydrophobicContact CE2-CG2 3.74Å; Y227-V231 HydrophobicContact CG-CB 4.4Å; Y227-V231 HydrophobicContact CG-CG2 4.14Å; Y227-V231 WeakPolarHBondContact O-CA 3.37Å; Y227-V231 VanDerWaalsContact O-CB 3.29Å; Y227-V231 WeakPolarHBondContact O-CB 3.32Å; Y227-V231 PolarHBondContact O-N 2.87Å; V231-V235 WeakPolarHBondContact O-CB 3.16Å; V231-V235 PolarHBondContact O-N 2.89Å; V231-L236 PolarHBondContact O-N 2.89Å |
| 232 | L | 92.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -71.6 | -55.1 | -173.4 | -53.2 | 179.9 | 0 | 0 | 0 | 111.9 | L144 I200 Y227 K228 L236 I237 L254 | L144-L232 HydrophobicContact CD1-CD2 3.68Å; I200-L232 HydrophobicContact CG2-CD1 3.86Å; I200-L232 HydrophobicContact CG2-CD2 4.42Å; Y227-L232 HydrophobicContact CD1-CD1 4.29Å; Y227-L232 HydrophobicContact CD1-CG 4.25Å; Y227-L232 HydrophobicContact CE1-CD1 3.84Å; Y227-L232 HydrophobicContact CE1-CD2 3.87Å; Y227-L232 HydrophobicContact CE1-CG 3.73Å; Y227-L232 PolarHBondContact O-N 2.96Å; K228-L232 HydrophobicContact CB-CD1 4.47Å; K228-L232 HydrophobicContact CG-CD1 4.3Å; K228-L232 WeakPolarHBondContact O-CB 3.47Å; K228-L232 PolarHBondContact O-N 3.2Å; L232-L236 HydrophobicContact CD2-CD2 3.78Å; L232-L236 PolarHBondContact O-N 2.87Å; L232-I237 WeakPolarHBondContact O-CG1 3.13Å; L232-I237 PolarHBondContact O-N 2.69Å; L232-L254 HydrophobicContact CB-CD2 3.85Å; L232-L254 HydrophobicContact CD1-CD2 3.91Å |
| 233 | K | 90.1 | Very high | 88.2 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -73.7 | -42.1 | -175.1 | -64.7 | -158.5 | 173.3 | -172.1 | 0 | 114.5 | K228 P238 N251 L254 | K228-K233 WeakPolarHBondContact O-CG 3.4Å; K228-K233 PolarHBondContact O-N 3.31Å; K233-P238 WeakPolarHBondContact O-CD 3.23Å; K233-N251 WeakPolarHBondContact CB-OD1 3.26Å; K233-N251 WeakPolarHBondContact CD-OD1 3.11Å; K233-N251 WeakPolarHBondContact CG-OD1 3.45Å; K233-N251 PolarHBondContact NZ-O 2.85Å; K233-L254 WeakPolarHBondContact CE-O 3.49Å; K233-L254 HydrophobicContact CG-CD2 4.25Å; K233-L254 PolarHBondContact NZ-O 2.96Å |
| 234 | K | 88.6 | Confident | 87.5 | Confident | 147 Ų | 147 | 40.9 Ų | 40.9 | 64% | 0.639 | 20% | 0.197 | S | C | * | . | I | π-helix | trans | -86.5 | -27.7 | -175 | -73.6 | 177.8 | -170.9 | 174.3 | 0 | 114 | N229 C230 | N229-K234 WeakPolarHBondContact O-CG 3.31Å; N229-K234 PolarHBondContact O-N 3.48Å; C230-K234 WeakPolarHBondContact O-CB 3.44Å |
| 235 | V | 90 | Very high | 86.7 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -115.2 | -58.2 | -173.9 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | A147 T151 V231 P238 R239 | A147-V235 HydrophobicContact CB-CB 4.34Å; A147-V235 HydrophobicContact CB-CG1 3.84Å; T151-V235 HydrophobicContact CG2-CG2 3.7Å; V231-V235 WeakPolarHBondContact O-CB 3.16Å; V231-V235 PolarHBondContact O-N 2.89Å; V235-P238 WeakPolarHBondContact O-CD 3.34Å; V235-R239 WeakPolarHBondContact O-CD 3.36Å; V235-R239 VanDerWaalsContact O-CG 3.26Å; V235-R239 WeakPolarHBondContact O-CG 3.3Å; V235-R239 PolarHBondContact O-N 3.23Å |
| 236 | L | 89.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -65.3 | -54.3 | -173.9 | -177.4 | 68 | 0 | 0 | 0 | 112.9 | E143 L144 A147 I200 V231 L232 R239 L240 | E143-L236 HydrophobicContact CB-CD1 3.82Å; L144-L236 HydrophobicContact CD1-CD2 3.85Å; A147-L236 HydrophobicContact CB-CB 4.02Å; A147-L236 HydrophobicContact CB-CD1 4.25Å; I200-L236 HydrophobicContact CD1-CD2 4.16Å; I200-L236 HydrophobicContact CG1-CD2 4.13Å; V231-L236 PolarHBondContact O-N 2.89Å; L232-L236 HydrophobicContact CD2-CD2 3.78Å; L232-L236 PolarHBondContact O-N 2.87Å; L236-R239 WeakPolarHBondContact O-CA 3.13Å; L236-R239 WeakPolarHBondContact O-CB 3.34Å; L236-R239 PolarHBondContact O-N 3.02Å; L236-L240 HydrophobicContact CD1-CD1 4.25Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.02Å; L236-L240 HydrophobicContact CG-CG 4.44Å; L236-L240 PolarHBondContact O-N 3.33Å; L236-L240 VanDerWaalsContact O-N 3.09Å |
| 237 | I | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | -175.5 | -69.3 | 170.9 | 0 | 0 | 0 | 111.7 | I200 L232 R239 L240 F241 I247 I250 N251 L254 | I200-I237 HydrophobicContact CD1-CG1 4.49Å; L232-I237 WeakPolarHBondContact O-CG1 3.13Å; L232-I237 PolarHBondContact O-N 2.69Å; I237-R239 PolarHBondContact O-N 3.45Å; I237-L240 PolarHBondContact O-N 3.07Å; I237-F241 HydrophobicContact CG2-CD2 4.43Å; I237-F241 PolarHBondContact O-N 2.99Å; I237-F241 VanDerWaalsContact O-N 3.14Å; I237-I247 HydrophobicContact CG2-CB 4.19Å; I237-I247 HydrophobicContact CG2-CG1 4.17Å; I237-I247 HydrophobicContact CG2-CG2 3.92Å; I237-I250 HydrophobicContact CD1-CG2 3.75Å; I237-I250 HydrophobicContact CG1-CG2 4.12Å; I237-N251 VanDerWaalsContact CD1-OD1 3.26Å; I237-N251 WeakPolarHBondContact CD1-OD1 3.49Å; I237-L254 HydrophobicContact CD1-CD2 4.48Å |
| 238 | P | 86.5 | Confident | 85 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -20.3 | 173.8 | -26.7 | 37.8 | 0 | 0 | 0 | 115.4 | H181 K233 V235 | H181-P238 PolarHBondContact CE1-O 3.06Å; K233-P238 WeakPolarHBondContact O-CD 3.23Å; V235-P238 WeakPolarHBondContact O-CD 3.34Å |
| 239 | R | 84.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 51 Ų | 51 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80.7 | -32.5 | 173.2 | -72.7 | 170.2 | 178.5 | -169.6 | -1.6 | 112.8 | S146 D150 H181 V235 L236 I237 | S146-R239 VanDerWaalsContact C-NH1 3.33Å; S146-R239 PolarHBondContact O-NH1 3.43Å; S146-R239 PolarHBondContact OG-NH1 2.89Å; D150-R239 IonicContact OD2-CZ 3.92Å; D150-R239 IonicContact OD2-NH1 2.88Å; D150-R239 PolarHBondContact OD2-NH1 3.22Å; D150-R239 IonicContact OD2-NH2 2.86Å; D150-R239 PolarHBondContact OD2-NH2 2.96Å; H181-R239 PolarHBondContact CE1-O 3.2Å; H181-R239 PolarHBondContact NE2-O 3.41Å; V235-R239 WeakPolarHBondContact O-CD 3.36Å; V235-R239 VanDerWaalsContact O-CG 3.26Å; V235-R239 WeakPolarHBondContact O-CG 3.3Å; V235-R239 PolarHBondContact O-N 3.23Å; L236-R239 WeakPolarHBondContact O-CA 3.13Å; L236-R239 WeakPolarHBondContact O-CB 3.34Å; L236-R239 PolarHBondContact O-N 3.02Å; I237-R239 PolarHBondContact O-N 3.45Å |
| 240 | L | 83 | Confident | 84.2 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.6 | -32.9 | 179.6 | -62.9 | 176.9 | 0 | 0 | 0 | 112 | Y139 L140 E143 N189 Y192 L236 I237 | Y139-L240 HydrophobicContact CE1-CD2 4.13Å; L140-L240 HydrophobicContact CD2-CD1 3.76Å; L140-L240 HydrophobicContact CD2-CD2 3.74Å; L140-L240 HydrophobicContact CD2-CG 4.41Å; E143-L240 HydrophobicContact CB-CD2 4.07Å; E143-L240 HydrophobicContact CG-CD2 3.93Å; N189-L240 PolarHBondContact OD1-O 2.73Å; Y192-L240 PolarHBondContact OH-O 3.31Å; L236-L240 HydrophobicContact CD1-CD1 4.25Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.02Å; L236-L240 HydrophobicContact CG-CG 4.44Å; L236-L240 PolarHBondContact O-N 3.33Å; L236-L240 VanDerWaalsContact O-N 3.09Å; I237-L240 PolarHBondContact O-N 3.07Å |
| 241 | F | 81.7 | Confident | 84 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | trans | -127.9 | 130.8 | -173.1 | -57.5 | -79.9 | 0 | 0 | 0 | 112.6 | R193 C196 I237 D246 I247 I250 | R193-F241 HydrophobicContact CB-CE1 4.34Å; R193-F241 HydrophobicContact CG-CE1 4.01Å; R193-F241 HydrophobicContact CG-CZ 4.39Å; C196-F241 HydrophobicContact CB-CE2 4.34Å; C196-F241 HydrophobicContact CB-CZ 4.04Å; I237-F241 HydrophobicContact CG2-CD2 4.43Å; I237-F241 PolarHBondContact O-N 2.99Å; I237-F241 VanDerWaalsContact O-N 3.14Å; F241-D246 HydrophobicContact CB-CB 4.06Å; F241-D246 HydrophobicContact CD1-CB 3.82Å; F241-D246 HydrophobicContact CG-CB 3.99Å; F241-I247 HydrophobicContact CB-CG1 3.95Å; F241-I250 HydrophobicContact CD2-CD1 3.68Å; F241-I250 HydrophobicContact CE1-CD1 4.07Å; F241-I250 HydrophobicContact CE2-CD1 3.01Å; F241-I250 HydrophobicContact CE2-CG1 4.49Å; F241-I250 HydrophobicContact CG-CD1 4.44Å; F241-I250 HydrophobicContact CZ-CD1 3.23Å | ||
| 242 | S | 74 | Confident | 83.7 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 46% | 0.462 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -86.7 | -23.5 | 174.4 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 243 | R | 72.9 | Confident | 83.4 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -89.5 | 131.6 | -177.5 | -61.5 | -179.6 | -177.6 | -163.2 | 3.2 | 111.3 | S113 S245 D246 I247 | S113-R243 PolarHBondContact OG-NH1 2.63Å; S113-R243 PolarHBondContact OG-NH2 3.09Å; R243-S245 VanDerWaalsContact C-N 3.28Å; R243-S245 PolarHBondContact O-N 3.43Å; R243-D246 WeakPolarHBondContact CB-OD2 3.45Å; R243-D246 WeakPolarHBondContact CD-OD2 3.4Å; R243-D246 PolarHBondContact O-N 3.35Å; R243-I247 WeakPolarHBondContact O-CG1 3.45Å; R243-I247 PolarHBondContact O-N 3.4Å |
| 244 | K | 76.7 | Confident | 83.3 | Confident | 166 Ų | 166 | 54.5 Ų | 54.5 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.9 | -34.5 | 177.8 | -66.1 | -174.3 | 178.6 | -177.4 | 0 | 113.2 | I247 H248 | K244-I247 PolarHBondContact O-N 3.19Å; K244-H248 PolarHBondContact O-CD2 3.1Å; K244-H248 PolarHBondContact O-N 3.49Å |
| 245 | S | 76.6 | Confident | 83.3 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | R243 I247 H248 E249 | R243-S245 VanDerWaalsContact C-N 3.28Å; R243-S245 PolarHBondContact O-N 3.43Å; S245-I247 PolarHBondContact O-N 2.7Å; S245-H248 PolarHBondContact O-N 3.25Å; S245-E249 PolarHBondContact O-N 2.66Å |
| 246 | D | 75.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | -179.7 | -62.9 | -43.7 | 0 | 0 | 0 | 111.6 | R193 F241 R243 H248 E249 I250 | R193-D246 IonicContact CZ-OD1 3.91Å; R193-D246 VanDerWaalsContact CZ-OD1 3.28Å; R193-D246 IonicContact NE-OD1 3.71Å; R193-D246 PolarHBondContact NE-OD1 2.81Å; R193-D246 IonicContact NH2-OD1 3.57Å; R193-D246 PolarHBondContact NH2-OD1 3.33Å; F241-D246 HydrophobicContact CB-CB 4.06Å; F241-D246 HydrophobicContact CD1-CB 3.82Å; F241-D246 HydrophobicContact CG-CB 3.99Å; R243-D246 WeakPolarHBondContact CB-OD2 3.45Å; R243-D246 WeakPolarHBondContact CD-OD2 3.4Å; R243-D246 PolarHBondContact O-N 3.35Å; D246-H248 VanDerWaalsContact C-N 3.31Å; D246-H248 PolarHBondContact O-N 3.26Å; D246-E249 PolarHBondContact O-N 3.06Å; D246-I250 PolarHBondContact O-N 2.63Å; D246-I250 VanDerWaalsContact O-N 3.11Å |
| 247 | I | 81.9 | Confident | 83.5 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 173.8 | -65.1 | 170.7 | 0 | 0 | 0 | 110.6 | I237 F241 R243 K244 S245 N251 | I237-I247 HydrophobicContact CG2-CB 4.19Å; I237-I247 HydrophobicContact CG2-CG1 4.17Å; I237-I247 HydrophobicContact CG2-CG2 3.92Å; F241-I247 HydrophobicContact CB-CG1 3.95Å; R243-I247 WeakPolarHBondContact O-CG1 3.45Å; R243-I247 PolarHBondContact O-N 3.4Å; K244-I247 PolarHBondContact O-N 3.19Å; S245-I247 PolarHBondContact O-N 2.7Å; I247-N251 WeakPolarHBondContact CG2-ND2 3.42Å; I247-N251 WeakPolarHBondContact O-CB 3.4Å; I247-N251 PolarHBondContact O-N 3.06Å; I247-N251 PolarHBondContact O-ND2 3.31Å |
| 248 | H | 84.8 | Confident | 83.6 | Confident | 131 Ų | 131 | 58 Ų | 58 | 61% | 0.606 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | -179.4 | -77 | -58.4 | 0 | 0 | 0 | 112.7 | K244 S245 D246 N251 A252 | K244-H248 PolarHBondContact O-CD2 3.1Å; K244-H248 PolarHBondContact O-N 3.49Å; S245-H248 PolarHBondContact O-N 3.25Å; D246-H248 VanDerWaalsContact C-N 3.31Å; D246-H248 PolarHBondContact O-N 3.26Å; H248-N251 PolarHBondContact O-N 3.29Å; H248-A252 WeakPolarHBondContact O-CB 3.5Å; H248-A252 PolarHBondContact O-N 3.3Å |
| 249 | E | 84.4 | Confident | 83.9 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 178.7 | -75.2 | 178.5 | -146.7 | 0 | 0 | 111.8 | R193 S245 D246 N251 A252 E253 | R193-E249 IonicContact CZ-OE2 3.23Å; R193-E249 IonicContact NH1-OE2 2.71Å; R193-E249 PolarHBondContact NH1-OE2 3.41Å; R193-E249 VanDerWaalsContact NH2-CD 3.3Å; R193-E249 IonicContact NH2-OE1 2.85Å; R193-E249 IonicContact NH2-OE2 3.15Å; R193-E249 PolarHBondContact NH2-OE2 2.91Å; S245-E249 PolarHBondContact O-N 2.66Å; D246-E249 PolarHBondContact O-N 3.06Å; E249-N251 VanDerWaalsContact C-N 3.34Å; E249-N251 PolarHBondContact O-N 3.36Å; E249-A252 WeakPolarHBondContact O-CB 3.38Å; E249-A252 PolarHBondContact O-N 3.29Å; E249-A252 VanDerWaalsContact O-N 3.14Å; E249-E253 PolarHBondContact O-N 3.24Å; E249-E253 VanDerWaalsContact O-N 3.08Å |
| 250 | I | 83.8 | Confident | 84.4 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 179.6 | -63.4 | 171 | 0 | 0 | 0 | 111 | I237 F241 D246 A252 E253 L254 | I237-I250 HydrophobicContact CD1-CG2 3.75Å; I237-I250 HydrophobicContact CG1-CG2 4.12Å; F241-I250 HydrophobicContact CD2-CD1 3.68Å; F241-I250 HydrophobicContact CE1-CD1 4.07Å; F241-I250 HydrophobicContact CE2-CD1 3.01Å; F241-I250 HydrophobicContact CE2-CG1 4.49Å; F241-I250 HydrophobicContact CG-CD1 4.44Å; F241-I250 HydrophobicContact CZ-CD1 3.23Å; D246-I250 PolarHBondContact O-N 2.63Å; D246-I250 VanDerWaalsContact O-N 3.11Å; I250-A252 VanDerWaalsContact C-N 3.27Å; I250-A252 PolarHBondContact O-N 3.45Å; I250-E253 PolarHBondContact O-N 3.18Å; I250-L254 PolarHBondContact O-N 3.46Å; I250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | N | 87.2 | Confident | 85 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -30.2 | 173.6 | -84 | -41.2 | 0 | 0 | 0 | 113.4 | K233 I237 I247 H248 E249 | K233-N251 WeakPolarHBondContact CB-OD1 3.26Å; K233-N251 WeakPolarHBondContact CD-OD1 3.11Å; K233-N251 WeakPolarHBondContact CG-OD1 3.45Å; K233-N251 PolarHBondContact NZ-O 2.85Å; I237-N251 VanDerWaalsContact CD1-OD1 3.26Å; I237-N251 WeakPolarHBondContact CD1-OD1 3.49Å; I247-N251 WeakPolarHBondContact CG2-ND2 3.42Å; I247-N251 WeakPolarHBondContact O-CB 3.4Å; I247-N251 PolarHBondContact O-N 3.06Å; I247-N251 PolarHBondContact O-ND2 3.31Å; H248-N251 PolarHBondContact O-N 3.29Å; E249-N251 VanDerWaalsContact C-N 3.34Å; E249-N251 PolarHBondContact O-N 3.36Å |
| 252 | A | 86.6 | Confident | 85.5 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.2 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | H248 E249 I250 L254 | H248-A252 WeakPolarHBondContact O-CB 3.5Å; H248-A252 PolarHBondContact O-N 3.3Å; E249-A252 WeakPolarHBondContact O-CB 3.38Å; E249-A252 PolarHBondContact O-N 3.29Å; E249-A252 VanDerWaalsContact O-N 3.14Å; I250-A252 VanDerWaalsContact C-N 3.27Å; I250-A252 PolarHBondContact O-N 3.45Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 3.38Å |
| 253 | E | 86 | Confident | 86.4 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -35 | 172.1 | -72.9 | -164.5 | -148.2 | 0 | 0 | 112.6 | A197 K201 E249 I250 S255 I258 | A197-E253 VanDerWaalsContact CB-OE2 3.3Å; A197-E253 WeakPolarHBondContact CB-OE2 3.49Å; K201-E253 IonicContact NZ-OE2 3.39Å; K201-E253 PolarHBondContact NZ-OE2 3.47Å; E249-E253 PolarHBondContact O-N 3.24Å; E249-E253 VanDerWaalsContact O-N 3.08Å; I250-E253 PolarHBondContact O-N 3.18Å; E253-S255 VanDerWaalsContact C-N 3.28Å; E253-S255 PolarHBondContact O-N 2.92Å; E253-I258 WeakPolarHBondContact O-CD1 3.37Å |
| 254 | L | 87 | Confident | 87.4 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -86.2 | 57.5 | -177.6 | -150.2 | 76.5 | 0 | 0 | 0 | 112.6 | I200 K228 L232 K233 I237 I250 A252 | I200-L254 HydrophobicContact CG2-CD1 3.88Å; I200-L254 HydrophobicContact CG2-CD2 4.39Å; K228-L254 HydrophobicContact CD-CD2 4.23Å; K228-L254 HydrophobicContact CD-CG 4.08Å; K228-L254 HydrophobicContact CG-CD2 3.58Å; K228-L254 HydrophobicContact CG-CG 3.94Å; L232-L254 HydrophobicContact CB-CD2 3.85Å; L232-L254 HydrophobicContact CD1-CD2 3.91Å; K233-L254 WeakPolarHBondContact CE-O 3.49Å; K233-L254 HydrophobicContact CG-CD2 4.25Å; K233-L254 PolarHBondContact NZ-O 2.96Å; I237-L254 HydrophobicContact CD1-CD2 4.48Å; I250-L254 PolarHBondContact O-N 3.46Å; I250-L254 VanDerWaalsContact O-N 3.08Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 3.38Å |
| 255 | S | 89.6 | Confident | 88.2 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | trans | -69.2 | 168.2 | 176.4 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | E253 E257 I258 | E253-S255 VanDerWaalsContact C-N 3.28Å; E253-S255 PolarHBondContact O-N 2.92Å; S255-E257 PolarHBondContact O-N 3.41Å; S255-E257 WeakPolarHBondContact OG-CB 3.49Å; S255-E257 PolarHBondContact OG-N 2.88Å; S255-I258 PolarHBondContact O-N 3.3Å | ||
| 256 | D | 90.8 | Very high | 88.9 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -29.8 | 171.6 | -67.7 | -43.1 | 0 | 0 | 0 | 111.8 | K228 I258 V259 Y260 | K228-D256 IonicContact NZ-OD1 3.41Å; K228-D256 PolarHBondContact NZ-OD1 3.31Å; D256-I258 PolarHBondContact O-N 3.41Å; D256-V259 WeakPolarHBondContact O-CB 3.49Å; D256-V259 PolarHBondContact O-N 3.11Å; D256-Y260 HydrophobicContact CB-CD2 4.42Å; D256-Y260 HydrophobicContact CB-CE2 3.82Å; D256-Y260 WeakPolarHBondContact O-CD2 3.41Å; D256-Y260 PolarHBondContact O-N 3.48Å; D256-Y260 VanDerWaalsContact O-N 3.16Å |
| 257 | E | 91.7 | Very high | 89.6 | Confident | 113 Ų | 113 | 47.5 Ų | 47.5 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -53.5 | -38.3 | 176.1 | -163.5 | -174.4 | 160.4 | 0 | 0 | 112.7 | S255 V259 Y260 K261 L295 | S255-E257 PolarHBondContact O-N 3.41Å; S255-E257 WeakPolarHBondContact OG-CB 3.49Å; S255-E257 PolarHBondContact OG-N 2.88Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 3.2Å; E257-Y260 PolarHBondContact O-N 2.9Å; E257-K261 VanDerWaalsContact O-CB 3.28Å; E257-K261 WeakPolarHBondContact O-CB 3.47Å; E257-K261 PolarHBondContact O-N 3.5Å; E257-L295 HydrophobicContact CG-CD2 3.43Å; E257-L295 VanDerWaalsContact CG-CD2 3.43Å |
| 258 | I | 91 | Very high | 90.1 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.138 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.6 | -64.9 | -163.1 | 0 | 0 | 0 | 111.3 | K201 E253 S255 D256 K261 T262 | K201-I258 HydrophobicContact CD-CD1 3.93Å; K201-I258 VanDerWaalsContact CE-CD1 3.47Å; K201-I258 HydrophobicContact CG-CD1 4.17Å; K201-I258 HydrophobicContact CG-CG2 4.3Å; E253-I258 WeakPolarHBondContact O-CD1 3.37Å; S255-I258 PolarHBondContact O-N 3.3Å; D256-I258 PolarHBondContact O-N 3.41Å; I258-K261 PolarHBondContact O-N 3.08Å; I258-T262 WeakPolarHBondContact O-CB 3.42Å; I258-T262 PolarHBondContact O-N 3.34Å; I258-T262 PolarHBondContact O-OG1 3.42Å |
| 259 | V | 93.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 179.5 | 179.2 | 0 | 0 | 0 | 0 | 110 | L204 L221 I224 I225 K228 D256 E257 K261 T262 F263 | L204-V259 HydrophobicContact CD2-CG2 4.32Å; L221-V259 HydrophobicContact CD1-CG1 4.03Å; I224-V259 HydrophobicContact CB-CG1 4.1Å; I224-V259 HydrophobicContact CG2-CG1 3.56Å; I225-V259 HydrophobicContact CG1-CB 4.31Å; I225-V259 HydrophobicContact CG1-CG1 3.9Å; K228-V259 HydrophobicContact CB-CG2 4.29Å; K228-V259 HydrophobicContact CD-CG2 3.73Å; K228-V259 HydrophobicContact CG-CG2 4.36Å; D256-V259 WeakPolarHBondContact O-CB 3.49Å; D256-V259 PolarHBondContact O-N 3.11Å; E257-V259 VanDerWaalsContact C-N 3.33Å; E257-V259 PolarHBondContact O-N 3.2Å; V259-K261 VanDerWaalsContact C-N 3.26Å; V259-K261 PolarHBondContact O-N 3.03Å; V259-T262 PolarHBondContact O-N 3.04Å; V259-F263 VanDerWaalsContact O-CB 3.31Å; V259-F263 WeakPolarHBondContact O-CB 3.37Å; V259-F263 PolarHBondContact O-N 3.34Å |
| 260 | Y | 95 | Very high | 90.8 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 176 | -60.8 | -58.6 | 0 | 0 | 0 | 111.1 | L221 I225 D256 E257 F263 Y264 C291 H294 | L221-Y260 HydrophobicContact CD1-CD1 3.82Å; L221-Y260 HydrophobicContact CD1-CE1 4.06Å; L221-Y260 HydrophobicContact CD2-CD1 3.88Å; L221-Y260 HydrophobicContact CD2-CE1 3.7Å; L221-Y260 HydrophobicContact CG-CD1 4.24Å; L221-Y260 HydrophobicContact CG-CE1 4.05Å; I225-Y260 HydrophobicContact CD1-CE1 4.03Å; D256-Y260 HydrophobicContact CB-CD2 4.42Å; D256-Y260 HydrophobicContact CB-CE2 3.82Å; D256-Y260 WeakPolarHBondContact O-CD2 3.41Å; D256-Y260 PolarHBondContact O-N 3.48Å; D256-Y260 VanDerWaalsContact O-N 3.16Å; E257-Y260 PolarHBondContact O-N 2.9Å; Y260-F263 PolarHBondContact O-N 2.98Å; Y260-Y264 WeakPolarHBondContact O-CB 3.44Å; Y260-Y264 PolarHBondContact O-N 2.79Å; Y260-C291 HydrophobicContact CD1-CB 4.5Å; Y260-H294 HydrophobicContact CD2-CB 3.65Å; Y260-H294 AromaticContact CE1-CD2 3.79Å; Y260-H294 HydrophobicContact CE2-CB 3.8Å; Y260-H294 AromaticContact CE2-CD2 3.54Å; Y260-H294 AromaticContact CE2-CG 3.65Å; Y260-H294 HydrophobicContact CG-CB 4.16Å; Y260-H294 AromaticContact CZ-CD2 3.32Å; Y260-H294 AromaticContact CZ-CG 3.94Å; Y260-H294 AromaticContact CZ-NE2 3.89Å; Y260-H294 PolarHBondContact OH-CD2 2.98Å |
| 261 | K | 94 | Very high | 91.2 | Very high | 119 Ų | 119 | 43.5 Ų | 43.5 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.7 | -45.1 | -177.9 | -177.1 | 175.6 | -178.9 | 175.8 | 0 | 111.1 | E257 I258 V259 Y264 L265 L295 | E257-K261 VanDerWaalsContact O-CB 3.28Å; E257-K261 WeakPolarHBondContact O-CB 3.47Å; E257-K261 PolarHBondContact O-N 3.5Å; I258-K261 PolarHBondContact O-N 3.08Å; V259-K261 VanDerWaalsContact C-N 3.26Å; V259-K261 PolarHBondContact O-N 3.03Å; K261-Y264 PolarHBondContact O-N 3.45Å; K261-L265 HydrophobicContact CG-CD1 4.02Å; K261-L265 HydrophobicContact CG-CG 4.5Å; K261-L265 WeakPolarHBondContact O-CB 3.2Å; K261-L265 VanDerWaalsContact O-CG 3.23Å; K261-L265 WeakPolarHBondContact O-CG 3.46Å; K261-L265 PolarHBondContact O-N 3.5Å; K261-L295 HydrophobicContact CB-CD1 4.16Å |
| 262 | T | 92.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | S205 I258 V259 Y264 L265 V266 | S205-T262 VanDerWaalsContact CA-CG2 3.43Å; I258-T262 WeakPolarHBondContact O-CB 3.42Å; I258-T262 PolarHBondContact O-N 3.34Å; I258-T262 PolarHBondContact O-OG1 3.42Å; V259-T262 PolarHBondContact O-N 3.04Å; T262-Y264 VanDerWaalsContact C-N 3.35Å; T262-Y264 PolarHBondContact O-N 3.37Å; T262-L265 PolarHBondContact O-N 2.99Å; T262-V266 WeakPolarHBondContact O-CG2 3.33Å; T262-V266 PolarHBondContact O-N 3.01Å |
| 263 | F | 93.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 179.1 | -170.7 | -92.5 | 0 | 0 | 0 | 112 | T208 F220 L221 I224 V259 Y260 V266 H267 D287 | T208-F263 HydrophobicContact CG2-CD2 4.23Å; F220-F263 HydrophobicContact CB-CE2 4.27Å; L221-F263 HydrophobicContact CD1-CB 4.12Å; L221-F263 HydrophobicContact CD1-CD1 4.49Å; L221-F263 HydrophobicContact CD1-CD2 4.3Å; L221-F263 HydrophobicContact CD1-CG 4.05Å; I224-F263 HydrophobicContact CD1-CD2 4Å; I224-F263 HydrophobicContact CD1-CE2 4.37Å; V259-F263 VanDerWaalsContact O-CB 3.31Å; V259-F263 WeakPolarHBondContact O-CB 3.37Å; V259-F263 PolarHBondContact O-N 3.34Å; Y260-F263 PolarHBondContact O-N 2.98Å; F263-V266 PolarHBondContact O-N 3.27Å; F263-H267 AromaticContact CD1-ND1 3.76Å; F263-H267 AromaticContact CD2-CE1 3.91Å; F263-H267 AromaticContact CE1-CE1 3.56Å; F263-H267 AromaticContact CE1-ND1 3.6Å; F263-H267 AromaticContact CE2-CE1 3.41Å; F263-H267 VanDerWaalsContact CE2-CE1 3.41Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.49Å; F263-H267 AromaticContact CZ-CE1 3.22Å; F263-H267 WeakPolarHBondContact CZ-CE1 3.28Å; F263-H267 AromaticContact CZ-ND1 3.77Å; F263-H267 AromaticContact CZ-NE2 3.99Å; F263-H267 PolarHBondContact O-N 3.16Å; F263-H267 PolarHBondContact O-ND1 3.47Å; F263-D287 HydrophobicContact CE1-CB 3.87Å; F263-D287 HydrophobicContact CZ-CB 3.83Å |
| 264 | Y | 94.1 | Very high | 92 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.8 | 172.6 | -107.9 | 0 | 0 | 0 | 112.3 | Y260 K261 T262 V266 H267 K268 L288 I297 D300 L301 | Y260-Y264 WeakPolarHBondContact O-CB 3.44Å; Y260-Y264 PolarHBondContact O-N 2.79Å; K261-Y264 PolarHBondContact O-N 3.45Å; T262-Y264 VanDerWaalsContact C-N 3.35Å; T262-Y264 PolarHBondContact O-N 3.37Å; Y264-V266 VanDerWaalsContact C-N 3.25Å; Y264-V266 PolarHBondContact O-N 3.13Å; Y264-H267 PolarHBondContact O-N 2.86Å; Y264-K268 HydrophobicContact CE1-CD 4.31Å; Y264-K268 WeakPolarHBondContact O-CB 3.44Å; Y264-K268 PolarHBondContact O-N 3.42Å; Y264-L288 HydrophobicContact CD2-CD1 3.86Å; Y264-I297 HydrophobicContact CD1-CB 4.36Å; Y264-I297 HydrophobicContact CD1-CD1 4.07Å; Y264-I297 HydrophobicContact CD1-CG2 3.97Å; Y264-I297 HydrophobicContact CD2-CD1 3.41Å; Y264-I297 VanDerWaalsContact CD2-CD1 3.41Å; Y264-I297 HydrophobicContact CE1-CB 4.1Å; Y264-I297 HydrophobicContact CE1-CD1 4.4Å; Y264-I297 HydrophobicContact CE1-CG2 3.99Å; Y264-I297 HydrophobicContact CE2-CD1 3.8Å; Y264-I297 HydrophobicContact CG-CD1 3.54Å; Y264-D300 VanDerWaalsContact CE1-OD2 3.3Å; Y264-D300 WeakPolarHBondContact CE1-OD2 3.42Å; Y264-D300 PolarHBondContact OH-OD2 3.25Å; Y264-L301 HydrophobicContact CE2-CB 4.41Å; Y264-L301 PolarHBondContact OH-N 2.95Å |
| 265 | L | 93.1 | Very high | 92.3 | Very high | 88 Ų | 88 | 36 Ų | 36 | 46% | 0.461 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64 | -31.5 | -178.6 | -72.4 | 173.2 | 0 | 0 | 0 | 112.9 | K261 T262 | K261-L265 HydrophobicContact CG-CD1 4.02Å; K261-L265 HydrophobicContact CG-CG 4.5Å; K261-L265 WeakPolarHBondContact O-CB 3.2Å; K261-L265 VanDerWaalsContact O-CG 3.23Å; K261-L265 WeakPolarHBondContact O-CG 3.46Å; K261-L265 PolarHBondContact O-N 3.5Å; T262-L265 PolarHBondContact O-N 2.99Å |
| 266 | V | 91.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 174.4 | 166 | 0 | 0 | 0 | 0 | 111.3 | T208 K209 C212 T262 F263 Y264 P269 | T208-V266 HydrophobicContact CG2-CG2 4.19Å; K209-V266 HydrophobicContact CB-CG1 4.25Å; K209-V266 HydrophobicContact CB-CG2 4.06Å; K209-V266 HydrophobicContact CG-CG1 4.43Å; C212-V266 HydrophobicContact CB-CG1 3.94Å; T262-V266 WeakPolarHBondContact O-CG2 3.33Å; T262-V266 PolarHBondContact O-N 3.01Å; F263-V266 PolarHBondContact O-N 3.27Å; Y264-V266 VanDerWaalsContact C-N 3.25Å; Y264-V266 PolarHBondContact O-N 3.13Å; V266-P269 WeakPolarHBondContact O-CD 3.34Å |
| 267 | H | 91.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.9 | -20.3 | -178.8 | -69.1 | 88.8 | 0 | 0 | 0 | 113.8 | C212 F263 Y264 D270 M271 L274 | C212-H267 VanDerWaalsContact SG-CE1 3.56Å; F263-H267 AromaticContact CD1-ND1 3.76Å; F263-H267 AromaticContact CD2-CE1 3.91Å; F263-H267 AromaticContact CE1-CE1 3.56Å; F263-H267 AromaticContact CE1-ND1 3.6Å; F263-H267 AromaticContact CE2-CE1 3.41Å; F263-H267 VanDerWaalsContact CE2-CE1 3.41Å; F263-H267 WeakPolarHBondContact CE2-CE1 3.49Å; F263-H267 AromaticContact CZ-CE1 3.22Å; F263-H267 WeakPolarHBondContact CZ-CE1 3.28Å; F263-H267 AromaticContact CZ-ND1 3.77Å; F263-H267 AromaticContact CZ-NE2 3.99Å; F263-H267 PolarHBondContact O-N 3.16Å; F263-H267 PolarHBondContact O-ND1 3.47Å; Y264-H267 PolarHBondContact O-N 2.86Å; H267-D270 CarbonylContact O-C 3.47Å; H267-D270 PolarHBondContact O-N 3.25Å; H267-M271 HydrophobicContact CB-SD 4.39Å; H267-M271 WeakPolarHBondContact O-CG 3.46Å; H267-M271 PolarHBondContact O-N 2.92Å; H267-L274 HydrophobicContact CB-CD1 4.38Å; H267-L274 VanDerWaalsContact CD2-CD1 3.48Å; H267-L274 WeakPolarHBondContact CD2-CD1 3.47Å |
| 268 | K | 92.7 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.2 Ų | 34.2 | 22% | 0.222 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -42.3 | -56.3 | 179.6 | -176.7 | 171.3 | -179.6 | 166.1 | 0 | 113.4 | Y264 D270 M271 D300 H304 | Y264-K268 HydrophobicContact CE1-CD 4.31Å; Y264-K268 WeakPolarHBondContact O-CB 3.44Å; Y264-K268 PolarHBondContact O-N 3.42Å; K268-D270 VanDerWaalsContact C-N 3.25Å; K268-D270 PolarHBondContact O-N 3.29Å; K268-M271 WeakPolarHBondContact O-CB 3.43Å; K268-M271 WeakPolarHBondContact O-CG 3.38Å; K268-M271 PolarHBondContact O-N 3.1Å; K268-D300 WeakPolarHBondContact CE-OD2 3.48Å; K268-D300 IonicContact NZ-OD1 3.69Å; K268-D300 PolarHBondContact NZ-OD1 3.02Å; K268-D300 IonicContact NZ-OD2 2.92Å; K268-D300 PolarHBondContact NZ-OD2 3.14Å; K268-H304 PolarHBondContact O-CD2 3.44Å; K268-H304 PolarHBondContact O-NE2 3.08Å |
| 269 | P | 91.7 | Very high | 92 | Very high | 74 Ų | 74 | 36.3 Ų | 36.3 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -63.6 | -27.8 | -179 | 26.4 | -36.6 | 0 | 0 | 0 | 114.2 | V266 | V266-P269 WeakPolarHBondContact O-CD 3.34Š|
| 270 | D | 90.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -101.2 | 9.3 | -175.2 | -59.4 | -41.6 | 0 | 0 | 0 | 112.5 | H267 K268 F272 S273 L274 | H267-D270 CarbonylContact O-C 3.47Å; H267-D270 PolarHBondContact O-N 3.25Å; K268-D270 VanDerWaalsContact C-N 3.25Å; K268-D270 PolarHBondContact O-N 3.29Å; D270-F272 VanDerWaalsContact C-N 3.26Å; D270-F272 PolarHBondContact O-N 3.23Å; D270-F272 VanDerWaalsContact O-N 3.16Å; D270-S273 WeakPolarHBondContact O-CB 3.43Å; D270-S273 PolarHBondContact O-N 3.1Å; D270-L274 PolarHBondContact O-N 3.41Å |
| 271 | M | 91.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54 | -39.8 | -174.7 | -83.5 | -56.6 | -42.6 | 0 | 0 | 113.6 | H267 K268 V275 L288 L301 L305 | H267-M271 HydrophobicContact CB-SD 4.39Å; H267-M271 WeakPolarHBondContact O-CG 3.46Å; H267-M271 PolarHBondContact O-N 2.92Å; K268-M271 WeakPolarHBondContact O-CB 3.43Å; K268-M271 WeakPolarHBondContact O-CG 3.38Å; K268-M271 PolarHBondContact O-N 3.1Å; M271-V275 WeakPolarHBondContact O-CG2 3.21Å; M271-V275 PolarHBondContact O-N 3.34Å; M271-L288 HydrophobicContact CE-CD2 3.34Å; M271-L288 HydrophobicContact SD-CD1 4.28Å; M271-L288 HydrophobicContact SD-CD2 3.52Å; M271-L288 VanDerWaalsContact SD-CD2 3.52Å; M271-L301 HydrophobicContact CE-CD1 3.67Å; M271-L301 HydrophobicContact CG-CD1 4.36Å; M271-L301 HydrophobicContact SD-CD1 4.26Å; M271-L305 HydrophobicContact CB-CD1 4.35Å |
| 272 | F | 93.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -46.2 | 176.9 | 177.2 | -92 | 0 | 0 | 0 | 111.6 | D270 L274 V275 I276 L305 E308 V309 R312 L313 | D270-F272 VanDerWaalsContact C-N 3.26Å; D270-F272 PolarHBondContact O-N 3.23Å; D270-F272 VanDerWaalsContact O-N 3.16Å; F272-L274 VanDerWaalsContact C-N 3.31Å; F272-L274 PolarHBondContact O-N 3.18Å; F272-V275 PolarHBondContact O-N 3.43Å; F272-I276 HydrophobicContact CD1-CG1 4.11Å; F272-I276 HydrophobicContact CD2-CG1 4.48Å; F272-I276 HydrophobicContact CE1-CG1 3.68Å; F272-I276 HydrophobicContact CE2-CD1 4.29Å; F272-I276 HydrophobicContact CE2-CG1 4.07Å; F272-I276 HydrophobicContact CZ-CD1 4.03Å; F272-I276 HydrophobicContact CZ-CG1 3.67Å; F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 2.93Å; F272-L305 HydrophobicContact CB-CD1 4.34Å; F272-E308 HydrophobicContact CB-CB 4.01Å; F272-E308 HydrophobicContact CB-CG 4.48Å; F272-E308 HydrophobicContact CD2-CB 4.47Å; F272-E308 HydrophobicContact CG-CB 4.5Å; F272-V309 HydrophobicContact CD2-CG2 4.02Å; F272-V309 HydrophobicContact CE2-CG2 4.18Å; F272-R312 HydrophobicContact CE1-CB 4.25Å; F272-R312 HydrophobicContact CZ-CB 4.18Å; F272-L313 HydrophobicContact CE2-CB 4.33Å; F272-L313 HydrophobicContact CZ-CB 4.43Å |
| 273 | S | 92.2 | Very high | 91.6 | Very high | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 179.1 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | D270 V275 I276 E277 | D270-S273 WeakPolarHBondContact O-CB 3.43Å; D270-S273 PolarHBondContact O-N 3.1Å; S273-V275 VanDerWaalsContact C-N 3.3Å; S273-V275 PolarHBondContact O-N 2.97Å; S273-I276 PolarHBondContact O-N 3.4Å; S273-I276 VanDerWaalsContact O-N 3.12Å; S273-E277 WeakPolarHBondContact O-CG 3.28Å; S273-E277 PolarHBondContact O-N 3.41Å |
| 274 | L | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 177.8 | -163 | 158.7 | 0 | 0 | 0 | 112.1 | Y216 H267 D270 F272 S281 A284 L285 | Y216-L274 HydrophobicContact CD1-CD1 4.03Å; Y216-L274 HydrophobicContact CD1-CG 4.08Å; Y216-L274 HydrophobicContact CE1-CD1 4.34Å; Y216-L274 HydrophobicContact CE1-CG 4.49Å; Y216-L274 HydrophobicContact CG-CG 4.45Å; H267-L274 HydrophobicContact CB-CD1 4.38Å; H267-L274 VanDerWaalsContact CD2-CD1 3.48Å; H267-L274 WeakPolarHBondContact CD2-CD1 3.47Å; D270-L274 PolarHBondContact O-N 3.41Å; F272-L274 VanDerWaalsContact C-N 3.31Å; F272-L274 PolarHBondContact O-N 3.18Å; L274-S281 WeakPolarHBondContact O-CB 3.43Å; L274-S281 PolarHBondContact O-OG 3.41Å; L274-A284 HydrophobicContact CD1-CB 4.15Å; L274-A284 HydrophobicContact CD2-CB 4.49Å; L274-A284 HydrophobicContact CG-CB 4.44Å; L274-L285 HydrophobicContact CD2-CB 4.44Å; L274-L285 HydrophobicContact CD2-CD1 4.4Å; L274-L285 HydrophobicContact CD2-CD2 3.14Å; L274-L285 HydrophobicContact CD2-CG 3.38Å |
| 275 | V | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.3 | -37.9 | 177 | 167.9 | 0 | 0 | 0 | 0 | 112.5 | M271 F272 S273 Y278 L285 L305 L330 A333 L334 | M271-V275 WeakPolarHBondContact O-CG2 3.21Å; M271-V275 PolarHBondContact O-N 3.34Å; F272-V275 PolarHBondContact O-N 3.43Å; S273-V275 VanDerWaalsContact C-N 3.3Å; S273-V275 PolarHBondContact O-N 2.97Å; V275-Y278 WeakPolarHBondContact O-CB 3.45Å; V275-Y278 PolarHBondContact O-N 3.26Å; V275-L285 HydrophobicContact CG2-CD2 4.41Å; V275-L305 HydrophobicContact CG2-CD2 4.5Å; V275-L330 HydrophobicContact CG1-CB 4.42Å; V275-L330 HydrophobicContact CG1-CD2 3.67Å; V275-L330 HydrophobicContact CG1-CG 3.96Å; V275-A333 HydrophobicContact CB-CB 4.3Å; V275-A333 HydrophobicContact CG1-CB 3.87Å; V275-A333 HydrophobicContact CG2-CB 4.2Å; V275-L334 HydrophobicContact CG2-CD2 4.41Å |
| 276 | I | 90.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 36.2 Ų | 36.2 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.2 | -28.2 | -178.5 | -66.4 | -61.7 | 0 | 0 | 0 | 112.5 | F272 S273 Y278 A326 | F272-I276 HydrophobicContact CD1-CG1 4.11Å; F272-I276 HydrophobicContact CD2-CG1 4.48Å; F272-I276 HydrophobicContact CE1-CG1 3.68Å; F272-I276 HydrophobicContact CE2-CD1 4.29Å; F272-I276 HydrophobicContact CE2-CG1 4.07Å; F272-I276 HydrophobicContact CZ-CD1 4.03Å; F272-I276 HydrophobicContact CZ-CG1 3.67Å; F272-I276 WeakPolarHBondContact O-CG1 3.39Å; F272-I276 PolarHBondContact O-N 2.93Å; S273-I276 PolarHBondContact O-N 3.4Å; S273-I276 VanDerWaalsContact O-N 3.12Å; I276-Y278 PolarHBondContact O-N 3.06Å; I276-A326 HydrophobicContact CD1-CB 3.75Å |
| 277 | E | 88.6 | Confident | 91.6 | Very high | 88 Ų | 88 | 35.5 Ų | 35.5 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 9 | 176.1 | -70.2 | -178 | -147.8 | 0 | 0 | 113.9 | Y216 S273 D280 S281 | Y216-E277 WeakPolarHBondContact CD2-OE2 3.28Å; Y216-E277 WeakPolarHBondContact CE2-OE1 3.48Å; Y216-E277 WeakPolarHBondContact CE2-OE2 3.27Å; S273-E277 WeakPolarHBondContact O-CG 3.28Å; S273-E277 PolarHBondContact O-N 3.41Å; E277-D280 PolarHBondContact O-N 2.97Å; E277-S281 PolarHBondContact O-N 3.17Å |
| 278 | Y | 88.8 | Confident | 91.7 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 18% | 0.184 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 135.4 | 168.7 | 178.8 | -83.3 | 0 | 0 | 0 | 110.1 | V275 I276 S281 V282 L285 Y329 R332 A333 L336 | V275-Y278 WeakPolarHBondContact O-CB 3.45Å; V275-Y278 PolarHBondContact O-N 3.26Å; I276-Y278 PolarHBondContact O-N 3.06Å; Y278-S281 PolarHBondContact N-OG 3.46Å; Y278-V282 HydrophobicContact CD2-CG2 3.89Å; Y278-V282 HydrophobicContact CE2-CG2 3.6Å; Y278-L285 HydrophobicContact CD2-CD1 4.08Å; Y278-Y329 AromaticContact CD1-CD1 3.93Å; Y278-Y329 HydrophobicContact CD1-CD1 3.93Å; Y278-R332 HydrophobicContact CD1-CB 4.28Å; Y278-R332 HydrophobicContact CE1-CB 3.83Å; Y278-R332 HydrophobicContact CE1-CG 4.36Å; Y278-R332 HydrophobicContact CE2-CB 4.06Å; Y278-A333 HydrophobicContact CD2-CB 4.35Å; Y278-L336 HydrophobicContact CD2-CD1 4.43Å; Y278-L336 HydrophobicContact CE2-CD1 3.91Å |
| 279 | P | 88.5 | Confident | 91.7 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 46% | 0.461 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | -5.6 | 12.4 | 36 | -36.8 | 0 | 0 | 0 | 116.3 | S281 V282 | P279-S281 PolarHBondContact O-N 2.93Å; P279-V282 HydrophobicContact CB-CG2 4.44Å; P279-V282 WeakPolarHBondContact O-CB 3Å; P279-V282 WeakPolarHBondContact O-CG2 3.27Å; P279-V282 PolarHBondContact O-N 3.36Å |
| 280 | D | 88.9 | Confident | 91.8 | Very high | 115 Ų | 115 | 32.5 Ų | 32.5 | 62% | 0.615 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.2 | -175.8 | -64.5 | -26.6 | 0 | 0 | 0 | 111.7 | T217 E277 V282 | T217-D280 WeakPolarHBondContact CA-O 3.39Å; T217-D280 HydrophobicContact CG2-CB 4.37Å; E277-D280 PolarHBondContact O-N 2.97Å; D280-V282 PolarHBondContact O-N 3.06Å |
| 281 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 7.2 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 116.2 | L274 E277 Y278 P279 A283 A284 L285 | L274-S281 WeakPolarHBondContact O-CB 3.43Å; L274-S281 PolarHBondContact O-OG 3.41Å; E277-S281 PolarHBondContact O-N 3.17Å; Y278-S281 PolarHBondContact N-OG 3.46Å; P279-S281 PolarHBondContact O-N 2.93Å; S281-A283 VanDerWaalsContact C-N 3.26Å; S281-A283 PolarHBondContact O-N 3.23Å; S281-A284 PolarHBondContact O-N 2.88Å; S281-L285 WeakPolarHBondContact O-CG 3.27Å; S281-L285 PolarHBondContact O-N 2.74Å |
| 282 | V | 93.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.4 | -40.4 | -176.5 | 164.6 | 0 | 0 | 0 | 0 | 112.8 | Y278 P279 D280 L285 M286 L336 | Y278-V282 HydrophobicContact CD2-CG2 3.89Å; Y278-V282 HydrophobicContact CE2-CG2 3.6Å; P279-V282 HydrophobicContact CB-CG2 4.44Å; P279-V282 WeakPolarHBondContact O-CB 3Å; P279-V282 WeakPolarHBondContact O-CG2 3.27Å; P279-V282 PolarHBondContact O-N 3.36Å; D280-V282 PolarHBondContact O-N 3.06Å; V282-L285 PolarHBondContact O-N 3.07Å; V282-M286 HydrophobicContact CG1-CE 3.86Å; V282-M286 HydrophobicContact CG1-SD 4.47Å; V282-M286 WeakPolarHBondContact O-CG 3.41Å; V282-M286 PolarHBondContact O-N 3.49Å; V282-L336 HydrophobicContact CB-CD1 4.43Å; V282-L336 HydrophobicContact CG1-CD1 4.16Å; V282-L336 HydrophobicContact CG2-CD1 3.9Å |
| 283 | A | 91.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T217 E218 R219 S281 M286 D287 | T217-A283 WeakPolarHBondContact O-CB 3.18Å; E218-A283 VanDerWaalsContact C-CB 3.48Å; R219-A283 HydrophobicContact CG-CB 3.71Å; S281-A283 VanDerWaalsContact C-N 3.26Å; S281-A283 PolarHBondContact O-N 3.23Å; A283-M286 PolarHBondContact O-N 2.86Å; A283-D287 PolarHBondContact O-N 3.38Å |
| 284 | A | 92.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y216 L274 S281 M286 D287 L288 | Y216-A284 WeakPolarHBondContact O-CB 3.3Å; Y216-A284 PolarHBondContact O-N 3.22Å; L274-A284 HydrophobicContact CD1-CB 4.15Å; L274-A284 HydrophobicContact CD2-CB 4.49Å; L274-A284 HydrophobicContact CG-CB 4.44Å; S281-A284 PolarHBondContact O-N 2.88Å; A284-M286 PolarHBondContact O-N 3.32Å; A284-D287 PolarHBondContact O-N 2.99Å; A284-L288 PolarHBondContact O-N 3.32Å |
| 285 | L | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 176 | -72.3 | 165.7 | 0 | 0 | 0 | 112.3 | L274 V275 Y278 S281 V282 D287 L288 G289 A333 L336 V337 | L274-L285 HydrophobicContact CD2-CB 4.44Å; L274-L285 HydrophobicContact CD2-CD1 4.4Å; L274-L285 HydrophobicContact CD2-CD2 3.14Å; L274-L285 HydrophobicContact CD2-CG 3.38Å; V275-L285 HydrophobicContact CG2-CD2 4.41Å; Y278-L285 HydrophobicContact CD2-CD1 4.08Å; S281-L285 WeakPolarHBondContact O-CG 3.27Å; S281-L285 PolarHBondContact O-N 2.74Å; V282-L285 PolarHBondContact O-N 3.07Å; L285-D287 VanDerWaalsContact C-N 3.33Å; L285-D287 PolarHBondContact O-N 2.88Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 PolarHBondContact O-N 3.16Å; L285-G289 PolarHBondContact O-N 3.1Å; L285-A333 HydrophobicContact CD1-CB 3.56Å; L285-A333 HydrophobicContact CD2-CB 4Å; L285-A333 HydrophobicContact CG-CB 4.47Å; L285-L336 HydrophobicContact CB-CB 4.33Å; L285-L336 HydrophobicContact CD1-CD1 4.28Å; L285-V337 HydrophobicContact CB-CG2 4.11Å; L285-V337 HydrophobicContact CD2-CG2 3.49Å; L285-V337 VanDerWaalsContact CD2-CG2 3.49Å; L285-V337 HydrophobicContact CG-CG2 4.43Å |
| 286 | M | 93.4 | Very high | 91.5 | Very high | 76 Ų | 76 | 45 Ų | 45 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.6 | -34.4 | 177.3 | -71.9 | -171.7 | 177.5 | 0 | 0 | 112.7 | R219 V282 A283 A284 G289 K290 L336 | R219-M286 PolarHBondContact NH1-SD 3.06Å; R219-M286 VanDerWaalsContact NH1-SD 3.41Å; V282-M286 HydrophobicContact CG1-CE 3.86Å; V282-M286 HydrophobicContact CG1-SD 4.47Å; V282-M286 WeakPolarHBondContact O-CG 3.41Å; V282-M286 PolarHBondContact O-N 3.49Å; A283-M286 PolarHBondContact O-N 2.86Å; A284-M286 PolarHBondContact O-N 3.32Å; M286-G289 PolarHBondContact O-N 3.01Å; M286-K290 PolarHBondContact O-N 3.08Å; M286-L336 HydrophobicContact CE-CD2 4.39Å |
| 287 | D | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.7 | -37.8 | 174.4 | -80.2 | -0.4 | 0 | 0 | 0 | 111.4 | R219 F220 L221 F263 A283 A284 L285 G289 K290 C291 | R219-D287 WeakPolarHBondContact CA-OD2 3.23Å; R219-D287 IonicContact CZ-OD1 2.75Å; R219-D287 VanDerWaalsContact CZ-OD1 3.24Å; R219-D287 IonicContact NE-OD1 2.65Å; R219-D287 PolarHBondContact NE-OD1 3.46Å; R219-D287 IonicContact NH2-OD1 3.77Å; R219-D287 PolarHBondContact NH2-OD1 3.47Å; F220-D287 PolarHBondContact N-OD2 3.43Å; L221-D287 HydrophobicContact CB-CB 3.84Å; L221-D287 VanDerWaalsContact CB-CG 3.46Å; L221-D287 VanDerWaalsContact CB-OD2 3.32Å; L221-D287 WeakPolarHBondContact CB-OD2 3.22Å; L221-D287 HydrophobicContact CD2-CB 4.11Å; L221-D287 WeakPolarHBondContact CD2-O 3.37Å; L221-D287 PolarHBondContact N-OD2 2.8Å; F263-D287 HydrophobicContact CE1-CB 3.87Å; F263-D287 HydrophobicContact CZ-CB 3.83Å; A283-D287 PolarHBondContact O-N 3.38Å; A284-D287 PolarHBondContact O-N 2.99Å; L285-D287 VanDerWaalsContact C-N 3.33Å; L285-D287 PolarHBondContact O-N 2.88Å; D287-G289 VanDerWaalsContact C-N 3.3Å; D287-G289 PolarHBondContact O-N 2.67Å; D287-K290 WeakPolarHBondContact O-CB 3.45Å; D287-K290 PolarHBondContact O-N 3.44Å; D287-C291 PolarHBondContact O-N 3.45Å; D287-C291 VanDerWaalsContact O-N 3.11Å; D287-C291 PolarHBondContact O-SG 2.65Å |
| 288 | L | 93.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 171.4 | -171.2 | 70.3 | 0 | 0 | 0 | 111.9 | Y264 M271 A284 L285 K290 C291 L292 V337 | Y264-L288 HydrophobicContact CD2-CD1 3.86Å; M271-L288 HydrophobicContact CE-CD2 3.34Å; M271-L288 HydrophobicContact SD-CD1 4.28Å; M271-L288 HydrophobicContact SD-CD2 3.52Å; M271-L288 VanDerWaalsContact SD-CD2 3.52Å; A284-L288 PolarHBondContact O-N 3.32Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 PolarHBondContact O-N 3.16Å; L288-K290 PolarHBondContact O-N 3.46Å; L288-C291 WeakPolarHBondContact O-CA 3.41Å; L288-C291 VanDerWaalsContact O-CB 3.29Å; L288-C291 WeakPolarHBondContact O-CB 3.38Å; L288-C291 PolarHBondContact O-N 3.03Å; L288-L292 PolarHBondContact O-N 3.01Å; L288-V337 HydrophobicContact CD2-CG1 3.88Å; L288-V337 HydrophobicContact CD2-CG2 4Å; L288-V337 HydrophobicContact CG-CG1 4.04Å |
| 289 | G | 92.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L285 M286 D287 C291 L292 D293 V337 | L285-G289 PolarHBondContact O-N 3.1Å; M286-G289 PolarHBondContact O-N 3.01Å; D287-G289 VanDerWaalsContact C-N 3.3Å; D287-G289 PolarHBondContact O-N 2.67Å; G289-C291 PolarHBondContact O-N 2.85Å; G289-L292 WeakPolarHBondContact O-CB 3.39Å; G289-L292 PolarHBondContact O-N 3.48Å; G289-D293 PolarHBondContact O-N 2.85Å; G289-D293 VanDerWaalsContact O-N 3.11Å; G289-V337 VanDerWaalsContact CA-O 3.23Å; G289-V337 WeakPolarHBondContact CA-O 3.46Å |
| 290 | K | 92.5 | Very high | 91.9 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.1 | -37.5 | 171.5 | -72.5 | 176.8 | 171.8 | 177.3 | 0 | 112 | L221 D222 M286 D287 L288 L292 D293 H294 | L221-K290 HydrophobicContact CD2-CB 3.71Å; L221-K290 HydrophobicContact CD2-CD 3.95Å; D222-K290 IonicContact OD1-NZ 3.66Å; D222-K290 PolarHBondContact OD1-NZ 3.32Å; D222-K290 IonicContact OD2-NZ 2.79Å; D222-K290 PolarHBondContact OD2-NZ 3.12Å; M286-K290 PolarHBondContact O-N 3.08Å; D287-K290 WeakPolarHBondContact O-CB 3.45Å; D287-K290 PolarHBondContact O-N 3.44Å; L288-K290 PolarHBondContact O-N 3.46Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-D293 PolarHBondContact O-N 3.47Å; K290-H294 PolarHBondContact O-CD2 3.05Å; K290-H294 PolarHBondContact O-N 3.25Å |
| 291 | C | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | Y260 D287 L288 G289 D293 H294 L295 I297 | Y260-C291 HydrophobicContact CD1-CB 4.5Å; D287-C291 PolarHBondContact O-N 3.45Å; D287-C291 VanDerWaalsContact O-N 3.11Å; D287-C291 PolarHBondContact O-SG 2.65Å; L288-C291 WeakPolarHBondContact O-CA 3.41Å; L288-C291 VanDerWaalsContact O-CB 3.29Å; L288-C291 WeakPolarHBondContact O-CB 3.38Å; L288-C291 PolarHBondContact O-N 3.03Å; G289-C291 PolarHBondContact O-N 2.85Å; C291-D293 VanDerWaalsContact C-N 3.34Å; C291-H294 PolarHBondContact O-N 3.31Å; C291-L295 VanDerWaalsContact O-CB 3.3Å; C291-L295 WeakPolarHBondContact O-CB 3.38Å; C291-L295 PolarHBondContact O-N 3.21Å; C291-I297 HydrophobicContact CB-CD1 4.39Å |
| 292 | L | 91.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -33.6 | 177.8 | -169 | 67.7 | 0 | 0 | 0 | 112.7 | L288 G289 K290 H294 L295 I297 R298 V337 D338 | L288-L292 PolarHBondContact O-N 3.01Å; G289-L292 WeakPolarHBondContact O-CB 3.39Å; G289-L292 PolarHBondContact O-N 3.48Å; K290-L292 VanDerWaalsContact C-N 3.33Å; L292-H294 VanDerWaalsContact C-N 3.32Å; L292-L295 VanDerWaalsContact O-O 3.08Å; L292-I297 HydrophobicContact CD1-CD1 4.45Å; L292-I297 HydrophobicContact CD1-CG1 3.83Å; L292-R298 HydrophobicContact CD1-CB 3.76Å; L292-R298 HydrophobicContact CD1-CG 4.2Å; L292-V337 HydrophobicContact CD2-CG1 4.4Å; L292-D338 HydrophobicContact CD2-CB 3.77Å |
| 293 | D | 89.6 | Confident | 92.1 | Very high | 113 Ų | 113 | 39.2 Ų | 39.2 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -68.1 | -31.8 | 176.3 | -73.4 | -24.4 | 0 | 0 | 0 | 112.5 | G289 K290 C291 | G289-D293 PolarHBondContact O-N 2.85Å; G289-D293 VanDerWaalsContact O-N 3.11Å; K290-D293 PolarHBondContact O-N 3.47Å; C291-D293 VanDerWaalsContact C-N 3.34Å |
| 294 | H | 90.4 | Very high | 92.3 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 51% | 0.514 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -98.2 | -14.5 | -176.4 | -68.9 | -60.9 | 0 | 0 | 0 | 114.5 | Y260 K290 C291 L292 | Y260-H294 HydrophobicContact CD2-CB 3.65Å; Y260-H294 AromaticContact CE1-CD2 3.79Å; Y260-H294 HydrophobicContact CE2-CB 3.8Å; Y260-H294 AromaticContact CE2-CD2 3.54Å; Y260-H294 AromaticContact CE2-CG 3.65Å; Y260-H294 HydrophobicContact CG-CB 4.16Å; Y260-H294 AromaticContact CZ-CD2 3.32Å; Y260-H294 AromaticContact CZ-CG 3.94Å; Y260-H294 AromaticContact CZ-NE2 3.89Å; Y260-H294 PolarHBondContact OH-CD2 2.98Å; K290-H294 PolarHBondContact O-CD2 3.05Å; K290-H294 PolarHBondContact O-N 3.25Å; C291-H294 PolarHBondContact O-N 3.31Å; L292-H294 VanDerWaalsContact C-N 3.32Å |
| 295 | L | 91.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -127.7 | 144.3 | -175.8 | -63 | 174.3 | 0 | 0 | 0 | 113 | E257 K261 C291 L292 I297 | E257-L295 HydrophobicContact CG-CD2 3.43Å; E257-L295 VanDerWaalsContact CG-CD2 3.43Å; K261-L295 HydrophobicContact CB-CD1 4.16Å; C291-L295 VanDerWaalsContact O-CB 3.3Å; C291-L295 WeakPolarHBondContact O-CB 3.38Å; C291-L295 PolarHBondContact O-N 3.21Å; L292-L295 VanDerWaalsContact O-O 3.08Å; L295-I297 HydrophobicContact CB-CB 4.43Å; L295-I297 HydrophobicContact CB-CD1 4.25Å; L295-I297 HydrophobicContact CB-CG1 3.93Å; L295-I297 HydrophobicContact CB-CG2 3.88Å; L295-I297 HydrophobicContact CD1-CD1 4.27Å; L295-I297 HydrophobicContact CD1-CG2 4.25Å; L295-I297 PolarHBondContact O-N 3.33Å |
| 296 | P | 90.3 | Very high | 92.5 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 83% | 0.825 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -79.4 | 52.1 | 173.9 | 35.1 | -36.6 | 0 | 0 | 0 | 112.3 | ||
| 297 | I | 91 | Very high | 92.5 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | trans | -98 | -3.3 | -175.6 | 54.5 | 170.8 | 0 | 0 | 0 | 114 | Y264 C291 L292 L295 Q299 D300 L301 | Y264-I297 HydrophobicContact CD1-CB 4.36Å; Y264-I297 HydrophobicContact CD1-CD1 4.07Å; Y264-I297 HydrophobicContact CD1-CG2 3.97Å; Y264-I297 HydrophobicContact CD2-CD1 3.41Å; Y264-I297 VanDerWaalsContact CD2-CD1 3.41Å; Y264-I297 HydrophobicContact CE1-CB 4.1Å; Y264-I297 HydrophobicContact CE1-CD1 4.4Å; Y264-I297 HydrophobicContact CE1-CG2 3.99Å; Y264-I297 HydrophobicContact CE2-CD1 3.8Å; Y264-I297 HydrophobicContact CG-CD1 3.54Å; C291-I297 HydrophobicContact CB-CD1 4.39Å; L292-I297 HydrophobicContact CD1-CD1 4.45Å; L292-I297 HydrophobicContact CD1-CG1 3.83Å; L295-I297 HydrophobicContact CB-CB 4.43Å; L295-I297 HydrophobicContact CB-CD1 4.25Å; L295-I297 HydrophobicContact CB-CG1 3.93Å; L295-I297 HydrophobicContact CB-CG2 3.88Å; L295-I297 HydrophobicContact CD1-CD1 4.27Å; L295-I297 HydrophobicContact CD1-CG2 4.25Å; L295-I297 PolarHBondContact O-N 3.33Å; I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.95Å; I297-D300 PolarHBondContact O-N 2.97Å; I297-D300 VanDerWaalsContact O-N 3.08Å; I297-L301 PolarHBondContact O-N 3.19Å | ||
| 298 | R | 90.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.6 | -45.2 | -173 | -166.6 | 179.8 | -66.6 | 121.1 | 3.3 | 113.2 | L292 L301 I302 V343 P449 E451 | L292-R298 HydrophobicContact CD1-CB 3.76Å; L292-R298 HydrophobicContact CD1-CG 4.2Å; R298-L301 PolarHBondContact O-N 3.48Å; R298-I302 HydrophobicContact CG-CD1 4.04Å; R298-I302 WeakPolarHBondContact O-CD1 3.37Å; R298-I302 VanDerWaalsContact O-CG1 3.27Å; R298-I302 WeakPolarHBondContact O-CG1 3.38Å; R298-I302 PolarHBondContact O-N 2.74Å; R298-V343 HydrophobicContact CG-CG2 3.73Å; R298-P449 VanDerWaalsContact NH1-CB 3.35Å; R298-E451 IonicContact CZ-OE2 3.44Å; R298-E451 IonicContact NH1-OE1 3.47Å; R298-E451 IonicContact NH1-OE2 2.68Å; R298-E451 PolarHBondContact NH1-OE2 3.21Å |
| 299 | Q | 90.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.6 | -41.7 | -179.3 | -173 | 61.1 | 28.3 | 0 | 0 | 112.4 | I297 L301 I302 T303 | I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.95Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; Q299-I302 PolarHBondContact O-N 3Å; Q299-T303 PolarHBondContact O-N 3.12Å; Q299-T303 PolarHBondContact O-OG1 2.96Å; Q299-T303 VanDerWaalsContact O-OG1 3.09Å |
| 300 | D | 93.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.6 | -177.7 | 61 | 0 | 0 | 0 | 111.1 | Y264 K268 I297 T303 H304 | Y264-D300 VanDerWaalsContact CE1-OD2 3.3Å; Y264-D300 WeakPolarHBondContact CE1-OD2 3.42Å; Y264-D300 PolarHBondContact OH-OD2 3.25Å; K268-D300 WeakPolarHBondContact CE-OD2 3.48Å; K268-D300 IonicContact NZ-OD1 3.69Å; K268-D300 PolarHBondContact NZ-OD1 3.02Å; K268-D300 IonicContact NZ-OD2 2.92Å; K268-D300 PolarHBondContact NZ-OD2 3.14Å; I297-D300 PolarHBondContact O-N 2.97Å; I297-D300 VanDerWaalsContact O-N 3.08Å; D300-T303 WeakPolarHBondContact CA-OG1 3.35Å; D300-T303 PolarHBondContact O-N 3.22Å; D300-T303 PolarHBondContact O-OG1 3.32Å; D300-H304 WeakPolarHBondContact O-CB 3.1Å; D300-H304 PolarHBondContact O-N 2.63Å |
| 301 | L | 93.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 173.7 | 171.8 | 60.9 | 0 | 0 | 0 | 111.4 | Y264 M271 I297 R298 Q299 T303 H304 L305 V337 V343 | Y264-L301 HydrophobicContact CE2-CB 4.41Å; Y264-L301 PolarHBondContact OH-N 2.95Å; M271-L301 HydrophobicContact CE-CD1 3.67Å; M271-L301 HydrophobicContact CG-CD1 4.36Å; M271-L301 HydrophobicContact SD-CD1 4.26Å; I297-L301 PolarHBondContact O-N 3.19Å; R298-L301 PolarHBondContact O-N 3.48Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; L301-T303 PolarHBondContact O-N 2.79Å; L301-H304 PolarHBondContact O-N 3.5Å; L301-L305 HydrophobicContact CD1-CB 4.46Å; L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 PolarHBondContact O-N 3.17Å; L301-V337 HydrophobicContact CD2-CG1 4.17Å; L301-V343 HydrophobicContact CD2-CG1 4.1Å; L301-V343 HydrophobicContact CD2-CG2 4.32Å; L301-V343 HydrophobicContact CG-CG1 4.26Å |
| 302 | I | 92.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 178.7 | -72.3 | 162.8 | 0 | 0 | 0 | 110.6 | R298 Q299 T306 V343 I346 | R298-I302 HydrophobicContact CG-CD1 4.04Å; R298-I302 WeakPolarHBondContact O-CD1 3.37Å; R298-I302 VanDerWaalsContact O-CG1 3.27Å; R298-I302 WeakPolarHBondContact O-CG1 3.38Å; R298-I302 PolarHBondContact O-N 2.74Å; Q299-I302 PolarHBondContact O-N 3Å; I302-T306 WeakPolarHBondContact O-CB 3.45Å; I302-T306 PolarHBondContact O-N 3.32Å; I302-T306 PolarHBondContact O-OG1 3.24Å; I302-V343 HydrophobicContact CD1-CG2 4.17Å; I302-V343 HydrophobicContact CG1-CB 4.29Å; I302-V343 HydrophobicContact CG1-CG1 4.07Å; I302-V343 HydrophobicContact CG1-CG2 3.97Å; I302-I346 HydrophobicContact CD1-CD1 3.92Å; I302-I346 HydrophobicContact CD1-CG1 4.04Å; I302-I346 HydrophobicContact CG1-CG1 4.45Å; I302-I346 HydrophobicContact CG2-CB 3.97Å; I302-I346 HydrophobicContact CG2-CD1 4.36Å; I302-I346 HydrophobicContact CG2-CG1 4.34Å; I302-I346 HydrophobicContact CG2-CG2 3.63Å |
| 303 | T | 93.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -49.1 | -178.4 | 46 | 0 | 0 | 0 | 0 | 111.3 | Q299 D300 L301 T306 E307 | Q299-T303 PolarHBondContact O-N 3.12Å; Q299-T303 PolarHBondContact O-OG1 2.96Å; Q299-T303 VanDerWaalsContact O-OG1 3.09Å; D300-T303 WeakPolarHBondContact CA-OG1 3.35Å; D300-T303 PolarHBondContact O-N 3.22Å; D300-T303 PolarHBondContact O-OG1 3.32Å; L301-T303 PolarHBondContact O-N 2.79Å; T303-T306 PolarHBondContact O-N 3.3Å; T303-E307 WeakPolarHBondContact O-CG 3.31Å; T303-E307 PolarHBondContact O-N 3Å; T303-E307 VanDerWaalsContact O-N 3.15Å |
| 304 | H | 94.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | -175.4 | -172.1 | 53.6 | 0 | 0 | 0 | 111.9 | K268 D300 L301 T306 E307 E308 | K268-H304 PolarHBondContact O-CD2 3.44Å; K268-H304 PolarHBondContact O-NE2 3.08Å; D300-H304 WeakPolarHBondContact O-CB 3.1Å; D300-H304 PolarHBondContact O-N 2.63Å; L301-H304 PolarHBondContact O-N 3.5Å; H304-T306 PolarHBondContact O-N 2.72Å; H304-E307 PolarHBondContact O-N 3.07Å; H304-E308 PolarHBondContact O-N 3.46Å; H304-E308 VanDerWaalsContact O-N 3.08Å |
| 305 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.1 | -34.7 | -179.1 | -173.1 | 61.3 | 0 | 0 | 0 | 112.2 | M271 F272 V275 L301 E307 E308 V309 L334 V347 | M271-L305 HydrophobicContact CB-CD1 4.35Å; F272-L305 HydrophobicContact CB-CD1 4.34Å; V275-L305 HydrophobicContact CG2-CD2 4.5Å; L301-L305 HydrophobicContact CD1-CB 4.46Å; L301-L305 VanDerWaalsContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 PolarHBondContact O-N 3.17Å; L305-E307 VanDerWaalsContact C-N 3.34Å; L305-E308 PolarHBondContact O-N 3.28Å; L305-V309 HydrophobicContact CD1-CG2 4.37Å; L305-V309 HydrophobicContact CG-CG2 4.39Å; L305-V309 WeakPolarHBondContact O-CB 3.47Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.71Å; L305-L334 HydrophobicContact CD2-CD1 4.2Å; L305-L334 HydrophobicContact CD2-CD2 3.68Å; L305-L334 HydrophobicContact CD2-CG 4.49Å; L305-V347 HydrophobicContact CB-CG2 4.4Å; L305-V347 HydrophobicContact CD2-CG1 3.95Å; L305-V347 HydrophobicContact CD2-CG2 4.22Å; L305-V347 HydrophobicContact CG-CG1 3.9Å; L305-V347 HydrophobicContact CG-CG2 4.42Å |
| 306 | T | 94.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 14% | 0.135 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | I302 T303 H304 Q310 P350 | I302-T306 WeakPolarHBondContact O-CB 3.45Å; I302-T306 PolarHBondContact O-N 3.32Å; I302-T306 PolarHBondContact O-OG1 3.24Å; T303-T306 PolarHBondContact O-N 3.3Å; H304-T306 PolarHBondContact O-N 2.72Å; T306-Q310 WeakPolarHBondContact O-CG 3.37Å; T306-Q310 PolarHBondContact O-N 2.95Å; T306-P350 HydrophobicContact CG2-CG 4.11Å |
| 307 | E | 95 | Very high | 92.5 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.3 | -73 | 172.2 | -176.2 | 0 | 0 | 111.5 | T303 H304 L305 V309 Q310 Q311 | T303-E307 WeakPolarHBondContact O-CG 3.31Å; T303-E307 PolarHBondContact O-N 3Å; T303-E307 VanDerWaalsContact O-N 3.15Å; H304-E307 PolarHBondContact O-N 3.07Å; L305-E307 VanDerWaalsContact C-N 3.34Å; E307-V309 PolarHBondContact O-N 3.32Å; E307-Q310 PolarHBondContact O-N 2.96Å; E307-Q311 WeakPolarHBondContact O-CG 3.41Å; E307-Q311 PolarHBondContact O-N 3.43Å |
| 308 | E | 94.9 | Very high | 92.4 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.4 | -75.5 | -66.8 | 119.7 | 0 | 0 | 112.1 | F272 H304 L305 Q310 Q311 R312 | F272-E308 HydrophobicContact CB-CB 4.01Å; F272-E308 HydrophobicContact CB-CG 4.48Å; F272-E308 HydrophobicContact CD2-CB 4.47Å; F272-E308 HydrophobicContact CG-CB 4.5Å; H304-E308 PolarHBondContact O-N 3.46Å; H304-E308 VanDerWaalsContact O-N 3.08Å; L305-E308 PolarHBondContact O-N 3.28Å; E308-Q310 VanDerWaalsContact C-N 3.35Å; E308-Q310 PolarHBondContact O-N 3.27Å; E308-Q311 PolarHBondContact O-N 3.39Å; E308-R312 WeakPolarHBondContact O-CB 3.28Å; E308-R312 PolarHBondContact O-N 3.43Å; E308-R312 WeakPolarHBondContact OE2-CD 3.45Å; E308-R312 IonicContact OE2-NH1 3.28Å; E308-R312 PolarHBondContact OE2-NH1 3.37Å |
| 309 | V | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 177 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | F272 L305 E307 L313 L314 L330 V347 V351 | F272-V309 HydrophobicContact CD2-CG2 4.02Å; F272-V309 HydrophobicContact CE2-CG2 4.18Å; L305-V309 HydrophobicContact CD1-CG2 4.37Å; L305-V309 HydrophobicContact CG-CG2 4.39Å; L305-V309 WeakPolarHBondContact O-CB 3.47Å; L305-V309 VanDerWaalsContact O-CG2 3.24Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 2.71Å; E307-V309 PolarHBondContact O-N 3.32Å; V309-L313 HydrophobicContact CG1-CB 4.44Å; V309-L313 HydrophobicContact CG1-CD2 4.26Å; V309-L313 WeakPolarHBondContact O-CA 3.4Å; V309-L313 VanDerWaalsContact O-CB 3.27Å; V309-L313 WeakPolarHBondContact O-CB 3.3Å; V309-L313 PolarHBondContact O-N 3.27Å; V309-L314 HydrophobicContact CG1-CD1 4.4Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; V309-L314 PolarHBondContact O-N 2.95Å; V309-L330 HydrophobicContact CG2-CD1 4.3Å; V309-L330 HydrophobicContact CG2-CD2 4.01Å; V309-V347 HydrophobicContact CG2-CG1 4.04Å; V309-V351 HydrophobicContact CG1-CG2 3.54Å |
| 310 | Q | 93.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 178.3 | -76 | 179.4 | -8.4 | 0 | 0 | 112.6 | T306 E307 E308 L314 P350 | T306-Q310 WeakPolarHBondContact O-CG 3.37Å; T306-Q310 PolarHBondContact O-N 2.95Å; E307-Q310 PolarHBondContact O-N 2.96Å; E308-Q310 VanDerWaalsContact C-N 3.35Å; E308-Q310 PolarHBondContact O-N 3.27Å; Q310-L314 HydrophobicContact CG-CD1 4.08Å; Q310-P350 HydrophobicContact CG-CB 4.25Å |
| 311 | Q | 92.6 | Very high | 92.2 | Very high | 142 Ų | 142 | 58.3 Ų | 58.3 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -74.2 | -41.9 | -177.5 | -69 | -171.7 | 13.5 | 0 | 0 | 112.9 | E307 E308 | E307-Q311 WeakPolarHBondContact O-CG 3.41Å; E307-Q311 PolarHBondContact O-N 3.43Å; E308-Q311 PolarHBondContact O-N 3.39Å |
| 312 | R | 93.1 | Very high | 92 | Very high | 114 Ų | 114 | 63.4 Ų | 63.4 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -96.5 | -28.7 | -169.8 | -62.2 | 176.8 | 66.2 | -179.7 | -2 | 114.2 | F272 E308 H315 | F272-R312 HydrophobicContact CE1-CB 4.25Å; F272-R312 HydrophobicContact CZ-CB 4.18Å; E308-R312 WeakPolarHBondContact O-CB 3.28Å; E308-R312 PolarHBondContact O-N 3.43Å; E308-R312 WeakPolarHBondContact OE2-CD 3.45Å; E308-R312 IonicContact OE2-NH1 3.28Å; E308-R312 PolarHBondContact OE2-NH1 3.37Å; R312-H315 PolarHBondContact O-CD2 2.93Å; R312-H315 PolarHBondContact O-NE2 3.26Å |
| 313 | L | 93 | Very high | 92 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -33.7 | -175.5 | -172.5 | 67.4 | 0 | 0 | 0 | 113.5 | F272 V309 H315 V318 A326 L330 V351 | F272-L313 HydrophobicContact CE2-CB 4.33Å; F272-L313 HydrophobicContact CZ-CB 4.43Å; V309-L313 HydrophobicContact CG1-CB 4.44Å; V309-L313 HydrophobicContact CG1-CD2 4.26Å; V309-L313 WeakPolarHBondContact O-CA 3.4Å; V309-L313 VanDerWaalsContact O-CB 3.27Å; V309-L313 WeakPolarHBondContact O-CB 3.3Å; V309-L313 PolarHBondContact O-N 3.27Å; L313-H315 PolarHBondContact O-N 3.41Å; L313-V318 VanDerWaalsContact O-CG2 3.3Å; L313-V318 WeakPolarHBondContact O-CG2 3.25Å; L313-A326 HydrophobicContact CD1-CB 3.53Å; L313-A326 HydrophobicContact CD2-CB 3.63Å; L313-A326 HydrophobicContact CG-CB 4.24Å; L313-L330 HydrophobicContact CD2-CD1 4.14Å; L313-V351 HydrophobicContact CD2-CG1 4.46Å; L313-V351 HydrophobicContact CD2-CG2 4.32Å |
| 314 | L | 91.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -95 | 24.2 | -168.1 | -56.8 | -175.3 | 0 | 0 | 0 | 114.7 | V309 Q310 P350 V351 C354 | V309-L314 HydrophobicContact CG1-CD1 4.4Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; V309-L314 PolarHBondContact O-N 2.95Å; Q310-L314 HydrophobicContact CG-CD1 4.08Å; L314-P350 HydrophobicContact CD1-CB 3.58Å; L314-V351 HydrophobicContact CD2-CB 4.37Å; L314-V351 HydrophobicContact CD2-CG1 4.31Å; L314-V351 HydrophobicContact CD2-CG2 4.2Å; L314-C354 HydrophobicContact CD2-CB 3.86Å |
| 315 | H | 89 | Confident | 91.6 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -84.6 | 147.4 | 174.2 | 62.2 | 82.9 | 0 | 0 | 0 | 112 | R312 L313 G317 V318 | R312-H315 PolarHBondContact O-CD2 2.93Å; R312-H315 PolarHBondContact O-NE2 3.26Å; L313-H315 PolarHBondContact O-N 3.41Å; H315-G317 PolarHBondContact O-N 2.8Å; H315-V318 WeakPolarHBondContact CE1-CG2 3.47Å; H315-V318 WeakPolarHBondContact ND1-CG2 3.36Å; H315-V318 VanDerWaalsContact NE2-CG2 3.27Å; H315-V318 WeakPolarHBondContact NE2-CG2 3.18Å; H315-V318 PolarHBondContact O-N 3.36Å; H315-V318 VanDerWaalsContact O-N 3.09Å |
| 316 | P | 86.8 | Confident | 91.4 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 85% | 0.851 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.6 | -175.6 | -26.8 | 34.8 | 0 | 0 | 0 | 115.4 | V318 | P316-V318 VanDerWaalsContact C-N 3.32Å; P316-V318 PolarHBondContact O-N 3.05Å |
| 317 | G | 87.2 | Confident | 91.2 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 63% | 0.629 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -12.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H315 | H315-G317 PolarHBondContact O-N 2.8Š|
| 318 | V | 90.9 | Very high | 91 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -77.5 | 135.5 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | L313 H315 P316 Q322 I323 R358 | L313-V318 VanDerWaalsContact O-CG2 3.3Å; L313-V318 WeakPolarHBondContact O-CG2 3.25Å; H315-V318 WeakPolarHBondContact CE1-CG2 3.47Å; H315-V318 WeakPolarHBondContact ND1-CG2 3.36Å; H315-V318 VanDerWaalsContact NE2-CG2 3.27Å; H315-V318 WeakPolarHBondContact NE2-CG2 3.18Å; H315-V318 PolarHBondContact O-N 3.36Å; H315-V318 VanDerWaalsContact O-N 3.09Å; P316-V318 VanDerWaalsContact C-N 3.32Å; P316-V318 PolarHBondContact O-N 3.05Å; V318-Q322 HydrophobicContact CG1-CB 3.75Å; V318-I323 HydrophobicContact CB-CD1 4.29Å; V318-I323 HydrophobicContact CB-CG1 4.1Å; V318-I323 HydrophobicContact CG1-CD1 4.35Å; V318-I323 HydrophobicContact CG1-CG1 3.64Å; V318-R358 PolarHBondContact O-NH1 3.31Å; V318-R358 PolarHBondContact O-NH2 2.95Å |
| 319 | H | 90.3 | Very high | 90.8 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | trans | -72.2 | 145.6 | 174.6 | -68.9 | -73 | 0 | 0 | 0 | 111.6 | E321 Q322 I323 | H319-E321 PolarHBondContact O-N 3.18Å; H319-E321 VanDerWaalsContact O-N 3.15Å; H319-Q322 HydrophobicContact CB-CG 4.49Å; H319-Q322 WeakPolarHBondContact O-CB 3.11Å; H319-Q322 PolarHBondContact O-N 3.35Å; H319-I323 PolarHBondContact O-N 3.3Å | ||
| 320 | T | 91.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.6 | -37.3 | -178.6 | -45.2 | 0 | 0 | 0 | 0 | 112.4 | Q322 I323 L324 L355 R358 D360 A361 C364 | T320-Q322 VanDerWaalsContact C-N 3.34Å; T320-Q322 PolarHBondContact O-N 2.68Å; T320-I323 PolarHBondContact O-N 3.5Å; T320-L324 HydrophobicContact CG2-CD1 4.42Å; T320-L324 WeakPolarHBondContact O-CG 3.06Å; T320-L324 PolarHBondContact O-N 3.05Å; T320-L355 HydrophobicContact CG2-CD2 4.39Å; T320-R358 PolarHBondContact OG1-NE 2.88Å; T320-R358 PolarHBondContact OG1-NH2 2.9Å; T320-D360 WeakPolarHBondContact CB-OD2 3.27Å; T320-D360 VanDerWaalsContact OG1-CG 3.27Å; T320-D360 PolarHBondContact OG1-OD1 3.31Å; T320-D360 PolarHBondContact OG1-OD2 3.04Å; T320-A361 HydrophobicContact CG2-CB 3.64Å; T320-C364 HydrophobicContact CG2-CB 4.33Å |
| 321 | E | 87.5 | Confident | 90.5 | Very high | 119 Ų | 119 | 50.7 Ų | 50.7 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 177.7 | -71.3 | -179.7 | -170.1 | 0 | 0 | 113.5 | H319 L324 A325 C364 K368 | H319-E321 PolarHBondContact O-N 3.18Å; H319-E321 VanDerWaalsContact O-N 3.15Å; E321-L324 PolarHBondContact O-N 3.42Å; E321-A325 PolarHBondContact O-N 3.45Å; E321-C364 WeakPolarHBondContact CG-SG 3.32Å; E321-K368 PolarHBondContact O-NZ 3.05Å |
| 322 | Q | 90.2 | Very high | 90.3 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.8 | -39.6 | 178.9 | -67.1 | 173.4 | -28.7 | 0 | 0 | 110.5 | V318 H319 T320 L324 A325 A326 | V318-Q322 HydrophobicContact CG1-CB 3.75Å; H319-Q322 HydrophobicContact CB-CG 4.49Å; H319-Q322 WeakPolarHBondContact O-CB 3.11Å; H319-Q322 PolarHBondContact O-N 3.35Å; T320-Q322 VanDerWaalsContact C-N 3.34Å; T320-Q322 PolarHBondContact O-N 2.68Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.5Å; Q322-A325 PolarHBondContact O-N 2.91Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å; Q322-A326 PolarHBondContact O-N 3.31Å |
| 323 | I | 92.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.7 | -58.4 | 175.7 | 0 | 0 | 0 | 110.3 | V318 H319 T320 A326 Y327 V351 L355 | V318-I323 HydrophobicContact CB-CD1 4.29Å; V318-I323 HydrophobicContact CB-CG1 4.1Å; V318-I323 HydrophobicContact CG1-CD1 4.35Å; V318-I323 HydrophobicContact CG1-CG1 3.64Å; H319-I323 PolarHBondContact O-N 3.3Å; T320-I323 PolarHBondContact O-N 3.5Å; I323-A326 PolarHBondContact O-N 3.42Å; I323-Y327 VanDerWaalsContact O-CB 3.27Å; I323-Y327 WeakPolarHBondContact O-CB 3.4Å; I323-Y327 PolarHBondContact O-N 2.56Å; I323-V351 HydrophobicContact CG2-CG1 3.73Å; I323-L355 HydrophobicContact CB-CD2 4.26Å; I323-L355 HydrophobicContact CG2-CD1 4.5Å; I323-L355 HydrophobicContact CG2-CD2 3.73Å; I323-L355 HydrophobicContact CG2-CG 4Å |
| 324 | L | 90.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 177.5 | -72.4 | 171.7 | 0 | 0 | 0 | 112.7 | T320 E321 Q322 Y327 N328 L355 C364 I365 L469 | T320-L324 HydrophobicContact CG2-CD1 4.42Å; T320-L324 WeakPolarHBondContact O-CG 3.06Å; T320-L324 PolarHBondContact O-N 3.05Å; E321-L324 PolarHBondContact O-N 3.42Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.5Å; L324-Y327 PolarHBondContact O-N 2.97Å; L324-N328 PolarHBondContact O-N 2.93Å; L324-L355 HydrophobicContact CD2-CD1 3.81Å; L324-L355 HydrophobicContact CD2-CD2 3.8Å; L324-L355 HydrophobicContact CD2-CG 4.47Å; L324-L355 HydrophobicContact CG-CD2 4.08Å; L324-C364 HydrophobicContact CD1-CB 4Å; L324-I365 HydrophobicContact CD1-CG1 3.65Å; L324-I365 HydrophobicContact CD2-CD1 3.94Å; L324-I365 HydrophobicContact CD2-CG1 3.62Å; L324-I365 HydrophobicContact CG-CG1 4.31Å; L324-L469 HydrophobicContact CD2-CD2 4.03Å |
| 325 | A | 88.8 | Confident | 90.2 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -48.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E321 Q322 Y327 N328 Y329 | E321-A325 PolarHBondContact O-N 3.45Å; Q322-A325 PolarHBondContact O-N 2.91Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 3.15Å; A325-N328 WeakPolarHBondContact O-CB 3.43Å; A325-N328 PolarHBondContact O-N 2.96Å; A325-Y329 HydrophobicContact CB-CE2 4.43Å; A325-Y329 WeakPolarHBondContact O-CD2 3.43Å; A325-Y329 PolarHBondContact O-N 2.81Å |
| 326 | A | 91.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 39 Ų | 39 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I276 L313 Q322 I323 Y329 L330 | I276-A326 HydrophobicContact CD1-CB 3.75Å; L313-A326 HydrophobicContact CD1-CB 3.53Å; L313-A326 HydrophobicContact CD2-CB 3.63Å; L313-A326 HydrophobicContact CG-CB 4.24Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å; Q322-A326 PolarHBondContact O-N 3.31Å; I323-A326 PolarHBondContact O-N 3.42Å; A326-Y329 PolarHBondContact O-N 3.14Å; A326-L330 WeakPolarHBondContact O-CB 3.24Å; A326-L330 WeakPolarHBondContact O-CD1 3.14Å; A326-L330 WeakPolarHBondContact O-CG 3.37Å; A326-L330 PolarHBondContact O-N 3.4Å |
| 327 | Y | 91.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.3 | -173.6 | -101.9 | 0 | 0 | 0 | 112.1 | I323 L324 A325 L330 V331 C348 V351 S352 L355 L465 M468 L469 I472 | I323-Y327 VanDerWaalsContact O-CB 3.27Å; I323-Y327 WeakPolarHBondContact O-CB 3.4Å; I323-Y327 PolarHBondContact O-N 2.56Å; L324-Y327 PolarHBondContact O-N 2.97Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 3.15Å; Y327-L330 PolarHBondContact O-N 2.65Å; Y327-V331 HydrophobicContact CD1-CG2 4.23Å; Y327-V331 HydrophobicContact CE1-CG2 3.94Å; Y327-V331 WeakPolarHBondContact O-CB 3.44Å; Y327-V331 VanDerWaalsContact O-CG2 3.3Å; Y327-V331 WeakPolarHBondContact O-CG2 3.47Å; Y327-V331 PolarHBondContact O-N 3.31Å; Y327-C348 HydrophobicContact CE2-CB 3.76Å; Y327-V351 HydrophobicContact CD2-CB 3.83Å; Y327-V351 HydrophobicContact CD2-CG1 3.55Å; Y327-V351 HydrophobicContact CE2-CB 4.24Å; Y327-V351 HydrophobicContact CE2-CG1 4.35Å; Y327-V351 HydrophobicContact CG-CG1 4.32Å; Y327-S352 PolarHBondContact OH-OG 3.46Å; Y327-L355 HydrophobicContact CD2-CD1 4.49Å; Y327-L355 HydrophobicContact CG-CD1 4.39Å; Y327-L465 HydrophobicContact CD1-CD1 4Å; Y327-L465 HydrophobicContact CE1-CD1 4.02Å; Y327-M468 HydrophobicContact CE1-CG 4.39Å; Y327-M468 HydrophobicContact CE1-SD 4.39Å; Y327-M468 WeakPolarHBondContact OH-CG 3.41Å; Y327-M468 PolarHBondContact OH-SD 3.5Å; Y327-L469 HydrophobicContact CD1-CD2 3.65Å; Y327-L469 HydrophobicContact CD1-CG 4.34Å; Y327-L469 HydrophobicContact CE1-CD2 3.62Å; Y327-L469 HydrophobicContact CE1-CG 4.11Å; Y327-I472 HydrophobicContact CE1-CD1 4.37Å |
| 328 | N | 89.1 | Confident | 90.7 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 174.1 | 171.2 | 31.8 | 0 | 0 | 0 | 111.2 | L324 A325 L330 V331 R332 E393 L465 | L324-N328 PolarHBondContact O-N 2.93Å; A325-N328 WeakPolarHBondContact O-CB 3.43Å; A325-N328 PolarHBondContact O-N 2.96Å; N328-L330 PolarHBondContact O-N 3.27Å; N328-V331 PolarHBondContact O-N 2.92Å; N328-R332 WeakPolarHBondContact O-CG 3.46Å; N328-R332 PolarHBondContact O-N 3.4Å; N328-R332 VanDerWaalsContact OD1-CD 3.23Å; N328-R332 WeakPolarHBondContact OD1-CD 3.23Å; N328-R332 PolarHBondContact OD1-NE 2.96Å; N328-E393 WeakPolarHBondContact ND2-CB 3.39Å; N328-E393 PolarHBondContact ND2-OE2 2.96Å; N328-L465 HydrophobicContact CB-CD2 3.92Å; N328-L465 WeakPolarHBondContact OD1-CD2 3.48Å |
| 329 | Y | 90.9 | Very high | 90.3 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.4 | -56.5 | -31 | 0 | 0 | 0 | 112.7 | Y278 A325 A326 V331 R332 A333 E393 | Y278-Y329 AromaticContact CD1-CD1 3.93Å; Y278-Y329 HydrophobicContact CD1-CD1 3.93Å; A325-Y329 HydrophobicContact CB-CE2 4.43Å; A325-Y329 WeakPolarHBondContact O-CD2 3.43Å; A325-Y329 PolarHBondContact O-N 2.81Å; A326-Y329 PolarHBondContact O-N 3.14Å; Y329-V331 VanDerWaalsContact C-N 3.33Å; Y329-V331 PolarHBondContact O-N 3.11Å; Y329-R332 PolarHBondContact O-N 2.92Å; Y329-A333 WeakPolarHBondContact O-CB 3.41Å; Y329-A333 PolarHBondContact O-N 2.91Å; Y329-E393 WeakPolarHBondContact CE1-OE1 3.36Å; Y329-E393 WeakPolarHBondContact CE1-OE2 3.27Å |
| 330 | L | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.4 | -47.8 | 174.1 | -82.1 | 160.4 | 0 | 0 | 0 | 111.6 | V275 V309 L313 A326 Y327 N328 L334 V347 V351 | V275-L330 HydrophobicContact CG1-CB 4.42Å; V275-L330 HydrophobicContact CG1-CD2 3.67Å; V275-L330 HydrophobicContact CG1-CG 3.96Å; V309-L330 HydrophobicContact CG2-CD1 4.3Å; V309-L330 HydrophobicContact CG2-CD2 4.01Å; L313-L330 HydrophobicContact CD2-CD1 4.14Å; A326-L330 WeakPolarHBondContact O-CB 3.24Å; A326-L330 WeakPolarHBondContact O-CD1 3.14Å; A326-L330 WeakPolarHBondContact O-CG 3.37Å; A326-L330 PolarHBondContact O-N 3.4Å; Y327-L330 PolarHBondContact O-N 2.65Å; N328-L330 PolarHBondContact O-N 3.27Å; L330-L334 HydrophobicContact CD2-CD1 4.2Å; L330-L334 WeakPolarHBondContact O-CB 3.21Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 2.76Å; L330-V347 HydrophobicContact CD2-CG1 4.07Å; L330-V351 HydrophobicContact CD1-CG2 4.13Å |
| 331 | V | 89.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 178.8 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | Y327 N328 Y329 R335 Q344 L465 M468 | Y327-V331 HydrophobicContact CD1-CG2 4.23Å; Y327-V331 HydrophobicContact CE1-CG2 3.94Å; Y327-V331 WeakPolarHBondContact O-CB 3.44Å; Y327-V331 VanDerWaalsContact O-CG2 3.3Å; Y327-V331 WeakPolarHBondContact O-CG2 3.47Å; Y327-V331 PolarHBondContact O-N 3.31Å; N328-V331 PolarHBondContact O-N 2.92Å; Y329-V331 VanDerWaalsContact C-N 3.33Å; Y329-V331 PolarHBondContact O-N 3.11Å; V331-R335 WeakPolarHBondContact O-CD 3.34Å; V331-R335 WeakPolarHBondContact O-CG 3.32Å; V331-R335 PolarHBondContact O-N 3.39Å; V331-Q344 HydrophobicContact CG2-CG 4.43Å; V331-L465 HydrophobicContact CB-CD1 3.97Å; V331-L465 HydrophobicContact CG1-CD1 3.98Å; V331-L465 HydrophobicContact CG2-CD1 3.94Å; V331-M468 HydrophobicContact CG2-SD 3.85Å |
| 332 | R | 89.7 | Confident | 89.7 | Confident | 38 Ų | 38 | 28.3 Ų | 28.3 | 14% | 0.143 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.8 | -46.9 | -176.4 | -70.1 | -179.4 | 171.7 | -178.3 | -3.5 | 112.4 | Y278 N328 Y329 R335 E393 E397 | Y278-R332 HydrophobicContact CD1-CB 4.28Å; Y278-R332 HydrophobicContact CE1-CB 3.83Å; Y278-R332 HydrophobicContact CE1-CG 4.36Å; Y278-R332 HydrophobicContact CE2-CB 4.06Å; N328-R332 WeakPolarHBondContact O-CG 3.46Å; N328-R332 PolarHBondContact O-N 3.4Å; N328-R332 VanDerWaalsContact OD1-CD 3.23Å; N328-R332 WeakPolarHBondContact OD1-CD 3.23Å; N328-R332 PolarHBondContact OD1-NE 2.96Å; Y329-R332 PolarHBondContact O-N 2.92Å; R332-R335 PolarHBondContact O-N 2.96Å; R332-E393 IonicContact CZ-OE2 3.06Å; R332-E393 IonicContact NH1-OE2 2.7Å; R332-E393 PolarHBondContact NH1-OE2 3.49Å; R332-E393 PolarHBondContact NH2-O 3.2Å; R332-E393 VanDerWaalsContact NH2-O 3.08Å; R332-E397 IonicContact CZ-OE1 2.74Å; R332-E397 IonicContact NE-OE1 2.84Å; R332-E397 IonicContact NH2-OE1 2.75Å; R332-E397 PolarHBondContact NH2-OE1 3.25Å |
| 333 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V275 Y278 L285 Y329 R335 L336 V337 | V275-A333 HydrophobicContact CB-CB 4.3Å; V275-A333 HydrophobicContact CG1-CB 3.87Å; V275-A333 HydrophobicContact CG2-CB 4.2Å; Y278-A333 HydrophobicContact CD2-CB 4.35Å; L285-A333 HydrophobicContact CD1-CB 3.56Å; L285-A333 HydrophobicContact CD2-CB 4Å; L285-A333 HydrophobicContact CG-CB 4.47Å; Y329-A333 WeakPolarHBondContact O-CB 3.41Å; Y329-A333 PolarHBondContact O-N 2.91Å; A333-R335 VanDerWaalsContact C-N 3.27Å; A333-R335 PolarHBondContact O-N 3.12Å; A333-L336 WeakPolarHBondContact O-CB 3.16Å; A333-L336 PolarHBondContact O-N 2.98Å; A333-V337 PolarHBondContact O-N 2.71Å |
| 334 | L | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.5 | -22.9 | -177.5 | -65.3 | 175.8 | 0 | 0 | 0 | 113.1 | V275 L305 L330 L336 V337 D338 V343 Q344 V347 | V275-L334 HydrophobicContact CG2-CD2 4.41Å; L305-L334 HydrophobicContact CD2-CD1 4.2Å; L305-L334 HydrophobicContact CD2-CD2 3.68Å; L305-L334 HydrophobicContact CD2-CG 4.49Å; L330-L334 HydrophobicContact CD2-CD1 4.2Å; L330-L334 WeakPolarHBondContact O-CB 3.21Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 2.76Å; L334-L336 VanDerWaalsContact C-N 3.3Å; L334-V337 PolarHBondContact O-N 3.42Å; L334-D338 PolarHBondContact O-N 3.41Å; L334-V343 HydrophobicContact CD1-CG1 4.44Å; L334-V343 HydrophobicContact CD2-CG1 3.98Å; L334-Q344 HydrophobicContact CB-CB 3.94Å; L334-Q344 HydrophobicContact CB-CG 4.44Å; L334-Q344 HydrophobicContact CD1-CB 4.49Å; L334-V347 HydrophobicContact CD1-CB 4Å; L334-V347 HydrophobicContact CD1-CG1 4.1Å; L334-V347 HydrophobicContact CD1-CG2 4.49Å |
| 335 | R | 89.9 | Confident | 89.4 | Confident | 58 Ų | 58 | 24.1 Ų | 24.1 | 22% | 0.219 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -30.1 | 169.9 | -74 | 173.8 | 176.5 | -174.3 | -2.6 | 113.4 | V331 R332 A333 F341 L463 | V331-R335 WeakPolarHBondContact O-CD 3.34Å; V331-R335 WeakPolarHBondContact O-CG 3.32Å; V331-R335 PolarHBondContact O-N 3.39Å; R332-R335 PolarHBondContact O-N 2.96Å; A333-R335 VanDerWaalsContact C-N 3.27Å; A333-R335 PolarHBondContact O-N 3.12Å; R335-F341 HydrophobicContact CB-CD1 4.22Å; R335-F341 HydrophobicContact CB-CE1 4.07Å; R335-F341 HydrophobicContact CG-CD1 3.65Å; R335-F341 HydrophobicContact CG-CE1 3.78Å; R335-L463 PolarHBondContact NH2-O 3.11Å |
| 336 | L | 90.2 | Very high | 89.5 | Confident | 55 Ų | 55 | 24.6 Ų | 24.6 | 29% | 0.288 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -76.2 | -33 | 175.9 | -62.7 | 176.2 | 0 | 0 | 0 | 111.6 | Y278 V282 L285 M286 A333 L334 | Y278-L336 HydrophobicContact CD2-CD1 4.43Å; Y278-L336 HydrophobicContact CE2-CD1 3.91Å; V282-L336 HydrophobicContact CB-CD1 4.43Å; V282-L336 HydrophobicContact CG1-CD1 4.16Å; V282-L336 HydrophobicContact CG2-CD1 3.9Å; L285-L336 HydrophobicContact CB-CB 4.33Å; L285-L336 HydrophobicContact CD1-CD1 4.28Å; M286-L336 HydrophobicContact CE-CD2 4.39Å; A333-L336 WeakPolarHBondContact O-CB 3.16Å; A333-L336 PolarHBondContact O-N 2.98Å; L334-L336 VanDerWaalsContact C-N 3.3Å |
| 337 | V | 91.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -80.2 | -43.4 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | L285 L288 G289 L292 L301 A333 L334 | L285-V337 HydrophobicContact CB-CG2 4.11Å; L285-V337 HydrophobicContact CD2-CG2 3.49Å; L285-V337 VanDerWaalsContact CD2-CG2 3.49Å; L285-V337 HydrophobicContact CG-CG2 4.43Å; L288-V337 HydrophobicContact CD2-CG1 3.88Å; L288-V337 HydrophobicContact CD2-CG2 4Å; L288-V337 HydrophobicContact CG-CG1 4.04Å; G289-V337 VanDerWaalsContact CA-O 3.23Å; G289-V337 WeakPolarHBondContact CA-O 3.46Å; L292-V337 HydrophobicContact CD2-CG1 4.4Å; L301-V337 HydrophobicContact CD2-CG1 4.17Å; A333-V337 PolarHBondContact O-N 2.71Å; L334-V337 PolarHBondContact O-N 3.42Å |
| 338 | D | 89.6 | Confident | 89.5 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | trans | -125.7 | 102.2 | -176.1 | 178.9 | 23.8 | 0 | 0 | 0 | 111.4 | L292 L334 T340 F341 L342 V343 | L292-D338 HydrophobicContact CD2-CB 3.77Å; L334-D338 PolarHBondContact O-N 3.41Å; D338-T340 PolarHBondContact O-N 2.99Å; D338-T340 VanDerWaalsContact O-N 3.14Å; D338-T340 WeakPolarHBondContact OD1-CB 3.36Å; D338-T340 PolarHBondContact OD1-N 3.29Å; D338-T340 PolarHBondContact OD1-OG1 2.86Å; D338-T340 PolarHBondContact OD2-OG1 2.71Å; D338-F341 PolarHBondContact O-N 2.67Å; D338-L342 PolarHBondContact OD2-N 3.09Å; D338-V343 HydrophobicContact CB-CB 4.11Å; D338-V343 HydrophobicContact CB-CG2 3.93Å; D338-V343 WeakPolarHBondContact OD2-CG2 3.34Å; D338-V343 PolarHBondContact OD2-N 3.41Å | ||
| 339 | N | 83.3 | Confident | 89.5 | Confident | 114 Ų | 114 | 30.5 Ų | 30.5 | 61% | 0.61 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.8 | 176.6 | -67.4 | -41.8 | 0 | 0 | 0 | 113.3 | F341 | N339-F341 VanDerWaalsContact C-N 3.27Š|
| 340 | T | 83.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 29.1 Ų | 29.1 | 30% | 0.301 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -12.3 | 174.8 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | D338 L342 P449 R461 | D338-T340 PolarHBondContact O-N 2.99Å; D338-T340 VanDerWaalsContact O-N 3.14Å; D338-T340 WeakPolarHBondContact OD1-CB 3.36Å; D338-T340 PolarHBondContact OD1-N 3.29Å; D338-T340 PolarHBondContact OD1-OG1 2.86Å; D338-T340 PolarHBondContact OD2-OG1 2.71Å; T340-L342 PolarHBondContact O-N 2.94Å; T340-L342 VanDerWaalsContact O-N 3.12Å; T340-L342 WeakPolarHBondContact OG1-CB 3.14Å; T340-P449 HydrophobicContact CG2-CG 3.84Å; T340-R461 VanDerWaalsContact O-CD 3.28Å; T340-R461 WeakPolarHBondContact O-CD 3.1Å |
| 341 | F | 86 | Confident | 89.6 | Confident | 58 Ų | 58 | 29.1 Ų | 29.1 | 25% | 0.254 | 14% | 0.142 | S | C | . | . | trans | 58.5 | 14.2 | -175.7 | -40.3 | -63.5 | 0 | 0 | 0 | 114.4 | R335 D338 N339 D345 R461 | R335-F341 HydrophobicContact CB-CD1 4.22Å; R335-F341 HydrophobicContact CB-CE1 4.07Å; R335-F341 HydrophobicContact CG-CD1 3.65Å; R335-F341 HydrophobicContact CG-CE1 3.78Å; D338-F341 PolarHBondContact O-N 2.67Å; N339-F341 VanDerWaalsContact C-N 3.27Å; F341-D345 PolarHBondContact O-N 3.16Å; F341-R461 HydrophobicContact CB-CB 3.81Å; F341-R461 HydrophobicContact CB-CG 4.18Å; F341-R461 HydrophobicContact CD2-CB 4.08Å; F341-R461 WeakPolarHBondContact CD2-O 3.42Å; F341-R461 HydrophobicContact CG-CB 4.4Å; F341-R461 WeakPolarHBondContact CG-O 3.39Å | ||
| 342 | L | 86.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -48 | -179.1 | -175.9 | 70.3 | 0 | 0 | 0 | 110.3 | D338 T340 Q344 D345 I346 P449 E451 A452 | D338-L342 PolarHBondContact OD2-N 3.09Å; T340-L342 PolarHBondContact O-N 2.94Å; T340-L342 VanDerWaalsContact O-N 3.12Å; T340-L342 WeakPolarHBondContact OG1-CB 3.14Å; L342-Q344 VanDerWaalsContact C-N 3.26Å; L342-Q344 PolarHBondContact O-N 3.18Å; L342-D345 PolarHBondContact O-N 3Å; L342-I346 HydrophobicContact CD1-CD1 4.48Å; L342-I346 HydrophobicContact CG-CD1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.42Å; L342-I346 WeakPolarHBondContact O-CG1 3.19Å; L342-I346 PolarHBondContact O-N 2.9Å; L342-I346 VanDerWaalsContact O-N 3.11Å; L342-P449 HydrophobicContact CD2-CB 4.35Å; L342-P449 HydrophobicContact CD2-CG 4.43Å; L342-E451 HydrophobicContact CD2-CB 3.7Å; L342-A452 HydrophobicContact CD1-CB 3.75Å; L342-A452 HydrophobicContact CD2-CB 4.34Å |
| 343 | V | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -43 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | R298 L301 I302 L334 D338 I346 V347 | R298-V343 HydrophobicContact CG-CG2 3.73Å; L301-V343 HydrophobicContact CD2-CG1 4.1Å; L301-V343 HydrophobicContact CD2-CG2 4.32Å; L301-V343 HydrophobicContact CG-CG1 4.26Å; I302-V343 HydrophobicContact CD1-CG2 4.17Å; I302-V343 HydrophobicContact CG1-CB 4.29Å; I302-V343 HydrophobicContact CG1-CG1 4.07Å; I302-V343 HydrophobicContact CG1-CG2 3.97Å; L334-V343 HydrophobicContact CD1-CG1 4.44Å; L334-V343 HydrophobicContact CD2-CG1 3.98Å; D338-V343 HydrophobicContact CB-CB 4.11Å; D338-V343 HydrophobicContact CB-CG2 3.93Å; D338-V343 WeakPolarHBondContact OD2-CG2 3.34Å; D338-V343 PolarHBondContact OD2-N 3.41Å; V343-I346 PolarHBondContact O-N 3.07Å; V343-V347 HydrophobicContact CG1-CG2 4.09Å; V343-V347 WeakPolarHBondContact O-CB 3.38Å; V343-V347 VanDerWaalsContact O-CG2 3.24Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.15Å |
| 344 | Q | 91.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.6 | -54.8 | 175.1 | -176.8 | -163.8 | -28.1 | 0 | 0 | 111.4 | V331 L334 L342 I346 V347 C348 M468 | V331-Q344 HydrophobicContact CG2-CG 4.43Å; L334-Q344 HydrophobicContact CB-CB 3.94Å; L334-Q344 HydrophobicContact CB-CG 4.44Å; L334-Q344 HydrophobicContact CD1-CB 4.49Å; L342-Q344 VanDerWaalsContact C-N 3.26Å; L342-Q344 PolarHBondContact O-N 3.18Å; Q344-I346 VanDerWaalsContact C-N 3.29Å; Q344-I346 PolarHBondContact O-N 3.2Å; Q344-V347 PolarHBondContact O-N 3.31Å; Q344-C348 WeakPolarHBondContact O-CB 3.4Å; Q344-C348 PolarHBondContact O-N 2.81Å; Q344-C348 PolarHBondContact O-SG 2.9Å; Q344-C348 VanDerWaalsContact O-SG 3.32Å; Q344-M468 PolarHBondContact NE2-SD 3.42Å |
| 345 | D | 86.7 | Confident | 89.3 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | -174.6 | -169.3 | 49.7 | 0 | 0 | 0 | 112.1 | F341 L342 Q455 | F341-D345 PolarHBondContact O-N 3.16Å; L342-D345 PolarHBondContact O-N 3Å; D345-Q455 PolarHBondContact OD2-OE1 3.12Å |
| 346 | I | 89.2 | Confident | 89.3 | Confident | 39 Ų | 39 | 38.3 Ų | 38.3 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.1 | -53.3 | 177.5 | -35.7 | -128.4 | 0 | 0 | 0 | 111 | I302 L342 V343 Q344 C348 K349 P350 Q455 | I302-I346 HydrophobicContact CD1-CD1 3.92Å; I302-I346 HydrophobicContact CD1-CG1 4.04Å; I302-I346 HydrophobicContact CG1-CG1 4.45Å; I302-I346 HydrophobicContact CG2-CB 3.97Å; I302-I346 HydrophobicContact CG2-CD1 4.36Å; I302-I346 HydrophobicContact CG2-CG1 4.34Å; I302-I346 HydrophobicContact CG2-CG2 3.63Å; L342-I346 HydrophobicContact CD1-CD1 4.48Å; L342-I346 HydrophobicContact CG-CD1 4.37Å; L342-I346 HydrophobicContact CG-CG1 4.42Å; L342-I346 WeakPolarHBondContact O-CG1 3.19Å; L342-I346 PolarHBondContact O-N 2.9Å; L342-I346 VanDerWaalsContact O-N 3.11Å; V343-I346 PolarHBondContact O-N 3.07Å; Q344-I346 VanDerWaalsContact C-N 3.29Å; Q344-I346 PolarHBondContact O-N 3.2Å; I346-C348 PolarHBondContact O-N 3.15Å; I346-K349 WeakPolarHBondContact O-CB 3.46Å; I346-K349 PolarHBondContact O-N 2.99Å; I346-P350 WeakPolarHBondContact O-CD 3.17Å; I346-Q455 VanDerWaalsContact CD1-CD 3.44Å; I346-Q455 HydrophobicContact CD1-CG 4.13Å |
| 347 | V | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.9 | -33 | -171.9 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | L305 V309 L330 L334 V343 Q344 K349 P350 | L305-V347 HydrophobicContact CB-CG2 4.4Å; L305-V347 HydrophobicContact CD2-CG1 3.95Å; L305-V347 HydrophobicContact CD2-CG2 4.22Å; L305-V347 HydrophobicContact CG-CG1 3.9Å; L305-V347 HydrophobicContact CG-CG2 4.42Å; V309-V347 HydrophobicContact CG2-CG1 4.04Å; L330-V347 HydrophobicContact CD2-CG1 4.07Å; L334-V347 HydrophobicContact CD1-CB 4Å; L334-V347 HydrophobicContact CD1-CG1 4.1Å; L334-V347 HydrophobicContact CD1-CG2 4.49Å; V343-V347 HydrophobicContact CG1-CG2 4.09Å; V343-V347 WeakPolarHBondContact O-CB 3.38Å; V343-V347 VanDerWaalsContact O-CG2 3.24Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.15Å; Q344-V347 PolarHBondContact O-N 3.31Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.12Å; V347-P350 WeakPolarHBondContact O-CD 3.27Å |
| 348 | C | 91.4 | Very high | 89 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -78.1 | -12.9 | 178.7 | -70.7 | 0 | 0 | 0 | 0 | 113.6 | Y327 Q344 I346 V351 S352 | Y327-C348 HydrophobicContact CE2-CB 3.76Å; Q344-C348 WeakPolarHBondContact O-CB 3.4Å; Q344-C348 PolarHBondContact O-N 2.81Å; Q344-C348 PolarHBondContact O-SG 2.9Å; Q344-C348 VanDerWaalsContact O-SG 3.32Å; I346-C348 PolarHBondContact O-N 3.15Å; C348-V351 PolarHBondContact O-N 3.17Å; C348-S352 WeakPolarHBondContact O-CB 3.39Å; C348-S352 PolarHBondContact O-N 3.29Å; C348-S352 PolarHBondContact O-OG 2.87Å |
| 349 | K | 89.3 | Confident | 88.6 | Confident | 137 Ų | 137 | 52 Ų | 52 | 60% | 0.596 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | -176.6 | -176.9 | 175.5 | -175.2 | 173.5 | 0 | 113.9 | I346 V347 V351 S352 T353 | I346-K349 WeakPolarHBondContact O-CB 3.46Å; I346-K349 PolarHBondContact O-N 2.99Å; V347-K349 VanDerWaalsContact C-N 3.33Å; V347-K349 PolarHBondContact O-N 3.12Å; K349-V351 VanDerWaalsContact C-N 3.33Å; K349-V351 PolarHBondContact O-N 3.46Å; K349-S352 PolarHBondContact O-N 3.11Å; K349-T353 PolarHBondContact O-N 3.45Å; K349-T353 PolarHBondContact O-OG1 3.32Å |
| 350 | P | 92.2 | Very high | 88.7 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | 170.7 | -26.3 | 35.6 | 0 | 0 | 0 | 112.9 | T306 Q310 L314 I346 V347 S352 T353 C354 | T306-P350 HydrophobicContact CG2-CG 4.11Å; Q310-P350 HydrophobicContact CG-CB 4.25Å; L314-P350 HydrophobicContact CD1-CB 3.58Å; I346-P350 WeakPolarHBondContact O-CD 3.17Å; V347-P350 WeakPolarHBondContact O-CD 3.27Å; P350-S352 PolarHBondContact O-N 3.46Å; P350-T353 PolarHBondContact O-N 2.97Å; P350-C354 PolarHBondContact O-N 3.33Å |
| 351 | V | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 178.3 | -168.7 | 0 | 0 | 0 | 0 | 111 | V309 L313 L314 I323 Y327 L330 C348 K349 T353 C354 L355 | V309-V351 HydrophobicContact CG1-CG2 3.54Å; L313-V351 HydrophobicContact CD2-CG1 4.46Å; L313-V351 HydrophobicContact CD2-CG2 4.32Å; L314-V351 HydrophobicContact CD2-CB 4.37Å; L314-V351 HydrophobicContact CD2-CG1 4.31Å; L314-V351 HydrophobicContact CD2-CG2 4.2Å; I323-V351 HydrophobicContact CG2-CG1 3.73Å; Y327-V351 HydrophobicContact CD2-CB 3.83Å; Y327-V351 HydrophobicContact CD2-CG1 3.55Å; Y327-V351 HydrophobicContact CE2-CB 4.24Å; Y327-V351 HydrophobicContact CE2-CG1 4.35Å; Y327-V351 HydrophobicContact CG-CG1 4.32Å; L330-V351 HydrophobicContact CD1-CG2 4.13Å; C348-V351 PolarHBondContact O-N 3.17Å; K349-V351 VanDerWaalsContact C-N 3.33Å; K349-V351 PolarHBondContact O-N 3.46Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.47Å; V351-C354 WeakPolarHBondContact O-CB 3.15Å; V351-C354 PolarHBondContact O-N 3.25Å; V351-L355 HydrophobicContact CG1-CD1 4.34Å; V351-L355 WeakPolarHBondContact O-CG 3.3Å; V351-L355 PolarHBondContact O-N 3.4Å |
| 352 | S | 89.7 | Confident | 88.9 | Confident | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.2 | -56.5 | 0 | 0 | 0 | 0 | 112 | Y327 C348 K349 P350 L355 R356 I472 | Y327-S352 PolarHBondContact OH-OG 3.46Å; C348-S352 WeakPolarHBondContact O-CB 3.39Å; C348-S352 PolarHBondContact O-N 3.29Å; C348-S352 PolarHBondContact O-OG 2.87Å; K349-S352 PolarHBondContact O-N 3.11Å; P350-S352 PolarHBondContact O-N 3.46Å; S352-L355 PolarHBondContact O-N 3.35Å; S352-R356 WeakPolarHBondContact O-CB 3.29Å; S352-R356 PolarHBondContact O-N 3.01Å; S352-I472 VanDerWaalsContact O-CG2 3.27Å; S352-I472 WeakPolarHBondContact O-CG2 3.25Å |
| 353 | T | 89.4 | Confident | 88.9 | Confident | 71 Ų | 71 | 49 Ų | 49 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -40.9 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | K349 P350 V351 R356 Q357 | K349-T353 PolarHBondContact O-N 3.45Å; K349-T353 PolarHBondContact O-OG1 3.32Å; P350-T353 PolarHBondContact O-N 2.97Å; V351-T353 VanDerWaalsContact C-N 3.3Å; V351-T353 PolarHBondContact O-N 3.47Å; T353-R356 PolarHBondContact O-N 3.32Å; T353-Q357 WeakPolarHBondContact O-CG 3.24Å; T353-Q357 PolarHBondContact O-N 3.4Å |
| 354 | C | 90.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L314 P350 V351 R356 Q357 R358 | L314-C354 HydrophobicContact CD2-CB 3.86Å; P350-C354 PolarHBondContact O-N 3.33Å; V351-C354 WeakPolarHBondContact O-CB 3.15Å; V351-C354 PolarHBondContact O-N 3.25Å; C354-R356 VanDerWaalsContact C-N 3.28Å; C354-R356 PolarHBondContact O-N 3.48Å; C354-Q357 PolarHBondContact O-N 3.32Å; C354-R358 PolarHBondContact O-N 2.91Å |
| 355 | L | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 177.6 | -73.3 | 172.7 | 0 | 0 | 0 | 112 | T320 I323 L324 Y327 V351 S352 Q357 R358 A361 I472 Y473 | T320-L355 HydrophobicContact CG2-CD2 4.39Å; I323-L355 HydrophobicContact CB-CD2 4.26Å; I323-L355 HydrophobicContact CG2-CD1 4.5Å; I323-L355 HydrophobicContact CG2-CD2 3.73Å; I323-L355 HydrophobicContact CG2-CG 4Å; L324-L355 HydrophobicContact CD2-CD1 3.81Å; L324-L355 HydrophobicContact CD2-CD2 3.8Å; L324-L355 HydrophobicContact CD2-CG 4.47Å; L324-L355 HydrophobicContact CG-CD2 4.08Å; Y327-L355 HydrophobicContact CD2-CD1 4.49Å; Y327-L355 HydrophobicContact CG-CD1 4.39Å; V351-L355 HydrophobicContact CG1-CD1 4.34Å; V351-L355 WeakPolarHBondContact O-CG 3.3Å; V351-L355 PolarHBondContact O-N 3.4Å; S352-L355 PolarHBondContact O-N 3.35Å; L355-Q357 PolarHBondContact O-N 3.11Å; L355-R358 PolarHBondContact O-N 2.95Å; L355-A361 HydrophobicContact CD2-CB 4.28Å; L355-I472 HydrophobicContact CD1-CD1 4.17Å; L355-Y473 PolarHBondContact O-OH 3.08Å |
| 356 | R | 88.3 | Confident | 88.6 | Confident | 173 Ų | 173 | 48.8 Ų | 48.8 | 65% | 0.653 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.2 | -27.5 | 176.6 | -168.6 | 176.4 | -178.1 | -138.6 | 2.8 | 113.5 | S352 T353 C354 I472 | S352-R356 WeakPolarHBondContact O-CB 3.29Å; S352-R356 PolarHBondContact O-N 3.01Å; T353-R356 PolarHBondContact O-N 3.32Å; C354-R356 VanDerWaalsContact C-N 3.28Å; C354-R356 PolarHBondContact O-N 3.48Å; R356-I472 HydrophobicContact CB-CG2 3.91Å |
| 357 | Q | 87.8 | Confident | 88.4 | Confident | 153 Ų | 153 | 49.8 Ų | 49.8 | 72% | 0.715 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -82.7 | -20.5 | 178.1 | -70.3 | 176 | 4.8 | 0 | 0 | 112.9 | T353 C354 L355 | T353-Q357 WeakPolarHBondContact O-CG 3.24Å; T353-Q357 PolarHBondContact O-N 3.4Å; C354-Q357 PolarHBondContact O-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.11Å |
| 358 | R | 88.1 | Confident | 87.9 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | trans | -83.8 | 122.2 | -179.8 | -66.9 | -175.4 | 78.9 | 121.2 | 0.5 | 110.5 | V318 T320 C354 L355 D360 A361 | V318-R358 PolarHBondContact O-NH1 3.31Å; V318-R358 PolarHBondContact O-NH2 2.95Å; T320-R358 PolarHBondContact OG1-NE 2.88Å; T320-R358 PolarHBondContact OG1-NH2 2.9Å; C354-R358 PolarHBondContact O-N 2.91Å; L355-R358 PolarHBondContact O-N 2.95Å; R358-D360 VanDerWaalsContact C-N 3.32Å; R358-D360 IonicContact NE-OD1 2.79Å; R358-D360 PolarHBondContact O-N 3.38Å; R358-A361 HydrophobicContact CB-CB 3.99Å; R358-A361 PolarHBondContact O-N 3.49Å | ||
| 359 | E | 81.1 | Confident | 87.3 | Confident | 139 Ų | 139 | 51.8 Ų | 51.8 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.9 | -174.3 | -59.9 | -175.7 | 172.5 | 0 | 0 | 112.7 | R812 | E359-R812 IonicContact OE1-CZ 3.96Å; E359-R812 IonicContact OE1-NH1 2.69Å; E359-R812 PolarHBondContact OE1-NH1 3.29Å; E359-R812 IonicContact OE1-NH2 3.61Å; E359-R812 PolarHBondContact OE1-NH2 3.33Å; E359-R812 IonicContact OE2-CZ 3.83Å; E359-R812 IonicContact OE2-NH1 3.69Å; E359-R812 PolarHBondContact OE2-NH1 3Å; E359-R812 IonicContact OE2-NH2 2.89Å |
| 360 | D | 85.6 | Confident | 86.9 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.1 | -177.9 | 64.2 | -45 | 0 | 0 | 0 | 113.9 | T320 R358 V362 R363 C364 | T320-D360 WeakPolarHBondContact CB-OD2 3.27Å; T320-D360 VanDerWaalsContact OG1-CG 3.27Å; T320-D360 PolarHBondContact OG1-OD1 3.31Å; T320-D360 PolarHBondContact OG1-OD2 3.04Å; R358-D360 VanDerWaalsContact C-N 3.32Å; R358-D360 IonicContact NE-OD1 2.79Å; R358-D360 PolarHBondContact O-N 3.38Å; D360-V362 PolarHBondContact O-N 3.2Å; D360-R363 PolarHBondContact O-N 2.92Å; D360-C364 WeakPolarHBondContact O-CB 3.47Å; D360-C364 PolarHBondContact O-N 3.2Å |
| 361 | A | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.2 | -39.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.1 | T320 L355 R358 R363 C364 I365 Y473 | T320-A361 HydrophobicContact CG2-CB 3.64Å; L355-A361 HydrophobicContact CD2-CB 4.28Å; R358-A361 HydrophobicContact CB-CB 3.99Å; R358-A361 PolarHBondContact O-N 3.49Å; A361-R363 VanDerWaalsContact C-N 3.34Å; A361-R363 PolarHBondContact O-N 3.45Å; A361-C364 PolarHBondContact O-N 3.28Å; A361-I365 VanDerWaalsContact O-CG1 3.26Å; A361-I365 WeakPolarHBondContact O-CG1 3.22Å; A361-I365 PolarHBondContact O-N 3.5Å; A361-Y473 WeakPolarHBondContact CB-OH 2.98Å |
| 362 | V | 87 | Confident | 84.7 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.7 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | D360 C364 I365 V366 Y473 E482 | D360-V362 PolarHBondContact O-N 3.2Å; V362-C364 VanDerWaalsContact C-N 3.3Å; V362-C364 PolarHBondContact O-N 3.06Å; V362-I365 PolarHBondContact O-N 3.29Å; V362-V366 HydrophobicContact CG1-CG2 4.24Å; V362-V366 WeakPolarHBondContact O-CB 3.49Å; V362-V366 VanDerWaalsContact O-CG2 3.26Å; V362-V366 WeakPolarHBondContact O-CG2 3.48Å; V362-V366 PolarHBondContact O-N 3.44Å; V362-Y473 HydrophobicContact CG2-CD1 3.45Å; V362-Y473 VanDerWaalsContact CG2-CD1 3.45Å; V362-Y473 HydrophobicContact CG2-CD2 3.95Å; V362-Y473 HydrophobicContact CG2-CE1 3.26Å; V362-Y473 HydrophobicContact CG2-CE2 3.79Å; V362-Y473 HydrophobicContact CG2-CG 3.79Å; V362-Y473 VanDerWaalsContact CG2-CZ 3.43Å; V362-E482 HydrophobicContact CB-CG 4.14Å; V362-E482 HydrophobicContact CG1-CB 3.79Å; V362-E482 HydrophobicContact CG1-CG 3.68Å |
| 363 | R | 85.6 | Confident | 83 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 179.3 | -173.9 | 174.8 | 176.4 | 80.5 | -2.5 | 111.5 | D360 A361 V366 D367 L486 Q489 D805 | D360-R363 PolarHBondContact O-N 2.92Å; A361-R363 VanDerWaalsContact C-N 3.34Å; A361-R363 PolarHBondContact O-N 3.45Å; R363-V366 PolarHBondContact O-N 3.26Å; R363-D367 WeakPolarHBondContact O-CB 3.3Å; R363-D367 PolarHBondContact O-N 2.87Å; R363-L486 HydrophobicContact CG-CD1 3.82Å; R363-Q489 VanDerWaalsContact NH1-OE1 3.12Å; R363-D805 IonicContact NH2-OD1 3.7Å |
| 364 | C | 87.3 | Confident | 81.1 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.6 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | T320 E321 L324 D360 A361 V362 K368 | T320-C364 HydrophobicContact CG2-CB 4.33Å; E321-C364 WeakPolarHBondContact CG-SG 3.32Å; L324-C364 HydrophobicContact CD1-CB 4Å; D360-C364 WeakPolarHBondContact O-CB 3.47Å; D360-C364 PolarHBondContact O-N 3.2Å; A361-C364 PolarHBondContact O-N 3.28Å; V362-C364 VanDerWaalsContact C-N 3.3Å; V362-C364 PolarHBondContact O-N 3.06Å; C364-K368 WeakPolarHBondContact O-CB 3.37Å; C364-K368 WeakPolarHBondContact O-CG 3.35Å; C364-K368 PolarHBondContact O-N 2.9Å |
| 365 | I | 86.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.9 | -64.9 | 161.9 | 0 | 0 | 0 | 110.2 | L324 A361 V362 D367 K368 L369 L469 Y473 F479 | L324-I365 HydrophobicContact CD1-CG1 3.65Å; L324-I365 HydrophobicContact CD2-CD1 3.94Å; L324-I365 HydrophobicContact CD2-CG1 3.62Å; L324-I365 HydrophobicContact CG-CG1 4.31Å; A361-I365 VanDerWaalsContact O-CG1 3.26Å; A361-I365 WeakPolarHBondContact O-CG1 3.22Å; A361-I365 PolarHBondContact O-N 3.5Å; V362-I365 PolarHBondContact O-N 3.29Å; I365-D367 VanDerWaalsContact C-N 3.34Å; I365-D367 PolarHBondContact O-N 2.76Å; I365-K368 PolarHBondContact O-N 3.41Å; I365-L369 HydrophobicContact CG2-CD1 3.94Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.34Å; I365-L369 PolarHBondContact O-N 2.85Å; I365-L369 VanDerWaalsContact O-N 3.1Å; I365-L469 HydrophobicContact CD1-CD2 4.18Å; I365-L469 HydrophobicContact CG2-CD1 4.36Å; I365-Y473 HydrophobicContact CD1-CE2 3.84Å; I365-F479 HydrophobicContact CG2-CE2 4.15Å |
| 366 | V | 86.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 179 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | V362 R363 K368 L369 I370 F479 E482 Y483 L486 | V362-V366 HydrophobicContact CG1-CG2 4.24Å; V362-V366 WeakPolarHBondContact O-CB 3.49Å; V362-V366 VanDerWaalsContact O-CG2 3.26Å; V362-V366 WeakPolarHBondContact O-CG2 3.48Å; V362-V366 PolarHBondContact O-N 3.44Å; R363-V366 PolarHBondContact O-N 3.26Å; V366-K368 PolarHBondContact O-N 3.06Å; V366-L369 WeakPolarHBondContact O-CB 3.39Å; V366-L369 PolarHBondContact O-N 2.75Å; V366-I370 HydrophobicContact CG1-CD1 3.78Å; V366-I370 VanDerWaalsContact O-CG1 3.27Å; V366-I370 WeakPolarHBondContact O-CG1 3.27Å; V366-I370 PolarHBondContact O-N 3.33Å; V366-F479 HydrophobicContact CB-CE2 4.39Å; V366-F479 HydrophobicContact CG2-CD2 3.66Å; V366-F479 HydrophobicContact CG2-CE1 4.43Å; V366-F479 HydrophobicContact CG2-CE2 3.37Å; V366-F479 HydrophobicContact CG2-CG 4.31Å; V366-F479 HydrophobicContact CG2-CZ 3.8Å; V366-E482 HydrophobicContact CG2-CB 4.22Å; V366-Y483 HydrophobicContact CG1-CD2 4.08Å; V366-L486 HydrophobicContact CG1-CB 4.16Å; V366-L486 HydrophobicContact CG1-CD2 4.28Å |
| 367 | D | 85 | Confident | 74 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | -179.9 | -169 | 64.6 | 0 | 0 | 0 | 111.8 | R363 I365 L369 I370 S371 L486 R490 | R363-D367 WeakPolarHBondContact O-CB 3.3Å; R363-D367 PolarHBondContact O-N 2.87Å; I365-D367 VanDerWaalsContact C-N 3.34Å; I365-D367 PolarHBondContact O-N 2.76Å; D367-L369 PolarHBondContact O-N 2.75Å; D367-I370 PolarHBondContact O-N 2.86Å; D367-I370 VanDerWaalsContact O-N 3.08Å; D367-S371 WeakPolarHBondContact O-CB 3.08Å; D367-S371 PolarHBondContact O-N 3.24Å; D367-S371 PolarHBondContact O-OG 2.82Å; D367-S371 PolarHBondContact OD1-OG 3.46Å; D367-S371 PolarHBondContact OD2-OG 3.36Å; D367-L486 HydrophobicContact CB-CD1 3.96Å; D367-L486 HydrophobicContact CB-CD2 4.45Å; D367-R490 IonicContact OD1-NH1 2.65Å; D367-R490 PolarHBondContact OD1-NH1 3Å |
| 368 | K | 82.2 | Confident | 71.7 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -29.3 | 176 | -79.8 | -175.5 | 176.3 | -170 | 0 | 113.9 | E321 C364 I365 V366 T392 L394 | E321-K368 PolarHBondContact O-NZ 3.05Å; C364-K368 WeakPolarHBondContact O-CB 3.37Å; C364-K368 WeakPolarHBondContact O-CG 3.35Å; C364-K368 PolarHBondContact O-N 2.9Å; I365-K368 PolarHBondContact O-N 3.41Å; V366-K368 PolarHBondContact O-N 3.06Å; K368-T392 PolarHBondContact O-OG1 2.79Å; K368-L394 HydrophobicContact CB-CD1 4.41Å; K368-L394 HydrophobicContact CD-CD1 4.28Å |
| 369 | L | 80.1 | Confident | 69.1 | Low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.6 | -32.9 | 176.8 | -71.8 | 166.8 | 0 | 0 | 0 | 112.3 | I365 V366 D367 L394 H395 L398 L466 F479 | I365-L369 HydrophobicContact CG2-CD1 3.94Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.34Å; I365-L369 PolarHBondContact O-N 2.85Å; I365-L369 VanDerWaalsContact O-N 3.1Å; V366-L369 WeakPolarHBondContact O-CB 3.39Å; V366-L369 PolarHBondContact O-N 2.75Å; D367-L369 PolarHBondContact O-N 2.75Å; L369-L394 HydrophobicContact CD2-CB 4.06Å; L369-L394 WeakPolarHBondContact CD2-O 3.45Å; L369-H395 PolarHBondContact O-ND1 3.2Å; L369-L398 HydrophobicContact CB-CD1 4.25Å; L369-L398 HydrophobicContact CD2-CD1 3.85Å; L369-L398 HydrophobicContact CD2-CD2 4.35Å; L369-L398 HydrophobicContact CD2-CG 3.91Å; L369-L466 HydrophobicContact CD1-CD1 3.85Å; L369-L466 HydrophobicContact CD2-CD1 4.22Å; L369-F479 HydrophobicContact CD1-CE2 3.58Å; L369-F479 HydrophobicContact CD1-CZ 3.43Å; L369-F479 VanDerWaalsContact CD1-CZ 3.43Å |
| 370 | I | 79.6 | Confident | 66.9 | Low | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -93 | -26 | -176.6 | -55.6 | 169 | 0 | 0 | 0 | 111.8 | V366 D367 G372 Y483 L486 R501 E502 N505 | V366-I370 HydrophobicContact CG1-CD1 3.78Å; V366-I370 VanDerWaalsContact O-CG1 3.27Å; V366-I370 WeakPolarHBondContact O-CG1 3.27Å; V366-I370 PolarHBondContact O-N 3.33Å; D367-I370 PolarHBondContact O-N 2.86Å; D367-I370 VanDerWaalsContact O-N 3.08Å; I370-G372 PolarHBondContact O-N 3.48Å; I370-Y483 HydrophobicContact CD1-CD2 3.46Å; I370-Y483 VanDerWaalsContact CD1-CD2 3.46Å; I370-Y483 HydrophobicContact CD1-CE2 3.35Å; I370-Y483 HydrophobicContact CG1-CD2 4.11Å; I370-Y483 HydrophobicContact CG1-CE2 3.74Å; I370-L486 HydrophobicContact CD1-CD2 3.6Å; I370-R501 PolarHBondContact O-NH2 3.24Å; I370-E502 WeakPolarHBondContact CG2-OE2 3.29Å; I370-N505 WeakPolarHBondContact CG2-ND2 3.45Å; I370-N505 PolarHBondContact O-ND2 3.49Å |
| 371 | S | 75.7 | Confident | 64.9 | Low | 45 Ų | 45 | 63.8 Ų | 63.8 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | trans | -74.4 | 24.8 | -176.3 | -70.7 | 0 | 0 | 0 | 0 | 114.8 | D367 R490 R501 | D367-S371 WeakPolarHBondContact O-CB 3.08Å; D367-S371 PolarHBondContact O-N 3.24Å; D367-S371 PolarHBondContact O-OG 2.82Å; D367-S371 PolarHBondContact OD1-OG 3.46Å; D367-S371 PolarHBondContact OD2-OG 3.36Å; S371-R490 PolarHBondContact OG-NH1 3.16Å; S371-R501 VanDerWaalsContact CA-NH2 3.28Å | ||
| 372 | G | 64.1 | Low | 62.6 | Low | 7 Ų | 7 | 70.9 Ų | 70.9 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | trans | -56.8 | 157.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I370 R501 | I370-G372 PolarHBondContact O-N 3.48Å; G372-R501 PolarHBondContact O-NH2 3.03Å | ||
| 373 | P | 54.1 | Low | 60.2 | Low | 45 Ų | 45 | 75.9 Ų | 75.9 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | trans | -62.7 | 136.4 | -173.3 | 25.6 | -34.2 | 0 | 0 | 0 | 111.8 | T375 T390 T391 | P373-T375 PolarHBondContact O-N 2.98Å; P373-T390 WeakPolarHBondContact CD-O 3.46Å; P373-T391 HydrophobicContact CG-CG2 4.15Å | ||
| 374 | E | 49.1 | Very low | 57.9 | Low | 114 Ų | 114 | 76.7 Ų | 76.7 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | trans | -77 | 111.3 | 174.5 | -62.6 | -170.3 | 151.4 | 0 | 0 | 109.1 | D376 R501 | E374-D376 PolarHBondContact O-N 3.3Å; E374-R501 VanDerWaalsContact CD-NH1 3.29Å; E374-R501 IonicContact OE1-CZ 3.78Å; E374-R501 IonicContact OE1-NH1 2.63Å; E374-R501 PolarHBondContact OE1-NH1 3.47Å | ||
| 375 | T | 44 | Very low | 55.5 | Low | 88 Ų | 88 | 84.6 Ų | 84.6 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | trans | -89.9 | 86.3 | 159 | 52 | 0 | 0 | 0 | 0 | 107.9 | P373 G377 Y387 | P373-T375 PolarHBondContact O-N 2.98Å; T375-G377 PolarHBondContact O-N 3.4Å; T375-G377 VanDerWaalsContact O-N 3.16Å; T375-Y387 HydrophobicContact CG2-CE2 3.77Å; T375-Y387 WeakPolarHBondContact CG2-OH 3.43Å; T375-Y387 PolarHBondContact OG1-OH 3.47Å; T375-Y387 VanDerWaalsContact OG1-OH 3.11Å | ||
| 376 | D | 36.6 | Very low | 52.9 | Low | 138 Ų | 138 | 87.5 Ų | 87.5 | 74% | 0.738 | 48% | 0.481 | S | S | * | . | trans | -74.2 | 94.9 | 165.8 | -79.7 | -17.9 | 0 | 0 | 0 | 108.4 | E374 | E374-D376 PolarHBondContact O-N 3.3Š| ||
| 377 | G | 39.9 | Very low | 50.8 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | trans | 171.2 | 127.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T375 D379 | T375-G377 PolarHBondContact O-N 3.4Å; T375-G377 VanDerWaalsContact O-N 3.16Å; G377-D379 PolarHBondContact O-N 2.83Å | ||
| 378 | E | 38.6 | Very low | 48.6 | Very low | 203 Ų | 203 | 91.2 Ų | 91.2 | 95% | 0.949 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -73.3 | 6 | 172.6 | -74.2 | -178.7 | 157.2 | 0 | 0 | 113.3 | ||
| 379 | D | 33 | Very low | 46.6 | Very low | 136 Ų | 136 | 96.1 Ų | 96.1 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | trans | -118.4 | 108.6 | -178.6 | -63.2 | -39 | 0 | 0 | 0 | 110.7 | G377 | G377-D379 PolarHBondContact O-N 2.83Š| ||
| 380 | D | 36.4 | Very low | 44.7 | Very low | 91 Ų | 91 | 100.7 Ų | 100.7 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | trans | 149.2 | 98.9 | 135.6 | -75.5 | -27.3 | 0 | 0 | 0 | 113.2 | I382 K383 | D380-I382 PolarHBondContact O-N 3.47Å; D380-I382 VanDerWaalsContact O-N 3.09Å; D380-K383 IonicContact OD2-NZ 3.95Å; D380-K383 PolarHBondContact OD2-NZ 2.82Å | ||
| 381 | E | 42.1 | Very low | 43.2 | Very low | 205 Ų | 205 | 101.2 Ų | 101.2 | 96% | 0.958 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 3.1 | 156 | -79.4 | -179.7 | 140.8 | 0 | 0 | 113 | ||
| 382 | I | 41.3 | Very low | 42.4 | Very low | 150 Ų | 150 | 101.4 Ų | 101.4 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -5.7 | -170.4 | -61.2 | 177.9 | 0 | 0 | 0 | 113.4 | D380 | D380-I382 PolarHBondContact O-N 3.47Å; D380-I382 VanDerWaalsContact O-N 3.09Å |
| 383 | K | 36.3 | Very low | 42.6 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 57% | 0.567 | S | S | . | * | trans | -108.5 | 34 | -175.8 | -71.3 | 178.7 | -177.2 | 129.4 | 0 | 115.5 | D380 E385 | D380-K383 IonicContact OD2-NZ 3.95Å; D380-K383 PolarHBondContact OD2-NZ 2.82Å; K383-E385 PolarHBondContact O-N 2.89Å | ||
| 384 | A | 36.6 | Very low | 43 | Very low | 82 Ų | 82 | 102 Ų | 102 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -65.2 | -26.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 385 | E | 37.4 | Very low | 43.8 | Very low | 183 Ų | 183 | 97.2 Ų | 97.2 | 86% | 0.855 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -88.2 | -20.7 | -176.8 | -65.1 | -178.4 | 175 | 0 | 0 | 114.1 | K383 | K383-E385 PolarHBondContact O-N 2.89Š|
| 386 | A | 33.2 | Very low | 44.9 | Very low | 64 Ų | 64 | 96.1 Ų | 96.1 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -90.5 | -2.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | T388 | A386-T388 VanDerWaalsContact C-N 3.3Å; A386-T388 PolarHBondContact O-N 3.19Å |
| 387 | Y | 41.3 | Very low | 46.4 | Very low | 60 Ų | 60 | 90.6 Ų | 90.6 | 24% | 0.235 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -76.4 | -13.8 | -176 | -126.3 | -92.4 | 0 | 0 | 0 | 113.3 | T375 T391 R504 | T375-Y387 HydrophobicContact CG2-CE2 3.77Å; T375-Y387 WeakPolarHBondContact CG2-OH 3.43Å; T375-Y387 PolarHBondContact OG1-OH 3.47Å; T375-Y387 VanDerWaalsContact OG1-OH 3.11Å; Y387-T391 HydrophobicContact CD1-CG2 4.32Å; Y387-T391 WeakPolarHBondContact O-CG2 3.41Å; Y387-R504 PolarHBondContact OH-NH1 3.02Å |
| 388 | T | 38.7 | Very low | 47.4 | Very low | 77 Ų | 77 | 87.9 Ų | 87.9 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -30 | -175.5 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | A386 T391 Q396 | A386-T388 VanDerWaalsContact C-N 3.3Å; A386-T388 PolarHBondContact O-N 3.19Å; T388-T391 PolarHBondContact O-OG1 3.01Å; T388-Q396 PolarHBondContact O-NE2 3.2Å |
| 389 | D | 40.2 | Very low | 48.6 | Very low | 147 Ų | 147 | 83.1 Ų | 83.1 | 79% | 0.786 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.2 | -167.4 | -73.6 | 1 | 0 | 0 | 0 | 114.2 | ||
| 390 | T | 39.6 | Very low | 50 | Low | 97 Ų | 97 | 80.1 Ų | 80.1 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -10.6 | -177.4 | 34.8 | 0 | 0 | 0 | 0 | 114.2 | P373 | P373-T390 WeakPolarHBondContact CD-O 3.46Š|
| 391 | T | 50 | Low | 50.9 | Low | 14 Ų | 14 | 81.3 Ų | 81.3 | 9% | 0.086 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -75.5 | 129.1 | 172.8 | 52.9 | 0 | 0 | 0 | 0 | 110 | P373 Y387 T388 E393 Q396 | P373-T391 HydrophobicContact CG-CG2 4.15Å; Y387-T391 HydrophobicContact CD1-CG2 4.32Å; Y387-T391 WeakPolarHBondContact O-CG2 3.41Å; T388-T391 PolarHBondContact O-OG1 3.01Å; T391-E393 PolarHBondContact O-N 3.37Å; T391-Q396 WeakPolarHBondContact OG1-CG 3.42Å; T391-Q396 PolarHBondContact OG1-NE2 3.27Å |
| 392 | T | 58.5 | Low | 51.9 | Low | 49 Ų | 49 | 78.3 Ų | 78.3 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | trans | -52.6 | 139.7 | 170.7 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | K368 L394 H395 Q396 | K368-T392 PolarHBondContact O-OG1 2.79Å; T392-L394 PolarHBondContact O-N 3.34Å; T392-H395 WeakPolarHBondContact O-CA 2.98Å; T392-H395 VanDerWaalsContact O-CB 3.3Å; T392-H395 WeakPolarHBondContact O-CB 3.48Å; T392-H395 PolarHBondContact O-N 3.21Å; T392-H395 WeakPolarHBondContact OG1-CB 3.41Å; T392-Q396 PolarHBondContact O-N 3.43Å | ||
| 393 | E | 66.9 | Low | 52.8 | Low | 52 Ų | 52 | 75.5 Ų | 75.5 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.5 | -26.4 | -175.9 | -72.5 | -175.4 | -145.3 | 0 | 0 | 114.1 | N328 Y329 R332 T391 | N328-E393 WeakPolarHBondContact ND2-CB 3.39Å; N328-E393 PolarHBondContact ND2-OE2 2.96Å; Y329-E393 WeakPolarHBondContact CE1-OE1 3.36Å; Y329-E393 WeakPolarHBondContact CE1-OE2 3.27Å; R332-E393 IonicContact CZ-OE2 3.06Å; R332-E393 IonicContact NH1-OE2 2.7Å; R332-E393 PolarHBondContact NH1-OE2 3.49Å; R332-E393 PolarHBondContact NH2-O 3.2Å; R332-E393 VanDerWaalsContact NH2-O 3.08Å; T391-E393 PolarHBondContact O-N 3.37Å |
| 394 | L | 64.3 | Low | 54 | Low | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.058 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.9 | -30.9 | 173.3 | -80.4 | 161.5 | 0 | 0 | 0 | 113.3 | K368 L369 T392 Q396 E397 L465 L469 | K368-L394 HydrophobicContact CB-CD1 4.41Å; K368-L394 HydrophobicContact CD-CD1 4.28Å; L369-L394 HydrophobicContact CD2-CB 4.06Å; L369-L394 WeakPolarHBondContact CD2-O 3.45Å; T392-L394 PolarHBondContact O-N 3.34Å; L394-Q396 VanDerWaalsContact C-N 3.28Å; L394-E397 WeakPolarHBondContact O-CB 3.37Å; L394-E397 PolarHBondContact O-N 3.31Å; L394-L465 HydrophobicContact CD2-CD2 3.69Å; L394-L465 HydrophobicContact CD2-CG 4.15Å; L394-L469 HydrophobicContact CD2-CD1 3.52Å |
| 395 | H | 64.1 | Low | 55.3 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 7% | 0.069 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 174.1 | -169.6 | 83.5 | 0 | 0 | 0 | 111 | L369 T392 E397 L398 N505 | L369-H395 PolarHBondContact O-ND1 3.2Å; T392-H395 WeakPolarHBondContact O-CA 2.98Å; T392-H395 VanDerWaalsContact O-CB 3.3Å; T392-H395 WeakPolarHBondContact O-CB 3.48Å; T392-H395 PolarHBondContact O-N 3.21Å; T392-H395 WeakPolarHBondContact OG1-CB 3.41Å; H395-E397 PolarHBondContact O-N 2.64Å; H395-L398 WeakPolarHBondContact O-CB 3.3Å; H395-L398 PolarHBondContact O-N 2.96Å; H395-N505 PolarHBondContact CE1-OD1 3.19Å |
| 396 | Q | 68.2 | Low | 56.2 | Low | 64 Ų | 64 | 62.4 Ų | 62.4 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -32 | 172.8 | -64.5 | 177.2 | -9.8 | 0 | 0 | 112.4 | T388 T391 T392 L394 L398 L399 | T388-Q396 PolarHBondContact O-NE2 3.2Å; T391-Q396 WeakPolarHBondContact OG1-CG 3.42Å; T391-Q396 PolarHBondContact OG1-NE2 3.27Å; T392-Q396 PolarHBondContact O-N 3.43Å; L394-Q396 VanDerWaalsContact C-N 3.28Å; Q396-L398 PolarHBondContact O-N 3.4Å; Q396-L399 WeakPolarHBondContact O-CB 3.47Å; Q396-L399 PolarHBondContact O-N 3.25Å; Q396-L399 VanDerWaalsContact O-N 3.09Å |
| 397 | E | 67.6 | Low | 57.2 | Low | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -24.3 | 174.6 | -63 | -71.1 | 147.3 | 0 | 0 | 112.4 | R332 L394 H395 L399 L400 L465 L466 R512 | R332-E397 IonicContact CZ-OE1 2.74Å; R332-E397 IonicContact NE-OE1 2.84Å; R332-E397 IonicContact NH2-OE1 2.75Å; R332-E397 PolarHBondContact NH2-OE1 3.25Å; L394-E397 WeakPolarHBondContact O-CB 3.37Å; L394-E397 PolarHBondContact O-N 3.31Å; H395-E397 PolarHBondContact O-N 2.64Å; E397-L399 PolarHBondContact O-N 2.99Å; E397-L400 WeakPolarHBondContact OE2-CD1 3.33Å; E397-L465 HydrophobicContact CG-CB 4.15Å; E397-L465 HydrophobicContact CG-CD2 4.07Å; E397-L466 HydrophobicContact CB-CB 4.45Å; E397-R512 PolarHBondContact O-NE 2.96Å; E397-R512 PolarHBondContact O-NH2 2.99Å |
| 398 | L | 60.5 | Low | 57.4 | Low | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.1 | 174.8 | -69.1 | 169.7 | 0 | 0 | 0 | 112.9 | L369 H395 Q396 L400 L466 L508 L509 R512 | L369-L398 HydrophobicContact CB-CD1 4.25Å; L369-L398 HydrophobicContact CD2-CD1 3.85Å; L369-L398 HydrophobicContact CD2-CD2 4.35Å; L369-L398 HydrophobicContact CD2-CG 3.91Å; H395-L398 WeakPolarHBondContact O-CB 3.3Å; H395-L398 PolarHBondContact O-N 2.96Å; Q396-L398 PolarHBondContact O-N 3.4Å; L398-L400 VanDerWaalsContact C-N 3.29Å; L398-L400 PolarHBondContact O-N 2.68Å; L398-L466 HydrophobicContact CD2-CD2 3.69Å; L398-L508 HydrophobicContact CB-CB 4.17Å; L398-L508 HydrophobicContact CB-CD1 4.46Å; L398-L509 HydrophobicContact CD2-CD2 3.91Å; L398-L509 HydrophobicContact CD2-CG 4.35Å; L398-R512 HydrophobicContact CD2-CG 4.31Å |
| 399 | L | 64.3 | Low | 57.5 | Low | 104 Ų | 104 | 67.1 Ų | 67.1 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -15.8 | -179.5 | -60.4 | 172.7 | 0 | 0 | 0 | 113 | Q396 E397 L508 | Q396-L399 WeakPolarHBondContact O-CB 3.47Å; Q396-L399 PolarHBondContact O-N 3.25Å; Q396-L399 VanDerWaalsContact O-N 3.09Å; E397-L399 PolarHBondContact O-N 2.99Å; L399-L508 HydrophobicContact CD2-CD1 4.39Å; L399-L508 HydrophobicContact CD2-CD2 3.96Å |
| 400 | L | 63.6 | Low | 57.2 | Low | 73 Ų | 73 | 66.5 Ų | 66.5 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -71.3 | 129.4 | 179.7 | -67.2 | 169.2 | 0 | 0 | 0 | 110.4 | E397 L398 K402 R512 | E397-L400 WeakPolarHBondContact OE2-CD1 3.33Å; L398-L400 VanDerWaalsContact C-N 3.29Å; L398-L400 PolarHBondContact O-N 2.68Å; L400-K402 PolarHBondContact O-N 3.46Å; L400-R512 VanDerWaalsContact CB-NH2 3.28Å; L400-R512 VanDerWaalsContact O-CZ 3.31Å; L400-R512 PolarHBondContact O-NE 3.24Å |
| 401 | P | 55 | Low | 56.9 | Low | 115 Ų | 115 | 66 Ų | 66 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | trans | -77.6 | 12.6 | -171.6 | 29.5 | -35.3 | 0 | 0 | 0 | 115.2 | ||||
| 402 | K | 61.8 | Low | 56 | Low | 142 Ų | 142 | 68.3 Ų | 68.3 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -86.3 | 136.6 | -176.7 | -69.1 | -175.6 | 178.8 | -178.5 | 0 | 111.2 | L400 R512 | L400-K402 PolarHBondContact O-N 3.46Å; K402-R512 WeakPolarHBondContact O-CD 3.47Å; K402-R512 PolarHBondContact O-NH1 2.93Å |
| 403 | P | 60.1 | Low | 54.8 | Low | 92 Ų | 92 | 73.1 Ų | 73.1 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 148.6 | 170.1 | -18.7 | 29.9 | 0 | 0 | 0 | 110.8 | E405 | P403-E405 PolarHBondContact O-N 3.43Š|
| 404 | L | 62.8 | Low | 53.2 | Low | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 119.2 | 178.7 | -157.2 | 90.7 | 0 | 0 | 0 | 110.6 | V406 L466 S467 V470 K476 R512 F513 | L404-V406 HydrophobicContact CD2-CG2 3.62Å; L404-V406 HydrophobicContact CG-CG2 4.18Å; L404-L466 HydrophobicContact CD1-CB 4.16Å; L404-L466 HydrophobicContact CD1-CD2 3.79Å; L404-L466 HydrophobicContact CD1-CG 3.69Å; L404-S467 WeakPolarHBondContact CD1-OG 3.35Å; L404-V470 HydrophobicContact CD2-CB 3.88Å; L404-V470 HydrophobicContact CD2-CG1 3.8Å; L404-V470 HydrophobicContact CD2-CG2 3.86Å; L404-K476 HydrophobicContact CD2-CD 4.47Å; L404-K476 HydrophobicContact CD2-CG 4.29Å; L404-K476 WeakPolarHBondContact O-CE 3.23Å; L404-K476 PolarHBondContact O-NZ 3.43Å; L404-R512 HydrophobicContact CB-CB 4.4Å; L404-R512 WeakPolarHBondContact CB-O 3.48Å; L404-R512 HydrophobicContact CD1-CB 4.43Å; L404-R512 PolarHBondContact N-O 3.36Å; L404-F513 HydrophobicContact CD2-CD1 4.1Å; L404-F513 HydrophobicContact CD2-CE1 3.63Å; L404-F513 HydrophobicContact CD2-CZ 3.89Å |
| 405 | E | 63.4 | Low | 51.7 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | trans | -93.4 | 115.3 | 178.4 | -73.6 | 177.6 | -162.4 | 0 | 0 | 109.3 | P403 W459 L463 S467 | P403-E405 PolarHBondContact O-N 3.43Å; E405-W459 HydrophobicContact CB-CH2 3.76Å; E405-W459 HydrophobicContact CB-CZ3 3.78Å; E405-W459 HydrophobicContact CG-CH2 3.89Å; E405-W459 HydrophobicContact CG-CZ3 4.43Å; E405-W459 WeakPolarHBondContact OE2-CH2 3.42Å; E405-L463 HydrophobicContact CB-CG 4.4Å; E405-L463 VanDerWaalsContact O-CD2 3.31Å; E405-L463 WeakPolarHBondContact O-CD2 3.31Å; E405-S467 PolarHBondContact N-OG 3.39Å; E405-S467 WeakPolarHBondContact O-CB 3.33Å | ||
| 406 | V | 57.2 | Low | 50.2 | Low | 26 Ų | 26 | 90.1 Ų | 90.1 | 16% | 0.158 | 52% | 0.522 | C | S | . | . | trans | -128.8 | 131.7 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | L404 V470 K476 | L404-V406 HydrophobicContact CD2-CG2 3.62Å; L404-V406 HydrophobicContact CG-CG2 4.18Å; V406-V470 HydrophobicContact CG2-CB 4.4Å; V406-V470 HydrophobicContact CG2-CG1 3.81Å; V406-K476 HydrophobicContact CB-CG 4.36Å; V406-K476 HydrophobicContact CG2-CD 4.24Å; V406-K476 HydrophobicContact CG2-CG 3.79Å | ||
| 407 | E | 53.8 | Low | 48.5 | Very low | 55 Ų | 55 | 90.1 Ų | 90.1 | 26% | 0.257 | 53% | 0.533 | S | S | . | . | trans | -53.6 | 128 | 175.3 | -83.7 | -176.2 | 169.3 | 0 | 0 | 109.9 | L409 R460 | E407-L409 PolarHBondContact O-N 3.02Å; E407-R460 IonicContact OE1-NE 2.68Å; E407-R460 PolarHBondContact OE1-NE 3.26Å; E407-R460 IonicContact OE2-CZ 3.57Å; E407-R460 IonicContact OE2-NE 2.53Å; E407-R460 PolarHBondContact OE2-NE 3.2Å; E407-R460 IonicContact OE2-NH2 3.86Å; E407-R460 PolarHBondContact OE2-NH2 3.45Å | ||
| 408 | P | 44.9 | Very low | 46.9 | Very low | 123 Ų | 123 | 96 Ų | 96 | 80% | 0.799 | 57% | 0.566 | S | S | * | * | trans | -65.8 | 105.5 | 173.9 | 24 | -29.3 | 0 | 0 | 0 | 109.2 | D410 | P408-D410 VanDerWaalsContact C-N 3.31Å; P408-D410 PolarHBondContact O-N 2.98Å; P408-D410 VanDerWaalsContact O-N 3.13Å | ||
| 409 | L | 39.8 | Very low | 45.7 | Very low | 121 Ų | 121 | 103.1 Ų | 103.1 | 63% | 0.634 | 60% | 0.602 | S | S | * | * | trans | -82 | 79.1 | 167.8 | -74.3 | -175.8 | 0 | 0 | 0 | 109.9 | E407 G474 | E407-L409 PolarHBondContact O-N 3.02Å; L409-G474 WeakPolarHBondContact CD1-O 3.24Å | ||
| 410 | D | 35.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 103.5 Ų | 103.5 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -169.7 | 116.2 | 145.4 | -131.6 | -8.9 | 0 | 0 | 0 | 110.6 | P408 | P408-D410 VanDerWaalsContact C-N 3.31Å; P408-D410 PolarHBondContact O-N 2.98Å; P408-D410 VanDerWaalsContact O-N 3.13Å |
| 411 | G | 32.6 | Very low | 43.1 | Very low | 85 Ų | 85 | 109 Ų | 109 | 88% | 0.876 | 63% | 0.625 | S | S | * | * | trans | 53 | 72.9 | 147 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 412 | G | 31.6 | Very low | 42.1 | Very low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | -140.2 | 15.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D414 | G412-D414 PolarHBondContact O-N 3.39Š| ||
| 413 | E | 33.1 | Very low | 40.7 | Very low | 150 Ų | 150 | 112.1 Ų | 112.1 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 4.5 | 178.4 | -69 | -167.9 | 167.4 | 0 | 0 | 114.4 | R456 | E413-R456 IonicContact OE1-CZ 3.06Å; E413-R456 IonicContact OE1-NH1 2.77Å; E413-R456 PolarHBondContact OE1-NH1 2.79Å; E413-R456 IonicContact OE2-CZ 3.24Å; E413-R456 IonicContact OE2-NH1 3.91Å; E413-R456 PolarHBondContact OE2-NH1 3.34Å; E413-R456 IonicContact OE2-NH2 2.86Å |
| 414 | D | 32.7 | Very low | 39.7 | Very low | 172 Ų | 172 | 113 Ų | 113 | 92% | 0.92 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 35.7 | 174.2 | -70.3 | -24.7 | 0 | 0 | 0 | 113.1 | G412 | G412-D414 PolarHBondContact O-N 3.39Š|
| 415 | S | 32.9 | Very low | 38.7 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -128.7 | 94.1 | 168 | -158.7 | 0 | 0 | 0 | 0 | 110.8 | A417 | S415-A417 PolarHBondContact O-N 3Å; S415-A417 WeakPolarHBondContact OG-CB 3.43Å | ||
| 416 | D | 33.8 | Very low | 37.4 | Very low | 176 Ų | 176 | 124 Ų | 124 | 94% | 0.941 | 70% | 0.701 | S | S | * | * | trans | -61.8 | 56.2 | 150.3 | -72.7 | -25 | 0 | 0 | 0 | 109.7 | ||||
| 417 | A | 32.9 | Very low | 36.5 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 53% | 0.529 | 73% | 0.729 | S | S | . | * | trans | -91.2 | 99 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | S415 I419 | S415-A417 PolarHBondContact O-N 3Å; S415-A417 WeakPolarHBondContact OG-CB 3.43Å; A417-I419 PolarHBondContact O-N 3.47Å; A417-I419 VanDerWaalsContact O-N 3.08Å | ||
| 418 | D | 32 | Very low | 35.8 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -35.4 | 118.4 | 155.2 | -82.3 | -38.2 | 0 | 0 | 0 | 108.5 | V420 | D418-V420 HydrophobicContact CB-CG2 4.23Å; D418-V420 PolarHBondContact O-N 2.64Å | ||
| 419 | I | 37 | Very low | 35.1 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -65.9 | 84.7 | 159.5 | -61.6 | 172.7 | 0 | 0 | 0 | 104.4 | A417 Y421 | A417-I419 PolarHBondContact O-N 3.47Å; A417-I419 VanDerWaalsContact O-N 3.08Å; I419-Y421 VanDerWaalsContact C-N 3.29Å; I419-Y421 PolarHBondContact O-N 3.15Å | ||
| 420 | V | 32.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 135 Ų | 135 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -62.4 | 102.4 | 161.7 | 179.3 | 0 | 0 | 0 | 0 | 104.1 | D418 E422 | D418-V420 HydrophobicContact CB-CG2 4.23Å; D418-V420 PolarHBondContact O-N 2.64Å; V420-E422 VanDerWaalsContact C-N 3.31Å; V420-E422 PolarHBondContact O-N 3.25Å | ||
| 421 | Y | 40.9 | Very low | 35 | Very low | 188 Ų | 188 | 138 Ų | 138 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | -51.1 | 106.5 | 155.8 | -87.2 | -95.7 | 0 | 0 | 0 | 105.8 | I419 D423 | I419-Y421 VanDerWaalsContact C-N 3.29Å; I419-Y421 PolarHBondContact O-N 3.15Å; Y421-D423 PolarHBondContact O-N 3.11Å | ||
| 422 | E | 32.2 | Very low | 35 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -61.6 | 109.4 | 160.3 | -77.2 | -167.5 | 160.5 | 0 | 0 | 105.5 | V420 | V420-E422 VanDerWaalsContact C-N 3.31Å; V420-E422 PolarHBondContact O-N 3.25Å | ||
| 423 | D | 32.7 | Very low | 34.9 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 128.6 | 166.5 | -78.8 | -38.1 | 0 | 0 | 0 | 107.6 | Y421 | Y421-D423 PolarHBondContact O-N 3.11Š|
| 424 | P | 39.6 | Very low | 34.8 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.5 | 177.8 | 25.8 | -31.3 | 0 | 0 | 0 | 108.7 | F426 | P424-F426 PolarHBondContact O-N 3.06Š|
| 425 | P | 40.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 127.1 | -174.5 | -17.8 | 28.3 | 0 | 0 | 0 | 110.3 | D427 | P425-D427 PolarHBondContact O-N 3.03Å; P425-D427 VanDerWaalsContact O-N 3.17Å |
| 426 | F | 37.9 | Very low | 34.4 | Very low | 196 Ų | 196 | 140 Ų | 140 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -60.5 | 116.1 | 169.3 | -158.6 | -92.1 | 0 | 0 | 0 | 107.3 | P424 | P424-F426 PolarHBondContact O-N 3.06Š|
| 427 | D | 37.4 | Very low | 34.5 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 98.8 | 88.1 | 179.4 | -59.4 | -23.7 | 0 | 0 | 0 | 117.1 | P425 | P425-D427 PolarHBondContact O-N 3.03Å; P425-D427 VanDerWaalsContact O-N 3.17Å | ||
| 428 | S | 38.3 | Very low | 34.5 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -162.9 | 95.5 | 132.6 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | I430 | S428-I430 PolarHBondContact O-N 3Å; S428-I430 VanDerWaalsContact O-N 3.1Å | ||
| 429 | D | 31.9 | Very low | 34.6 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 97.9 | 159 | -75.2 | -39.6 | 0 | 0 | 0 | 109.5 | ||||
| 430 | I | 39.3 | Very low | 34.4 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -133.4 | 106.6 | 162.1 | -61.9 | -177.5 | 0 | 0 | 0 | 109.1 | S428 S432 | S428-I430 PolarHBondContact O-N 3Å; S428-I430 VanDerWaalsContact O-N 3.1Å; I430-S432 PolarHBondContact O-N 3.3Å | ||
| 431 | H | 32.7 | Very low | 34.8 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -51.6 | 104.8 | 159.8 | -67.7 | -71.1 | 0 | 0 | 0 | 110 | ||||
| 432 | S | 33.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -134 | 111.7 | 159.1 | -156.6 | 0 | 0 | 0 | 0 | 108.9 | I430 N434 | I430-S432 PolarHBondContact O-N 3.3Å; S432-N434 PolarHBondContact O-N 3.38Å | ||
| 433 | A | 29.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -70.5 | 90.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 434 | N | 29.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -141 | 97 | 152.3 | -101.2 | -6.9 | 0 | 0 | 0 | 107.5 | S432 D436 | S432-N434 PolarHBondContact O-N 3.38Å; N434-D436 VanDerWaalsContact C-N 3.27Å; N434-D436 PolarHBondContact O-N 3.47Å | ||
| 435 | S | 27.1 | Very low | 37.8 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -72.3 | 81.1 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 109.4 | K437 | S435-K437 PolarHBondContact O-N 3.09Š| ||
| 436 | D | 31.3 | Very low | 39 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -70.3 | 117.8 | 169 | -79 | -30.8 | 0 | 0 | 0 | 110.2 | N434 H438 | N434-D436 VanDerWaalsContact C-N 3.27Å; N434-D436 PolarHBondContact O-N 3.47Å; D436-H438 PolarHBondContact O-N 3Å | ||
| 437 | K | 35.3 | Very low | 40.6 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 36.2 | -176.1 | -66.8 | 177.2 | 173.9 | 176.3 | 0 | 114.2 | S435 | S435-K437 PolarHBondContact O-N 3.09Š|
| 438 | H | 33.2 | Very low | 42.1 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 73% | 0.731 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -0.1 | -179.1 | -150.3 | -82.6 | 0 | 0 | 0 | 114 | D436 | D436-H438 PolarHBondContact O-N 3Š|
| 439 | F | 33.2 | Very low | 43.8 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 75% | 0.746 | 71% | 0.708 | S | S | * | * | trans | -103.9 | 8.9 | -175.6 | -124.8 | -87 | 0 | 0 | 0 | 115.7 | E442 | F439-E442 WeakPolarHBondContact CE1-OE2 3.43Š| ||
| 440 | L | 34 | Very low | 45.8 | Very low | 138 Ų | 138 | 133 Ų | 133 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 2 | -178.6 | -78.7 | 173.5 | 0 | 0 | 0 | 115 | ||
| 441 | L | 40.9 | Very low | 47.5 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -11.9 | -174.7 | -81.5 | 163.6 | 0 | 0 | 0 | 115.3 | S443 | L441-S443 VanDerWaalsContact C-N 3.33Å; L441-S443 PolarHBondContact O-N 2.98Å |
| 442 | E | 39.5 | Very low | 49.4 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -78.2 | -15.2 | -178.4 | -88.1 | -178.2 | 154 | 0 | 0 | 114.1 | F439 | F439-E442 WeakPolarHBondContact CE1-OE2 3.43Š|
| 443 | S | 44 | Very low | 50.9 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -92.2 | -18 | -175.9 | -50.8 | 0 | 0 | 0 | 0 | 114.8 | L441 | L441-S443 VanDerWaalsContact C-N 3.33Å; L441-S443 PolarHBondContact O-N 2.98Å |
| 444 | D | 55 | Low | 52.3 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -108.7 | 10 | -173.6 | -73.3 | -22.4 | 0 | 0 | 0 | 113.6 | K446 | D444-K446 PolarHBondContact O-N 3.2Š|
| 445 | W | 69.8 | Low | 53.7 | Low | 184 Ų | 184 | 118.8 Ų | 118.8 | 70% | 0.697 | 61% | 0.613 | S | S | * | * | trans | -71.7 | 117.6 | 178.7 | -173 | 88.8 | 0 | 0 | 0 | 110.8 | P447 | W445-P447 HydrophobicContact CH2-CB 4.03Å; W445-P447 HydrophobicContact CZ3-CB 4.28Å | ||
| 446 | K | 65.5 | Low | 54.9 | Low | 178 Ų | 178 | 122.4 Ų | 122.4 | 77% | 0.774 | 61% | 0.609 | S | S | * | * | trans | -111.2 | 140.7 | 168.7 | -69.1 | -177.4 | -179 | 176.2 | 0 | 109.3 | D444 | D444-K446 PolarHBondContact O-N 3.2Š| ||
| 447 | P | 72.3 | Confident | 56 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148 | 174.5 | 26 | -32.6 | 0 | 0 | 0 | 110.5 | W445 | W445-P447 HydrophobicContact CH2-CB 4.03Å; W445-P447 HydrophobicContact CZ3-CB 4.28Å |
| 448 | D | 69.5 | Low | 57 | Low | 78 Ų | 78 | 111 Ų | 111 | 42% | 0.417 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 144.2 | 178.4 | -75.4 | -16.6 | 0 | 0 | 0 | 111 | A452 S458 R461 | D448-A452 HydrophobicContact CB-CB 3.78Å; D448-S458 PolarHBondContact OD1-OG 3.38Å; D448-R461 IonicContact OD1-NH1 3.35Å; D448-R461 PolarHBondContact OD1-NH1 2.93Å; D448-R461 IonicContact OD2-CZ 2.78Å; D448-R461 IonicContact OD2-NH1 2.69Å; D448-R461 PolarHBondContact OD2-NH1 2.9Å |
| 449 | P | 73.4 | Confident | 58 | Low | 24 Ų | 24 | 110 Ų | 110 | 16% | 0.156 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -59.3 | 156 | 173.3 | -20.9 | 31.8 | 0 | 0 | 0 | 112.5 | R298 T340 L342 E451 A452 | R298-P449 VanDerWaalsContact NH1-CB 3.35Å; T340-P449 HydrophobicContact CG2-CG 3.84Å; L342-P449 HydrophobicContact CD2-CB 4.35Å; L342-P449 HydrophobicContact CD2-CG 4.43Å; P449-E451 WeakPolarHBondContact CB-OE2 3.16Å; P449-E451 PolarHBondContact O-N 2.92Å; P449-E451 VanDerWaalsContact O-N 3.12Å; P449-A452 WeakPolarHBondContact O-CB 3.28Å; P449-A452 PolarHBondContact O-N 3.31Å |
| 450 | I | 73.6 | Confident | 59.1 | Low | 139 Ų | 139 | 105.1 Ų | 105.1 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -57.2 | -33.5 | -179 | -59.8 | 170 | 0 | 0 | 0 | 111.1 | A452 L453 | I450-A452 PolarHBondContact O-N 3.35Å; I450-A452 VanDerWaalsContact O-N 3.16Å; I450-L453 HydrophobicContact CG2-CD1 3.78Å; I450-L453 WeakPolarHBondContact O-CB 3.43Å; I450-L453 VanDerWaalsContact O-CD1 3.3Å; I450-L453 WeakPolarHBondContact O-CD1 3.45Å; I450-L453 VanDerWaalsContact O-CG 3.25Å; I450-L453 WeakPolarHBondContact O-CG 3.43Å; I450-L453 PolarHBondContact O-N 3.25Å; I450-L453 VanDerWaalsContact O-N 3.15Å |
| 451 | E | 73.9 | Confident | 60.5 | Low | 68 Ų | 68 | 98.9 Ų | 98.9 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -65.2 | -17.7 | 178.8 | -55.8 | 83.2 | -171.8 | 0 | 0 | 113.1 | R298 L342 P449 L453 | R298-E451 IonicContact CZ-OE2 3.44Å; R298-E451 IonicContact NH1-OE1 3.47Å; R298-E451 IonicContact NH1-OE2 2.68Å; R298-E451 PolarHBondContact NH1-OE2 3.21Å; L342-E451 HydrophobicContact CD2-CB 3.7Å; P449-E451 WeakPolarHBondContact CB-OE2 3.16Å; P449-E451 PolarHBondContact O-N 2.92Å; P449-E451 VanDerWaalsContact O-N 3.12Å; E451-L453 VanDerWaalsContact C-N 3.27Å; E451-L453 PolarHBondContact O-N 2.92Å |
| 452 | A | 73.3 | Confident | 61.7 | Low | 7 Ų | 7 | 99.8 Ų | 99.8 | 6% | 0.058 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -74.1 | -13.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L342 D448 P449 I450 C454 Q455 | L342-A452 HydrophobicContact CD1-CB 3.75Å; L342-A452 HydrophobicContact CD2-CB 4.34Å; D448-A452 HydrophobicContact CB-CB 3.78Å; P449-A452 WeakPolarHBondContact O-CB 3.28Å; P449-A452 PolarHBondContact O-N 3.31Å; I450-A452 PolarHBondContact O-N 3.35Å; I450-A452 VanDerWaalsContact O-N 3.16Å; A452-C454 PolarHBondContact O-N 3.45Å; A452-Q455 PolarHBondContact O-N 3.05Å |
| 453 | L | 65.3 | Low | 63.3 | Low | 149 Ų | 149 | 93.3 Ų | 93.3 | 78% | 0.78 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.5 | -176.8 | -77.3 | 165.1 | 0 | 0 | 0 | 113.4 | I450 E451 | I450-L453 HydrophobicContact CG2-CD1 3.78Å; I450-L453 WeakPolarHBondContact O-CB 3.43Å; I450-L453 VanDerWaalsContact O-CD1 3.3Å; I450-L453 WeakPolarHBondContact O-CD1 3.45Å; I450-L453 VanDerWaalsContact O-CG 3.25Å; I450-L453 WeakPolarHBondContact O-CG 3.43Å; I450-L453 PolarHBondContact O-N 3.25Å; I450-L453 VanDerWaalsContact O-N 3.15Å; E451-L453 VanDerWaalsContact C-N 3.27Å; E451-L453 PolarHBondContact O-N 2.92Å |
| 454 | C | 58.5 | Low | 65 | Low | 129 Ų | 129 | 89.4 Ų | 89.4 | 87% | 0.872 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -89.4 | -2 | 179.8 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | A452 | A452-C454 PolarHBondContact O-N 3.45Š|
| 455 | Q | 60.3 | Low | 66.4 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 15% | 0.15 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -111.9 | 127.9 | -177.6 | -72.3 | -163 | -36.5 | 0 | 0 | 111.8 | D345 I346 A452 | D345-Q455 PolarHBondContact OD2-OE1 3.12Å; I346-Q455 VanDerWaalsContact CD1-CD 3.44Å; I346-Q455 HydrophobicContact CD1-CG 4.13Å; A452-Q455 PolarHBondContact O-N 3.05Å |
| 456 | R | 50.4 | Low | 67.1 | Low | 191 Ų | 191 | 74.1 Ų | 74.1 | 72% | 0.721 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -76 | 127.4 | 170.6 | -79.9 | -169.3 | 179 | -161.2 | -1.2 | 110.1 | E413 | E413-R456 IonicContact OE1-CZ 3.06Å; E413-R456 IonicContact OE1-NH1 2.77Å; E413-R456 PolarHBondContact OE1-NH1 2.79Å; E413-R456 IonicContact OE2-CZ 3.24Å; E413-R456 IonicContact OE2-NH1 3.91Å; E413-R456 PolarHBondContact OE2-NH1 3.34Å; E413-R456 IonicContact OE2-NH2 2.86Å |
| 457 | G | 55.5 | Low | 67.9 | Low | 32 Ų | 32 | 65.7 Ų | 65.7 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | trans | 92.8 | 90.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | W459 R460 | G457-W459 PolarHBondContact O-N 2.91Å; G457-R460 PolarHBondContact O-N 3.19Å | ||
| 458 | S | 56.2 | Low | 68.4 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -53.2 | -20.5 | 167.4 | -173.1 | 0 | 0 | 0 | 0 | 113 | D448 R461 | D448-S458 PolarHBondContact OD1-OG 3.38Å; S458-R461 WeakPolarHBondContact O-CB 3.21Å; S458-R461 PolarHBondContact O-N 3.42Å |
| 459 | W | 53.2 | Low | 69.2 | Low | 137 Ų | 137 | 58 Ų | 58 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -65.7 | -40.1 | -177.5 | -131.6 | 75.6 | 0 | 0 | 0 | 114 | E405 G457 R461 K462 L463 | E405-W459 HydrophobicContact CB-CH2 3.76Å; E405-W459 HydrophobicContact CB-CZ3 3.78Å; E405-W459 HydrophobicContact CG-CH2 3.89Å; E405-W459 HydrophobicContact CG-CZ3 4.43Å; E405-W459 WeakPolarHBondContact OE2-CH2 3.42Å; G457-W459 PolarHBondContact O-N 2.91Å; W459-R461 PolarHBondContact O-N 2.94Å; W459-K462 PolarHBondContact O-N 2.95Å; W459-L463 HydrophobicContact CE3-CD1 3.68Å; W459-L463 HydrophobicContact CZ3-CD1 3.94Å; W459-L463 WeakPolarHBondContact O-CD1 3.34Å |
| 460 | R | 56.6 | Low | 69.7 | Low | 69 Ų | 69 | 57 Ų | 57 | 26% | 0.26 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -58.7 | -26.7 | -178.3 | -76.2 | -171.1 | 173.8 | -102 | -3.3 | 113.7 | E407 G457 K462 S471 | E407-R460 IonicContact OE1-NE 2.68Å; E407-R460 PolarHBondContact OE1-NE 3.26Å; E407-R460 IonicContact OE2-CZ 3.57Å; E407-R460 IonicContact OE2-NE 2.53Å; E407-R460 PolarHBondContact OE2-NE 3.2Å; E407-R460 IonicContact OE2-NH2 3.86Å; E407-R460 PolarHBondContact OE2-NH2 3.45Å; G457-R460 PolarHBondContact O-N 3.19Å; R460-K462 VanDerWaalsContact C-N 3.31Å; R460-K462 PolarHBondContact O-N 3.47Å; R460-S471 PolarHBondContact NH1-OG 3.48Å; R460-S471 VanDerWaalsContact NH1-OG 3.1Å |
| 461 | R | 64.1 | Low | 70.1 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -67.9 | -27.1 | -176.6 | -66.7 | -172.6 | -159.2 | 125.7 | 5.7 | 113.2 | T340 F341 D448 S458 W459 | T340-R461 VanDerWaalsContact O-CD 3.28Å; T340-R461 WeakPolarHBondContact O-CD 3.1Å; F341-R461 HydrophobicContact CB-CB 3.81Å; F341-R461 HydrophobicContact CB-CG 4.18Å; F341-R461 HydrophobicContact CD2-CB 4.08Å; F341-R461 WeakPolarHBondContact CD2-O 3.42Å; F341-R461 HydrophobicContact CG-CB 4.4Å; F341-R461 WeakPolarHBondContact CG-O 3.39Å; D448-R461 IonicContact OD1-NH1 3.35Å; D448-R461 PolarHBondContact OD1-NH1 2.93Å; D448-R461 IonicContact OD2-CZ 2.78Å; D448-R461 IonicContact OD2-NH1 2.69Å; D448-R461 PolarHBondContact OD2-NH1 2.9Å; S458-R461 WeakPolarHBondContact O-CB 3.21Å; S458-R461 PolarHBondContact O-N 3.42Å; W459-R461 PolarHBondContact O-N 2.94Å |
| 462 | K | 67 | Low | 70.4 | Confident | 143 Ų | 143 | 48.3 Ų | 48.3 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -96.8 | -9.8 | -177.3 | -67.8 | -175.8 | 179.8 | -179.4 | 0 | 114.7 | W459 R460 | W459-K462 PolarHBondContact O-N 2.95Å; R460-K462 VanDerWaalsContact C-N 3.31Å; R460-K462 PolarHBondContact O-N 3.47Å |
| 463 | L | 72.5 | Confident | 70.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -64.4 | 142.5 | -179.8 | -89.2 | 69.5 | 0 | 0 | 0 | 110.8 | R335 E405 W459 | R335-L463 PolarHBondContact NH2-O 3.11Å; E405-L463 HydrophobicContact CB-CG 4.4Å; E405-L463 VanDerWaalsContact O-CD2 3.31Å; E405-L463 WeakPolarHBondContact O-CD2 3.31Å; W459-L463 HydrophobicContact CE3-CD1 3.68Å; W459-L463 HydrophobicContact CZ3-CD1 3.94Å; W459-L463 WeakPolarHBondContact O-CD1 3.34Å | ||
| 464 | D | 79.7 | Confident | 70.9 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | trans | -71.8 | 172.8 | 169 | 62.5 | 24 | 0 | 0 | 0 | 112.4 | L466 S467 M468 R512 | D464-L466 VanDerWaalsContact C-N 3.33Å; D464-L466 PolarHBondContact O-N 3.36Å; D464-S467 PolarHBondContact O-N 2.87Å; D464-S467 WeakPolarHBondContact OD1-CA 3.36Å; D464-S467 WeakPolarHBondContact OD1-CB 3.32Å; D464-S467 PolarHBondContact OD1-N 3.25Å; D464-S467 PolarHBondContact OD1-OG 3.32Å; D464-M468 WeakPolarHBondContact O-CB 3.45Å; D464-M468 PolarHBondContact O-N 3.09Å; D464-R512 IonicContact OD2-CZ 3.13Å; D464-R512 IonicContact OD2-NH1 3.53Å; D464-R512 PolarHBondContact OD2-NH1 3.39Å; D464-R512 IonicContact OD2-NH2 2.7Å; D464-R512 PolarHBondContact OD2-NH2 3.22Å | ||
| 465 | L | 84.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | -174.5 | 175.9 | 64.9 | 0 | 0 | 0 | 111.8 | Y327 N328 V331 L394 E397 M468 L469 | Y327-L465 HydrophobicContact CD1-CD1 4Å; Y327-L465 HydrophobicContact CE1-CD1 4.02Å; N328-L465 HydrophobicContact CB-CD2 3.92Å; N328-L465 WeakPolarHBondContact OD1-CD2 3.48Å; V331-L465 HydrophobicContact CB-CD1 3.97Å; V331-L465 HydrophobicContact CG1-CD1 3.98Å; V331-L465 HydrophobicContact CG2-CD1 3.94Å; L394-L465 HydrophobicContact CD2-CD2 3.69Å; L394-L465 HydrophobicContact CD2-CG 4.15Å; E397-L465 HydrophobicContact CG-CB 4.15Å; E397-L465 HydrophobicContact CG-CD2 4.07Å; L465-M468 PolarHBondContact O-N 2.99Å; L465-L469 HydrophobicContact CD1-CD1 4.49Å; L465-L469 HydrophobicContact CD1-CG 4.45Å; L465-L469 HydrophobicContact CG-CD1 4.31Å; L465-L469 WeakPolarHBondContact O-CG 3.41Å; L465-L469 PolarHBondContact O-N 3.44Å |
| 466 | L | 83.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 180 | -175.3 | 63.3 | 0 | 0 | 0 | 111.4 | L369 E397 L398 L404 D464 M468 L469 V470 R512 F513 | L369-L466 HydrophobicContact CD1-CD1 3.85Å; L369-L466 HydrophobicContact CD2-CD1 4.22Å; E397-L466 HydrophobicContact CB-CB 4.45Å; L398-L466 HydrophobicContact CD2-CD2 3.69Å; L404-L466 HydrophobicContact CD1-CB 4.16Å; L404-L466 HydrophobicContact CD1-CD2 3.79Å; L404-L466 HydrophobicContact CD1-CG 3.69Å; D464-L466 VanDerWaalsContact C-N 3.33Å; D464-L466 PolarHBondContact O-N 3.36Å; L466-M468 VanDerWaalsContact C-N 3.29Å; L466-M468 PolarHBondContact O-N 2.91Å; L466-L469 PolarHBondContact O-N 2.99Å; L466-V470 HydrophobicContact CD1-CG2 4.49Å; L466-V470 WeakPolarHBondContact O-CG2 3.14Å; L466-V470 PolarHBondContact O-N 3.27Å; L466-R512 HydrophobicContact CD2-CG 4.26Å; L466-F513 HydrophobicContact CD2-CE2 4.4Å |
| 467 | S | 83 | Confident | 74 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | L404 E405 D464 V470 S471 | L404-S467 WeakPolarHBondContact CD1-OG 3.35Å; E405-S467 PolarHBondContact N-OG 3.39Å; E405-S467 WeakPolarHBondContact O-CB 3.33Å; D464-S467 PolarHBondContact O-N 2.87Å; D464-S467 WeakPolarHBondContact OD1-CA 3.36Å; D464-S467 WeakPolarHBondContact OD1-CB 3.32Å; D464-S467 PolarHBondContact OD1-N 3.25Å; D464-S467 PolarHBondContact OD1-OG 3.32Å; S467-V470 PolarHBondContact O-N 2.88Å; S467-S471 VanDerWaalsContact O-CB 3.3Å; S467-S471 WeakPolarHBondContact O-CB 3.4Å; S467-S471 PolarHBondContact O-N 3.08Å |
| 468 | M | 83.4 | Confident | 75.2 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.7 | -173 | 171.4 | -85 | 0 | 0 | 111.1 | Y327 V331 Q344 D464 L465 L466 V470 S471 I472 | Y327-M468 HydrophobicContact CE1-CG 4.39Å; Y327-M468 HydrophobicContact CE1-SD 4.39Å; Y327-M468 WeakPolarHBondContact OH-CG 3.41Å; Y327-M468 PolarHBondContact OH-SD 3.5Å; V331-M468 HydrophobicContact CG2-SD 3.85Å; Q344-M468 PolarHBondContact NE2-SD 3.42Å; D464-M468 WeakPolarHBondContact O-CB 3.45Å; D464-M468 PolarHBondContact O-N 3.09Å; L465-M468 PolarHBondContact O-N 2.99Å; L466-M468 VanDerWaalsContact C-N 3.29Å; L466-M468 PolarHBondContact O-N 2.91Å; M468-V470 PolarHBondContact O-N 2.97Å; M468-S471 WeakPolarHBondContact O-CB 3.42Å; M468-S471 PolarHBondContact O-N 2.67Å; M468-S471 PolarHBondContact O-OG 3.35Å; M468-I472 WeakPolarHBondContact O-CG1 3.48Å; M468-I472 PolarHBondContact O-N 3.04Å |
| 469 | L | 85.9 | Confident | 76.5 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.5 | -76.1 | 173 | 0 | 0 | 0 | 112.8 | L324 Y327 I365 L394 L465 L466 S471 I472 Y473 | L324-L469 HydrophobicContact CD2-CD2 4.03Å; Y327-L469 HydrophobicContact CD1-CD2 3.65Å; Y327-L469 HydrophobicContact CD1-CG 4.34Å; Y327-L469 HydrophobicContact CE1-CD2 3.62Å; Y327-L469 HydrophobicContact CE1-CG 4.11Å; I365-L469 HydrophobicContact CD1-CD2 4.18Å; I365-L469 HydrophobicContact CG2-CD1 4.36Å; L394-L469 HydrophobicContact CD2-CD1 3.52Å; L465-L469 HydrophobicContact CD1-CD1 4.49Å; L465-L469 HydrophobicContact CD1-CG 4.45Å; L465-L469 HydrophobicContact CG-CD1 4.31Å; L465-L469 WeakPolarHBondContact O-CG 3.41Å; L465-L469 PolarHBondContact O-N 3.44Å; L466-L469 PolarHBondContact O-N 2.99Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.94Å; L469-I472 HydrophobicContact CD2-CD1 4.07Å; L469-I472 WeakPolarHBondContact O-CB 3.45Å; L469-I472 PolarHBondContact O-N 3.47Å; L469-Y473 WeakPolarHBondContact O-CD2 3.15Å |
| 470 | V | 84.1 | Confident | 78.1 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L404 V406 L466 S467 M468 I472 Y473 G474 K476 F479 F513 | L404-V470 HydrophobicContact CD2-CB 3.88Å; L404-V470 HydrophobicContact CD2-CG1 3.8Å; L404-V470 HydrophobicContact CD2-CG2 3.86Å; V406-V470 HydrophobicContact CG2-CB 4.4Å; V406-V470 HydrophobicContact CG2-CG1 3.81Å; L466-V470 HydrophobicContact CD1-CG2 4.49Å; L466-V470 WeakPolarHBondContact O-CG2 3.14Å; L466-V470 PolarHBondContact O-N 3.27Å; S467-V470 PolarHBondContact O-N 2.88Å; M468-V470 PolarHBondContact O-N 2.97Å; V470-I472 PolarHBondContact O-N 2.95Å; V470-Y473 PolarHBondContact O-N 3.44Å; V470-G474 PolarHBondContact O-N 3.23Å; V470-K476 HydrophobicContact CG1-CG 4.21Å; V470-F479 HydrophobicContact CG2-CD2 4.44Å; V470-F513 HydrophobicContact CG1-CE1 4.46Å; V470-F513 HydrophobicContact CG2-CE1 4.15Å; V470-F513 HydrophobicContact CG2-CZ 3.89Å |
| 471 | S | 81 | Confident | 79.4 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -26.1 | 176.9 | 85.4 | 0 | 0 | 0 | 0 | 113.6 | R460 S467 M468 L469 Y473 G474 | R460-S471 PolarHBondContact NH1-OG 3.48Å; R460-S471 VanDerWaalsContact NH1-OG 3.1Å; S467-S471 VanDerWaalsContact O-CB 3.3Å; S467-S471 WeakPolarHBondContact O-CB 3.4Å; S467-S471 PolarHBondContact O-N 3.08Å; M468-S471 WeakPolarHBondContact O-CB 3.42Å; M468-S471 PolarHBondContact O-N 2.67Å; M468-S471 PolarHBondContact O-OG 3.35Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.94Å; S471-Y473 PolarHBondContact O-N 3.5Å; S471-G474 WeakPolarHBondContact O-CA 3.38Å; S471-G474 PolarHBondContact O-N 3.15Å |
| 472 | I | 81.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.2 | -61.5 | 172.3 | 0 | 0 | 0 | 110.7 | Y327 S352 L355 R356 M468 L469 V470 G474 | Y327-I472 HydrophobicContact CE1-CD1 4.37Å; S352-I472 VanDerWaalsContact O-CG2 3.27Å; S352-I472 WeakPolarHBondContact O-CG2 3.25Å; L355-I472 HydrophobicContact CD1-CD1 4.17Å; R356-I472 HydrophobicContact CB-CG2 3.91Å; M468-I472 WeakPolarHBondContact O-CG1 3.48Å; M468-I472 PolarHBondContact O-N 3.04Å; L469-I472 HydrophobicContact CD2-CD1 4.07Å; L469-I472 WeakPolarHBondContact O-CB 3.45Å; L469-I472 PolarHBondContact O-N 3.47Å; V470-I472 PolarHBondContact O-N 2.95Å; I472-G474 VanDerWaalsContact C-N 3.33Å |
| 473 | Y | 78 | Confident | 81.4 | Confident | 48 Ų | 48 | 24.5 Ų | 24.5 | 19% | 0.188 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5 | 178.7 | -59.8 | -79.7 | 0 | 0 | 0 | 112.7 | L355 A361 V362 I365 L469 V470 S471 S475 | L355-Y473 PolarHBondContact O-OH 3.08Å; A361-Y473 WeakPolarHBondContact CB-OH 2.98Å; V362-Y473 HydrophobicContact CG2-CD1 3.45Å; V362-Y473 VanDerWaalsContact CG2-CD1 3.45Å; V362-Y473 HydrophobicContact CG2-CD2 3.95Å; V362-Y473 HydrophobicContact CG2-CE1 3.26Å; V362-Y473 HydrophobicContact CG2-CE2 3.79Å; V362-Y473 HydrophobicContact CG2-CG 3.79Å; V362-Y473 VanDerWaalsContact CG2-CZ 3.43Å; I365-Y473 HydrophobicContact CD1-CE2 3.84Å; L469-Y473 WeakPolarHBondContact O-CD2 3.15Å; V470-Y473 PolarHBondContact O-N 3.44Å; S471-Y473 PolarHBondContact O-N 3.5Å; Y473-S475 PolarHBondContact O-N 3.46Å |
| 474 | G | 69.5 | Low | 82.1 | Confident | 12 Ų | 12 | 25.8 Ų | 25.8 | 12% | 0.124 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 75.8 | -19.8 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | L409 V470 S471 I472 | L409-G474 WeakPolarHBondContact CD1-O 3.24Å; V470-G474 PolarHBondContact O-N 3.23Å; S471-G474 WeakPolarHBondContact O-CA 3.38Å; S471-G474 PolarHBondContact O-N 3.15Å; I472-G474 VanDerWaalsContact C-N 3.33Å |
| 475 | S | 75.5 | Confident | 82.5 | Confident | 48 Ų | 48 | 25.2 Ų | 25.2 | 34% | 0.336 | 13% | 0.134 | S | C | . | . | trans | -135.5 | 138.4 | 177.6 | 76 | 0 | 0 | 0 | 0 | 111.7 | Y473 K477 A478 | Y473-S475 PolarHBondContact O-N 3.46Å; S475-K477 PolarHBondContact O-N 3.45Å; S475-A478 PolarHBondContact O-N 2.97Å; S475-A478 PolarHBondContact OG-N 3.45Å | ||
| 476 | K | 81.9 | Confident | 82.6 | Confident | 62 Ų | 62 | 25.6 Ų | 25.6 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -57.5 | -29.6 | 167.5 | -62.8 | -178.5 | -178.2 | -174.5 | 0 | 111.3 | L404 V406 V470 A478 F479 L480 F513 | L404-K476 HydrophobicContact CD2-CD 4.47Å; L404-K476 HydrophobicContact CD2-CG 4.29Å; L404-K476 WeakPolarHBondContact O-CE 3.23Å; L404-K476 PolarHBondContact O-NZ 3.43Å; V406-K476 HydrophobicContact CB-CG 4.36Å; V406-K476 HydrophobicContact CG2-CD 4.24Å; V406-K476 HydrophobicContact CG2-CG 3.79Å; V470-K476 HydrophobicContact CG1-CG 4.21Å; K476-A478 PolarHBondContact O-N 2.53Å; K476-F479 WeakPolarHBondContact O-CB 2.9Å; K476-F479 PolarHBondContact O-N 3.46Å; K476-L480 HydrophobicContact CB-CD1 4.47Å; K476-L480 VanDerWaalsContact O-CG 3.29Å; K476-L480 WeakPolarHBondContact O-CG 3.32Å; K476-L480 PolarHBondContact O-N 2.9Å; K476-L480 VanDerWaalsContact O-N 3.08Å; K476-F513 HydrophobicContact CB-CD1 4.25Å; K476-F513 HydrophobicContact CB-CE1 4.44Å; K476-F513 HydrophobicContact CD-CD1 4.45Å; K476-F513 HydrophobicContact CG-CD1 4.38Å |
| 477 | K | 79 | Confident | 82.8 | Confident | 111 Ų | 111 | 25.6 Ų | 25.6 | 48% | 0.483 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | -176.9 | -69.3 | -176.2 | 178.7 | 175.6 | 0 | 113.3 | S475 F479 L480 V481 S855 | S475-K477 PolarHBondContact O-N 3.45Å; K477-F479 VanDerWaalsContact C-N 3.28Å; K477-F479 PolarHBondContact O-N 2.94Å; K477-L480 PolarHBondContact O-N 3.28Å; K477-V481 WeakPolarHBondContact O-CG2 3.43Å; K477-V481 PolarHBondContact O-N 3.45Å; K477-S855 PolarHBondContact NZ-O 3.26Å |
| 478 | A | 78.7 | Confident | 83 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 31% | 0.306 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S475 K476 E482 | S475-A478 PolarHBondContact O-N 2.97Å; S475-A478 PolarHBondContact OG-N 3.45Å; K476-A478 PolarHBondContact O-N 2.53Å; A478-E482 PolarHBondContact O-N 3.2Å |
| 479 | F | 84.6 | Confident | 83 | Confident | 11 Ų | 11 | 25.4 Ų | 25.4 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 175.2 | -178.2 | -87.6 | 0 | 0 | 0 | 111.9 | I365 V366 L369 V470 K476 K477 V481 E482 Y483 L509 F513 | I365-F479 HydrophobicContact CG2-CE2 4.15Å; V366-F479 HydrophobicContact CB-CE2 4.39Å; V366-F479 HydrophobicContact CG2-CD2 3.66Å; V366-F479 HydrophobicContact CG2-CE1 4.43Å; V366-F479 HydrophobicContact CG2-CE2 3.37Å; V366-F479 HydrophobicContact CG2-CG 4.31Å; V366-F479 HydrophobicContact CG2-CZ 3.8Å; L369-F479 HydrophobicContact CD1-CE2 3.58Å; L369-F479 HydrophobicContact CD1-CZ 3.43Å; L369-F479 VanDerWaalsContact CD1-CZ 3.43Å; V470-F479 HydrophobicContact CG2-CD2 4.44Å; K476-F479 WeakPolarHBondContact O-CB 2.9Å; K476-F479 PolarHBondContact O-N 3.46Å; K477-F479 VanDerWaalsContact C-N 3.28Å; K477-F479 PolarHBondContact O-N 2.94Å; F479-V481 VanDerWaalsContact C-N 3.35Å; F479-V481 PolarHBondContact O-N 2.96Å; F479-E482 PolarHBondContact O-N 3.16Å; F479-Y483 WeakPolarHBondContact O-CB 3.26Å; F479-Y483 PolarHBondContact O-N 3.2Å; F479-L509 HydrophobicContact CE1-CD2 3.99Å; F479-L509 HydrophobicContact CZ-CD2 4.31Å; F479-F513 HydrophobicContact CB-CE1 4.43Å; F479-F513 HydrophobicContact CD1-CD1 4.42Å; F479-F513 AromaticContact CD1-CE1 3.58Å; F479-F513 HydrophobicContact CD1-CE1 3.58Å; F479-F513 HydrophobicContact CD1-CE2 4.03Å; F479-F513 AromaticContact CD1-CZ 3.34Å; F479-F513 HydrophobicContact CD1-CZ 3.34Å; F479-F513 HydrophobicContact CE1-CE1 4.11Å; F479-F513 AromaticContact CE1-CE2 3.69Å; F479-F513 HydrophobicContact CE1-CE2 3.69Å; F479-F513 AromaticContact CE1-CZ 3.43Å; F479-F513 HydrophobicContact CE1-CZ 3.43Å; F479-F513 VanDerWaalsContact CE1-CZ 3.43Å; F479-F513 HydrophobicContact CG-CE1 4.12Å; F479-F513 AromaticContact CG-CZ 3.95Å; F479-F513 HydrophobicContact CG-CZ 3.95Å; F479-F513 HydrophobicContact CZ-CE2 4.33Å; F479-F513 HydrophobicContact CZ-CZ 4.09Å |
| 480 | L | 85.9 | Confident | 83 | Confident | 21 Ų | 21 | 27.4 Ų | 27.4 | 11% | 0.11 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | -178.9 | -67.4 | 164.4 | 0 | 0 | 0 | 112.8 | K476 K477 Y483 K484 F513 N517 L518 | K476-L480 HydrophobicContact CB-CD1 4.47Å; K476-L480 VanDerWaalsContact O-CG 3.29Å; K476-L480 WeakPolarHBondContact O-CG 3.32Å; K476-L480 PolarHBondContact O-N 2.9Å; K476-L480 VanDerWaalsContact O-N 3.08Å; K477-L480 PolarHBondContact O-N 3.28Å; L480-Y483 PolarHBondContact O-N 2.82Å; L480-K484 VanDerWaalsContact O-CB 3.32Å; L480-K484 WeakPolarHBondContact O-CB 3.33Å; L480-K484 PolarHBondContact O-N 3.35Å; L480-F513 HydrophobicContact CD2-CB 4.4Å; L480-F513 HydrophobicContact CD2-CD1 4.25Å; L480-F513 HydrophobicContact CD2-CG 4.38Å; L480-F513 HydrophobicContact CG-CD1 4.46Å; L480-N517 HydrophobicContact CD1-CB 3.67Å; L480-N517 HydrophobicContact CD2-CB 4.36Å; L480-L518 HydrophobicContact CD2-CD2 3.78Å; L480-L518 HydrophobicContact CD2-CG 4.05Å |
| 481 | V | 84.2 | Confident | 83.1 | Confident | 59 Ų | 59 | 27.4 Ų | 27.4 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | K477 F479 K484 Q485 V811 | K477-V481 WeakPolarHBondContact O-CG2 3.43Å; K477-V481 PolarHBondContact O-N 3.45Å; F479-V481 VanDerWaalsContact C-N 3.35Å; F479-V481 PolarHBondContact O-N 2.96Å; V481-K484 PolarHBondContact O-N 3.13Å; V481-Q485 WeakPolarHBondContact O-CB 3.15Å; V481-Q485 PolarHBondContact O-N 3.29Å; V481-V811 HydrophobicContact CG1-CG2 3.92Å |
| 482 | E | 84.5 | Confident | 83.2 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 17% | 0.173 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 177.1 | -73.9 | -62.3 | 155.8 | 0 | 0 | 112.1 | V362 V366 A478 F479 K484 Q485 L486 V811 | V362-E482 HydrophobicContact CB-CG 4.14Å; V362-E482 HydrophobicContact CG1-CB 3.79Å; V362-E482 HydrophobicContact CG1-CG 3.68Å; V366-E482 HydrophobicContact CG2-CB 4.22Å; A478-E482 PolarHBondContact O-N 3.2Å; F479-E482 PolarHBondContact O-N 3.16Å; E482-K484 PolarHBondContact O-N 2.95Å; E482-Q485 PolarHBondContact O-N 3.34Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 3.32Å; E482-V811 WeakPolarHBondContact OE1-CG2 3.08Å |
| 483 | Y | 88.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.7 | -50.5 | 172.7 | 176 | -104.3 | 0 | 0 | 0 | 111.5 | V366 I370 F479 L480 Q485 L486 L487 L509 L518 C521 | V366-Y483 HydrophobicContact CG1-CD2 4.08Å; I370-Y483 HydrophobicContact CD1-CD2 3.46Å; I370-Y483 VanDerWaalsContact CD1-CD2 3.46Å; I370-Y483 HydrophobicContact CD1-CE2 3.35Å; I370-Y483 HydrophobicContact CG1-CD2 4.11Å; I370-Y483 HydrophobicContact CG1-CE2 3.74Å; F479-Y483 WeakPolarHBondContact O-CB 3.26Å; F479-Y483 PolarHBondContact O-N 3.2Å; L480-Y483 PolarHBondContact O-N 2.82Å; Y483-Q485 VanDerWaalsContact C-N 3.3Å; Y483-Q485 PolarHBondContact O-N 3.36Å; Y483-L486 PolarHBondContact O-N 3.46Å; Y483-L487 HydrophobicContact CE1-CD2 4.1Å; Y483-L487 VanDerWaalsContact O-CB 3.23Å; Y483-L487 WeakPolarHBondContact O-CB 3.48Å; Y483-L487 PolarHBondContact O-N 3.42Å; Y483-L509 HydrophobicContact CD2-CD1 3.86Å; Y483-L509 HydrophobicContact CE1-CD1 4.15Å; Y483-L509 HydrophobicContact CE2-CD1 3.32Å; Y483-L518 HydrophobicContact CD1-CD2 3.84Å; Y483-L518 HydrophobicContact CE1-CD2 3.72Å; Y483-C521 HydrophobicContact CD1-CB 4.45Å; Y483-C521 VanDerWaalsContact CD1-SG 3.59Å; Y483-C521 HydrophobicContact CE1-CB 3.85Å; Y483-C521 VanDerWaalsContact CE1-SG 3.59Å |
| 484 | K | 88.2 | Confident | 82.8 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 176.1 | -177.8 | -173.5 | 174.6 | 166.7 | 0 | 111.5 | L480 V481 E482 S488 E520 M524 Y628 P630 | L480-K484 VanDerWaalsContact O-CB 3.32Å; L480-K484 WeakPolarHBondContact O-CB 3.33Å; L480-K484 PolarHBondContact O-N 3.35Å; V481-K484 PolarHBondContact O-N 3.13Å; E482-K484 PolarHBondContact O-N 2.95Å; K484-S488 WeakPolarHBondContact O-CB 3.34Å; K484-S488 PolarHBondContact O-N 3.3Å; K484-E520 WeakPolarHBondContact CE-OE2 3.35Å; K484-E520 IonicContact NZ-OE2 3.1Å; K484-E520 PolarHBondContact NZ-OE2 3.23Å; K484-M524 HydrophobicContact CG-SD 3.91Å; K484-Y628 WeakPolarHBondContact CE-O 3.26Å; K484-Y628 PolarHBondContact NZ-O 3.48Å; K484-P630 HydrophobicContact CD-CG 4.31Å; K484-P630 HydrophobicContact CG-CG 4.01Å |
| 485 | Q | 86.4 | Confident | 82.7 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | -179.8 | -172.2 | 142.9 | -5 | 0 | 0 | 111.7 | V481 E482 Y483 S488 Q489 V808 A809 | V481-Q485 WeakPolarHBondContact O-CB 3.15Å; V481-Q485 PolarHBondContact O-N 3.29Å; E482-Q485 PolarHBondContact O-N 3.34Å; Y483-Q485 VanDerWaalsContact C-N 3.3Å; Y483-Q485 PolarHBondContact O-N 3.36Å; Q485-S488 PolarHBondContact O-N 3.22Å; Q485-S488 PolarHBondContact O-OG 2.9Å; Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.36Å; Q485-Q489 VanDerWaalsContact O-N 3.1Å; Q485-V808 HydrophobicContact CG-CB 4.23Å; Q485-V808 HydrophobicContact CG-CG1 3.93Å; Q485-A809 PolarHBondContact NE2-O 3.28Å |
| 486 | L | 86.5 | Confident | 82.7 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | 179.4 | -164.4 | 130.7 | 0 | 0 | 0 | 112 | R363 V366 D367 I370 E482 Y483 S488 Q489 R490 | R363-L486 HydrophobicContact CG-CD1 3.82Å; V366-L486 HydrophobicContact CG1-CB 4.16Å; V366-L486 HydrophobicContact CG1-CD2 4.28Å; D367-L486 HydrophobicContact CB-CD1 3.96Å; D367-L486 HydrophobicContact CB-CD2 4.45Å; I370-L486 HydrophobicContact CD1-CD2 3.6Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 3.32Å; Y483-L486 PolarHBondContact O-N 3.46Å; L486-S488 VanDerWaalsContact C-N 3.35Å; L486-S488 PolarHBondContact O-N 3.38Å; L486-Q489 PolarHBondContact O-N 3.23Å; L486-R490 HydrophobicContact CD2-CG 4.35Å; L486-R490 WeakPolarHBondContact O-CG 3.33Å; L486-R490 PolarHBondContact O-N 3.05Å |
| 487 | L | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -46 | 173.2 | -179.4 | 63.6 | 0 | 0 | 0 | 110.8 | Y483 Q489 R490 L491 E502 C521 M524 L525 | Y483-L487 HydrophobicContact CE1-CD2 4.1Å; Y483-L487 VanDerWaalsContact O-CB 3.23Å; Y483-L487 WeakPolarHBondContact O-CB 3.48Å; Y483-L487 PolarHBondContact O-N 3.42Å; L487-Q489 VanDerWaalsContact C-N 3.3Å; L487-Q489 PolarHBondContact O-N 2.87Å; L487-R490 PolarHBondContact O-N 3.46Å; L487-L491 HydrophobicContact CD1-CD1 4.01Å; L487-L491 HydrophobicContact CD1-CD2 4.44Å; L487-L491 HydrophobicContact CD1-CG 4.01Å; L487-L491 HydrophobicContact CG-CD1 3.87Å; L487-L491 HydrophobicContact CG-CG 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.29Å; L487-L491 VanDerWaalsContact O-CG 3.27Å; L487-L491 WeakPolarHBondContact O-CG 3.45Å; L487-L491 PolarHBondContact O-N 3.38Å; L487-E502 HydrophobicContact CD1-CB 4.02Å; L487-E502 HydrophobicContact CD1-CG 4.07Å; L487-C521 HydrophobicContact CD2-CB 3.72Å; L487-M524 HydrophobicContact CG-CE 4.42Å; L487-L525 HydrophobicContact CD1-CD2 4.4Å |
| 488 | S | 87.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 177.7 | 76.6 | 0 | 0 | 0 | 0 | 112 | K484 Q485 L486 L492 M524 | K484-S488 WeakPolarHBondContact O-CB 3.34Å; K484-S488 PolarHBondContact O-N 3.3Å; Q485-S488 PolarHBondContact O-N 3.22Å; Q485-S488 PolarHBondContact O-OG 2.9Å; L486-S488 VanDerWaalsContact C-N 3.35Å; L486-S488 PolarHBondContact O-N 3.38Å; S488-L492 WeakPolarHBondContact O-CB 3.28Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å; S488-L492 PolarHBondContact O-N 3.37Å; S488-M524 VanDerWaalsContact CA-CE 3.49Å; S488-M524 VanDerWaalsContact CB-CE 3.43Å |
| 489 | Q | 83.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -40.2 | -179.6 | -71.8 | 171.9 | -15.4 | 0 | 0 | 111.7 | R363 Q485 L486 L487 R493 V808 | R363-Q489 VanDerWaalsContact NH1-OE1 3.12Å; Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.36Å; Q485-Q489 VanDerWaalsContact O-N 3.1Å; L486-Q489 PolarHBondContact O-N 3.23Å; L487-Q489 VanDerWaalsContact C-N 3.3Å; L487-Q489 PolarHBondContact O-N 2.87Å; Q489-R493 WeakPolarHBondContact O-CB 3.37Å; Q489-R493 VanDerWaalsContact O-CG 3.26Å; Q489-R493 WeakPolarHBondContact O-CG 3.4Å; Q489-R493 PolarHBondContact O-N 2.87Å; Q489-V808 HydrophobicContact CG-CG2 3.68Å |
| 490 | R | 85.1 | Confident | 82.9 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | 176.2 | -73.9 | 176.4 | 74.5 | 125.4 | 7.6 | 111.3 | D367 S371 L486 L487 L492 R493 Q494 E502 | D367-R490 IonicContact OD1-NH1 2.65Å; D367-R490 PolarHBondContact OD1-NH1 3Å; S371-R490 PolarHBondContact OG-NH1 3.16Å; L486-R490 HydrophobicContact CD2-CG 4.35Å; L486-R490 WeakPolarHBondContact O-CG 3.33Å; L486-R490 PolarHBondContact O-N 3.05Å; L487-R490 PolarHBondContact O-N 3.46Å; R490-L492 VanDerWaalsContact C-N 3.31Å; R490-L492 PolarHBondContact O-N 3.24Å; R490-R493 PolarHBondContact O-N 2.95Å; R490-Q494 WeakPolarHBondContact O-CG 3.41Å; R490-Q494 PolarHBondContact O-N 3Å; R490-Q494 VanDerWaalsContact O-N 3.08Å; R490-E502 IonicContact CZ-OE1 2.85Å; R490-E502 IonicContact NE-OE1 2.81Å; R490-E502 PolarHBondContact NE-OE1 3.28Å; R490-E502 VanDerWaalsContact NE-OE1 3.12Å; R490-E502 IonicContact NH2-OE1 2.75Å |
| 491 | L | 86.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.2 | -37.3 | 179.4 | -67.3 | 175.5 | 0 | 0 | 0 | 112.6 | L487 E502 M524 L525 I528 W629 | L487-L491 HydrophobicContact CD1-CD1 4.01Å; L487-L491 HydrophobicContact CD1-CD2 4.44Å; L487-L491 HydrophobicContact CD1-CG 4.01Å; L487-L491 HydrophobicContact CG-CD1 3.87Å; L487-L491 HydrophobicContact CG-CG 4.28Å; L487-L491 WeakPolarHBondContact O-CB 3.29Å; L487-L491 VanDerWaalsContact O-CG 3.27Å; L487-L491 WeakPolarHBondContact O-CG 3.45Å; L487-L491 PolarHBondContact O-N 3.38Å; L491-E502 HydrophobicContact CD2-CG 4.35Å; L491-M524 HydrophobicContact CD1-CB 4.39Å; L491-M524 HydrophobicContact CD1-CE 4.46Å; L491-L525 HydrophobicContact CD1-CD2 3.89Å; L491-L525 HydrophobicContact CD2-CD2 3.76Å; L491-L525 HydrophobicContact CG-CD2 4.41Å; L491-I528 HydrophobicContact CB-CG1 4.37Å; L491-I528 HydrophobicContact CD1-CG1 4.25Å; L491-I528 HydrophobicContact CD2-CG1 4.46Å; L491-W629 HydrophobicContact CB-CH2 3.92Å; L491-W629 HydrophobicContact CB-CZ3 4.47Å; L491-W629 HydrophobicContact CD1-CH2 3.95Å; L491-W629 HydrophobicContact CD1-CZ2 4.46Å |
| 492 | L | 81.9 | Confident | 82.8 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.8 | -28.5 | 177.3 | -69.9 | 171.6 | 0 | 0 | 0 | 113.3 | S488 R490 V593 L624 W629 L632 | S488-L492 WeakPolarHBondContact O-CB 3.28Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å; S488-L492 PolarHBondContact O-N 3.37Å; R490-L492 VanDerWaalsContact C-N 3.31Å; R490-L492 PolarHBondContact O-N 3.24Å; L492-V593 HydrophobicContact CD2-CG2 4.12Å; L492-L624 HydrophobicContact CD2-CD1 3.76Å; L492-W629 HydrophobicContact CD1-CE3 4.45Å; L492-W629 HydrophobicContact CD1-CZ3 4.11Å; L492-W629 HydrophobicContact CD2-CZ3 4.09Å; L492-W629 HydrophobicContact CG-CH2 4.5Å; L492-W629 HydrophobicContact CG-CZ3 3.8Å; L492-L632 HydrophobicContact CD1-CD1 4.5Å; L492-L632 HydrophobicContact CD1-CD2 3.66Å |
| 493 | R | 76.9 | Confident | 83 | Confident | 98 Ų | 98 | 37.8 Ų | 37.8 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -77.3 | -28.6 | 176.8 | -78.2 | -179.4 | -176.1 | -161.7 | 5.1 | 112.8 | Q489 R490 R495 S804 | Q489-R493 WeakPolarHBondContact O-CB 3.37Å; Q489-R493 VanDerWaalsContact O-CG 3.26Å; Q489-R493 WeakPolarHBondContact O-CG 3.4Å; Q489-R493 PolarHBondContact O-N 2.87Å; R490-R493 PolarHBondContact O-N 2.95Å; R493-R495 PolarHBondContact O-N 2.97Å; R493-S804 PolarHBondContact NH2-OG 3.39Å |
| 494 | Q | 74.3 | Confident | 82.8 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.229 | 20% | 0.201 | C | C | . | . | trans | -66.9 | 130.3 | -178.7 | -76.9 | 175.8 | -34.3 | 0 | 0 | 111.2 | R490 S496 Y622 | R490-Q494 WeakPolarHBondContact O-CG 3.41Å; R490-Q494 PolarHBondContact O-N 3Å; R490-Q494 VanDerWaalsContact O-N 3.08Å; Q494-S496 VanDerWaalsContact C-N 3.28Å; Q494-Y622 PolarHBondContact O-OH 3.23Å | ||
| 495 | R | 68.1 | Low | 82.7 | Confident | 154 Ų | 154 | 42.3 Ų | 42.3 | 58% | 0.581 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -80.4 | -12.9 | 175.7 | -60.3 | -177.8 | -171.9 | -162.8 | -1.3 | 112.8 | R493 D686 | R493-R495 PolarHBondContact O-N 2.97Å; R495-D686 IonicContact CZ-OD2 2.79Å; R495-D686 IonicContact NH1-OD1 2.75Å; R495-D686 IonicContact NH1-OD2 3.36Å; R495-D686 PolarHBondContact NH1-OD2 2.83Å; R495-D686 VanDerWaalsContact NH2-CG 3.35Å; R495-D686 IonicContact NH2-OD2 3.12Å; R495-D686 PolarHBondContact NH2-OD2 3.36Å |
| 496 | S | 74.5 | Confident | 82.8 | Confident | 66 Ų | 66 | 41.8 Ų | 41.8 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -111.1 | 143.9 | -177.7 | 60.6 | 0 | 0 | 0 | 0 | 109.8 | Q494 H498 | Q494-S496 VanDerWaalsContact C-N 3.28Å; S496-H498 PolarHBondContact O-N 3.29Å |
| 497 | F | 77.2 | Confident | 82.7 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 15% | 0.154 | 22% | 0.216 | C | C | . | . | trans | -74.9 | 27.3 | 172.4 | -62 | -85.5 | 0 | 0 | 0 | 112.7 | I528 K532 A535 Y622 | F497-I528 HydrophobicContact CD1-CG2 4.24Å; F497-K532 HydrophobicContact CB-CB 3.7Å; F497-K532 HydrophobicContact CB-CD 3.65Å; F497-K532 HydrophobicContact CB-CG 3.66Å; F497-K532 HydrophobicContact CD1-CB 3.71Å; F497-K532 HydrophobicContact CD1-CG 4.29Å; F497-K532 HydrophobicContact CD2-CB 4.16Å; F497-K532 HydrophobicContact CD2-CG 3.83Å; F497-K532 HydrophobicContact CE1-CB 4.34Å; F497-K532 HydrophobicContact CG-CB 3.61Å; F497-K532 HydrophobicContact CG-CD 4.25Å; F497-K532 HydrophobicContact CG-CG 3.69Å; F497-A535 HydrophobicContact CZ-CB 4.09Å; F497-Y622 AromaticContact CD1-CD1 3.94Å; F497-Y622 HydrophobicContact CD1-CD1 3.94Å; F497-Y622 AromaticContact CD1-CE1 3.46Å; F497-Y622 HydrophobicContact CD1-CE1 3.46Å; F497-Y622 VanDerWaalsContact CD1-CE1 3.46Å; F497-Y622 AromaticContact CE1-CD1 3.47Å; F497-Y622 HydrophobicContact CE1-CD1 3.47Å; F497-Y622 VanDerWaalsContact CE1-CD1 3.47Å; F497-Y622 AromaticContact CE1-CE1 3.28Å; F497-Y622 HydrophobicContact CE1-CE1 3.28Å; F497-Y622 HydrophobicContact CE1-CG 4.4Å; F497-Y622 HydrophobicContact CG-CE1 4.3Å; F497-Y622 HydrophobicContact CZ-CD1 4.32Å; F497-Y622 AromaticContact CZ-CE1 3.99Å; F497-Y622 HydrophobicContact CZ-CE1 3.99Å | ||
| 498 | H | 80.6 | Confident | 82.5 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | trans | -84.3 | 117.5 | -175.9 | -170.6 | 78.9 | 0 | 0 | 0 | 110.1 | S496 A500 | S496-H498 PolarHBondContact O-N 3.29Å; H498-A500 WeakPolarHBondContact NE2-CB 3.31Å | ||
| 499 | T | 85.1 | Confident | 82.4 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | trans | -119.8 | 1.1 | -173.1 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | R501 E502 L503 L525 I528 | T499-R501 PolarHBondContact O-N 2.84Å; T499-E502 PolarHBondContact O-N 3.5Å; T499-L503 WeakPolarHBondContact O-CB 3.49Å; T499-L503 PolarHBondContact O-N 2.88Å; T499-L525 HydrophobicContact CG2-CD2 4.23Å; T499-I528 HydrophobicContact CG2-CB 3.98Å; T499-I528 HydrophobicContact CG2-CG2 3.63Å | ||
| 500 | A | 85.4 | Confident | 82.6 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -44.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H498 L503 R504 | H498-A500 WeakPolarHBondContact NE2-CB 3.31Å; A500-L503 WeakPolarHBondContact O-CB 3.46Å; A500-L503 PolarHBondContact O-N 3.32Å; A500-R504 PolarHBondContact O-N 3.21Å |
| 501 | R | 83.1 | Confident | 82.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | 175.8 | 176.3 | -171.6 | 158.6 | 151.9 | 18.1 | 112.4 | I370 S371 G372 E374 T499 L503 R504 N505 | I370-R501 PolarHBondContact O-NH2 3.24Å; S371-R501 VanDerWaalsContact CA-NH2 3.28Å; G372-R501 PolarHBondContact O-NH2 3.03Å; E374-R501 VanDerWaalsContact CD-NH1 3.29Å; E374-R501 IonicContact OE1-CZ 3.78Å; E374-R501 IonicContact OE1-NH1 2.63Å; E374-R501 PolarHBondContact OE1-NH1 3.47Å; T499-R501 PolarHBondContact O-N 2.84Å; R501-L503 VanDerWaalsContact C-N 3.29Å; R501-L503 PolarHBondContact O-N 3.42Å; R501-R504 PolarHBondContact O-N 3.09Å; R501-N505 PolarHBondContact O-N 2.92Å; R501-N505 VanDerWaalsContact O-N 3.1Å |
| 502 | E | 86.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -31.3 | -177.8 | -59.7 | -60.2 | 164.2 | 0 | 0 | 111.8 | I370 L487 R490 L491 T499 L506 L525 | I370-E502 WeakPolarHBondContact CG2-OE2 3.29Å; L487-E502 HydrophobicContact CD1-CB 4.02Å; L487-E502 HydrophobicContact CD1-CG 4.07Å; R490-E502 IonicContact CZ-OE1 2.85Å; R490-E502 IonicContact NE-OE1 2.81Å; R490-E502 PolarHBondContact NE-OE1 3.28Å; R490-E502 VanDerWaalsContact NE-OE1 3.12Å; R490-E502 IonicContact NH2-OE1 2.75Å; L491-E502 HydrophobicContact CD2-CG 4.35Å; T499-E502 PolarHBondContact O-N 3.5Å; E502-L506 WeakPolarHBondContact O-CB 3.3Å; E502-L506 PolarHBondContact O-N 3.29Å; E502-L525 HydrophobicContact CB-CD1 4.42Å; E502-L525 HydrophobicContact CB-CD2 3.73Å |
| 503 | L | 88.2 | Confident | 82.2 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 172.8 | -176.6 | 67.8 | 0 | 0 | 0 | 111.7 | T499 A500 R501 N505 L506 E507 L525 | T499-L503 WeakPolarHBondContact O-CB 3.49Å; T499-L503 PolarHBondContact O-N 2.88Å; A500-L503 WeakPolarHBondContact O-CB 3.46Å; A500-L503 PolarHBondContact O-N 3.32Å; R501-L503 VanDerWaalsContact C-N 3.29Å; R501-L503 PolarHBondContact O-N 3.42Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 3.12Å; L503-L506 WeakPolarHBondContact O-CB 3.26Å; L503-L506 PolarHBondContact O-N 3.19Å; L503-L506 VanDerWaalsContact O-N 3.13Å; L503-E507 WeakPolarHBondContact O-CG 3.37Å; L503-E507 PolarHBondContact O-N 2.77Å; L503-L525 HydrophobicContact CB-CD1 4.33Å; L503-L525 HydrophobicContact CD1-CD1 4.27Å |
| 504 | R | 84.8 | Confident | 82.4 | Confident | 117 Ų | 117 | 48.2 Ų | 48.2 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 177.5 | -173.2 | 178.6 | -180 | -170.2 | -1.8 | 111.7 | Y387 A500 R501 L506 E507 L508 | Y387-R504 PolarHBondContact OH-NH1 3.02Å; A500-R504 PolarHBondContact O-N 3.21Å; R501-R504 PolarHBondContact O-N 3.09Å; R504-L506 VanDerWaalsContact C-N 3.3Å; R504-L506 PolarHBondContact O-N 3.13Å; R504-E507 PolarHBondContact O-N 3.38Å; R504-L508 WeakPolarHBondContact O-CG 3.49Å; R504-L508 PolarHBondContact O-N 3.5Å; R504-L508 VanDerWaalsContact O-N 3.15Å |
| 505 | N | 85.6 | Confident | 82.8 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 174.9 | -72.5 | -18.1 | 0 | 0 | 0 | 111.9 | I370 H395 R501 L503 L508 L509 | I370-N505 WeakPolarHBondContact CG2-ND2 3.45Å; I370-N505 PolarHBondContact O-ND2 3.49Å; H395-N505 PolarHBondContact CE1-OD1 3.19Å; R501-N505 PolarHBondContact O-N 2.92Å; R501-N505 VanDerWaalsContact O-N 3.1Å; L503-N505 VanDerWaalsContact C-N 3.33Å; L503-N505 PolarHBondContact O-N 3.12Å; N505-L508 PolarHBondContact O-N 3.46Å; N505-L509 WeakPolarHBondContact O-CG 3.46Å; N505-L509 PolarHBondContact O-N 2.74Å |
| 506 | L | 88 | Confident | 83.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 178.4 | -171.6 | 143 | 0 | 0 | 0 | 112 | E502 L503 R504 L509 K510 C521 E522 L525 | E502-L506 WeakPolarHBondContact O-CB 3.3Å; E502-L506 PolarHBondContact O-N 3.29Å; L503-L506 WeakPolarHBondContact O-CB 3.26Å; L503-L506 PolarHBondContact O-N 3.19Å; L503-L506 VanDerWaalsContact O-N 3.13Å; R504-L506 VanDerWaalsContact C-N 3.3Å; R504-L506 PolarHBondContact O-N 3.13Å; L506-L509 PolarHBondContact O-N 2.75Å; L506-K510 HydrophobicContact CD2-CD 3.91Å; L506-K510 VanDerWaalsContact CD2-CE 3.43Å; L506-K510 HydrophobicContact CD2-CG 3.99Å; L506-K510 WeakPolarHBondContact O-CG 3.41Å; L506-K510 PolarHBondContact O-N 3.4Å; L506-C521 HydrophobicContact CD1-CB 3.5Å; L506-E522 HydrophobicContact CD1-CB 4.49Å; L506-E522 HydrophobicContact CD2-CB 4.29Å; L506-L525 HydrophobicContact CB-CD1 4.28Å; L506-L525 HydrophobicContact CD1-CD1 3.93Å |
| 507 | E | 85.8 | Confident | 84 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 174.8 | -73 | 169.7 | 179.6 | 0 | 0 | 111.9 | L503 R504 L509 K510 L511 | L503-E507 WeakPolarHBondContact O-CG 3.37Å; L503-E507 PolarHBondContact O-N 2.77Å; R504-E507 PolarHBondContact O-N 3.38Å; E507-L509 VanDerWaalsContact C-N 3.34Å; E507-L509 PolarHBondContact O-N 2.94Å; E507-K510 WeakPolarHBondContact O-CB 3.42Å; E507-K510 PolarHBondContact O-N 2.87Å; E507-L511 PolarHBondContact O-N 3.44Å |
| 508 | L | 83.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.2 | -67.3 | 175.3 | 0 | 0 | 0 | 111.9 | L398 L399 R504 N505 K510 L511 | L398-L508 HydrophobicContact CB-CB 4.17Å; L398-L508 HydrophobicContact CB-CD1 4.46Å; L399-L508 HydrophobicContact CD2-CD1 4.39Å; L399-L508 HydrophobicContact CD2-CD2 3.96Å; R504-L508 WeakPolarHBondContact O-CG 3.49Å; R504-L508 PolarHBondContact O-N 3.5Å; R504-L508 VanDerWaalsContact O-N 3.15Å; N505-L508 PolarHBondContact O-N 3.46Å; L508-K510 VanDerWaalsContact C-N 3.33Å; L508-K510 PolarHBondContact O-N 2.82Å; L508-L511 WeakPolarHBondContact O-CB 3.39Å; L508-L511 PolarHBondContact O-N 3.06Å |
| 509 | L | 85.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 175.6 | -77.6 | 162.6 | 0 | 0 | 0 | 112.3 | L398 F479 Y483 N505 L506 E507 L511 R512 F513 L518 | L398-L509 HydrophobicContact CD2-CD2 3.91Å; L398-L509 HydrophobicContact CD2-CG 4.35Å; F479-L509 HydrophobicContact CE1-CD2 3.99Å; F479-L509 HydrophobicContact CZ-CD2 4.31Å; Y483-L509 HydrophobicContact CD2-CD1 3.86Å; Y483-L509 HydrophobicContact CE1-CD1 4.15Å; Y483-L509 HydrophobicContact CE2-CD1 3.32Å; N505-L509 WeakPolarHBondContact O-CG 3.46Å; N505-L509 PolarHBondContact O-N 2.74Å; L506-L509 PolarHBondContact O-N 2.75Å; E507-L509 VanDerWaalsContact C-N 3.34Å; E507-L509 PolarHBondContact O-N 2.94Å; L509-L511 VanDerWaalsContact C-N 3.28Å; L509-L511 PolarHBondContact O-N 3.08Å; L509-R512 PolarHBondContact O-N 3.04Å; L509-F513 HydrophobicContact CD2-CD2 3.7Å; L509-F513 HydrophobicContact CD2-CE2 3.54Å; L509-F513 PolarHBondContact O-N 2.94Å; L509-L518 HydrophobicContact CB-CD1 3.71Å; L509-L518 HydrophobicContact CB-CD2 4.49Å; L509-L518 WeakPolarHBondContact O-CD1 3.28Å |
| 510 | K | 86.5 | Confident | 85 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 15% | 0.148 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 175.4 | -79.9 | -175.5 | 171.9 | -164 | 0 | 111.5 | L506 E507 L508 R512 G514 E515 L518 E522 | L506-K510 HydrophobicContact CD2-CD 3.91Å; L506-K510 VanDerWaalsContact CD2-CE 3.43Å; L506-K510 HydrophobicContact CD2-CG 3.99Å; L506-K510 WeakPolarHBondContact O-CG 3.41Å; L506-K510 PolarHBondContact O-N 3.4Å; E507-K510 WeakPolarHBondContact O-CB 3.42Å; E507-K510 PolarHBondContact O-N 2.87Å; L508-K510 VanDerWaalsContact C-N 3.33Å; L508-K510 PolarHBondContact O-N 2.82Å; K510-R512 VanDerWaalsContact C-N 3.29Å; K510-R512 PolarHBondContact O-N 2.83Å; K510-G514 VanDerWaalsContact O-CA 3.28Å; K510-G514 WeakPolarHBondContact O-CA 3.26Å; K510-G514 PolarHBondContact O-N 3.39Å; K510-E515 HydrophobicContact CD-CG 4.22Å; K510-E515 IonicContact NZ-OE1 2.81Å; K510-E515 PolarHBondContact NZ-OE1 3.39Å; K510-L518 HydrophobicContact CB-CD1 4.41Å; K510-L518 HydrophobicContact CG-CB 4.31Å; K510-L518 HydrophobicContact CG-CD1 4.01Å; K510-E522 WeakPolarHBondContact CE-OE2 3.36Å; K510-E522 IonicContact NZ-OE1 3.14Å; K510-E522 PolarHBondContact NZ-OE1 3.34Å; K510-E522 IonicContact NZ-OE2 2.96Å; K510-E522 PolarHBondContact NZ-OE2 3.4Å |
| 511 | L | 83.1 | Confident | 85.3 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 58% | 0.581 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 176.9 | -63.8 | 176.1 | 0 | 0 | 0 | 112.5 | E507 L508 L509 | E507-L511 PolarHBondContact O-N 3.44Å; L508-L511 WeakPolarHBondContact O-CB 3.39Å; L508-L511 PolarHBondContact O-N 3.06Å; L509-L511 VanDerWaalsContact C-N 3.28Å; L509-L511 PolarHBondContact O-N 3.08Å |
| 512 | R | 79.4 | Confident | 85.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -87.8 | -52.2 | -176.7 | -64.4 | -58.7 | -149.6 | 144.9 | 16.2 | 113 | E397 L398 L400 K402 L404 D464 L466 L509 K510 | E397-R512 PolarHBondContact O-NE 2.96Å; E397-R512 PolarHBondContact O-NH2 2.99Å; L398-R512 HydrophobicContact CD2-CG 4.31Å; L400-R512 VanDerWaalsContact CB-NH2 3.28Å; L400-R512 VanDerWaalsContact O-CZ 3.31Å; L400-R512 PolarHBondContact O-NE 3.24Å; K402-R512 WeakPolarHBondContact O-CD 3.47Å; K402-R512 PolarHBondContact O-NH1 2.93Å; L404-R512 HydrophobicContact CB-CB 4.4Å; L404-R512 WeakPolarHBondContact CB-O 3.48Å; L404-R512 HydrophobicContact CD1-CB 4.43Å; L404-R512 PolarHBondContact N-O 3.36Å; D464-R512 IonicContact OD2-CZ 3.13Å; D464-R512 IonicContact OD2-NH1 3.53Å; D464-R512 PolarHBondContact OD2-NH1 3.39Å; D464-R512 IonicContact OD2-NH2 2.7Å; D464-R512 PolarHBondContact OD2-NH2 3.22Å; L466-R512 HydrophobicContact CD2-CG 4.26Å; L509-R512 PolarHBondContact O-N 3.04Å; K510-R512 VanDerWaalsContact C-N 3.29Å; K510-R512 PolarHBondContact O-N 2.83Å |
| 513 | F | 82.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -89.4 | -13.1 | -171.7 | -71 | -93.1 | 0 | 0 | 0 | 113.7 | L404 L466 V470 K476 F479 L480 L509 N517 L518 | L404-F513 HydrophobicContact CD2-CD1 4.1Å; L404-F513 HydrophobicContact CD2-CE1 3.63Å; L404-F513 HydrophobicContact CD2-CZ 3.89Å; L466-F513 HydrophobicContact CD2-CE2 4.4Å; V470-F513 HydrophobicContact CG1-CE1 4.46Å; V470-F513 HydrophobicContact CG2-CE1 4.15Å; V470-F513 HydrophobicContact CG2-CZ 3.89Å; K476-F513 HydrophobicContact CB-CD1 4.25Å; K476-F513 HydrophobicContact CB-CE1 4.44Å; K476-F513 HydrophobicContact CD-CD1 4.45Å; K476-F513 HydrophobicContact CG-CD1 4.38Å; F479-F513 HydrophobicContact CB-CE1 4.43Å; F479-F513 HydrophobicContact CD1-CD1 4.42Å; F479-F513 AromaticContact CD1-CE1 3.58Å; F479-F513 HydrophobicContact CD1-CE1 3.58Å; F479-F513 HydrophobicContact CD1-CE2 4.03Å; F479-F513 AromaticContact CD1-CZ 3.34Å; F479-F513 HydrophobicContact CD1-CZ 3.34Å; F479-F513 HydrophobicContact CE1-CE1 4.11Å; F479-F513 AromaticContact CE1-CE2 3.69Å; F479-F513 HydrophobicContact CE1-CE2 3.69Å; F479-F513 AromaticContact CE1-CZ 3.43Å; F479-F513 HydrophobicContact CE1-CZ 3.43Å; F479-F513 VanDerWaalsContact CE1-CZ 3.43Å; F479-F513 HydrophobicContact CG-CE1 4.12Å; F479-F513 AromaticContact CG-CZ 3.95Å; F479-F513 HydrophobicContact CG-CZ 3.95Å; F479-F513 HydrophobicContact CZ-CE2 4.33Å; F479-F513 HydrophobicContact CZ-CZ 4.09Å; L480-F513 HydrophobicContact CD2-CB 4.4Å; L480-F513 HydrophobicContact CD2-CD1 4.25Å; L480-F513 HydrophobicContact CD2-CG 4.38Å; L480-F513 HydrophobicContact CG-CD1 4.46Å; L509-F513 HydrophobicContact CD2-CD2 3.7Å; L509-F513 HydrophobicContact CD2-CE2 3.54Å; L509-F513 PolarHBondContact O-N 2.94Å; F513-N517 PolarHBondContact O-ND2 2.8Å; F513-L518 HydrophobicContact CB-CD1 4.14Å |
| 514 | G | 81.8 | Confident | 86 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | trans | 85.3 | 147.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K510 Q516 N517 | K510-G514 VanDerWaalsContact O-CA 3.28Å; K510-G514 WeakPolarHBondContact O-CA 3.26Å; K510-G514 PolarHBondContact O-N 3.39Å; G514-Q516 PolarHBondContact O-N 3.49Å; G514-N517 PolarHBondContact O-N 3.33Å | ||
| 515 | E | 82.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 47.2 Ų | 47.2 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.9 | -39.5 | -170.6 | -176.3 | 160.4 | -140.7 | 0 | 0 | 113.9 | K510 N517 L518 H519 | K510-E515 HydrophobicContact CD-CG 4.22Å; K510-E515 IonicContact NZ-OE1 2.81Å; K510-E515 PolarHBondContact NZ-OE1 3.39Å; E515-N517 PolarHBondContact O-N 3.49Å; E515-L518 PolarHBondContact O-N 2.69Å; E515-L518 VanDerWaalsContact O-N 3.14Å; E515-H519 PolarHBondContact O-N 2.9Å |
| 516 | Q | 84.5 | Confident | 86.6 | Confident | 182 Ų | 182 | 52.7 Ų | 52.7 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.8 | -33.3 | -178.4 | -66.8 | -177.8 | 0.5 | 0 | 0 | 112.9 | G514 L518 | G514-Q516 PolarHBondContact O-N 3.49Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; Q516-L518 PolarHBondContact O-N 3.05Å |
| 517 | N | 82.5 | Confident | 86.8 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -75.4 | -20.3 | -177.1 | -74.9 | -32.7 | 0 | 0 | 0 | 113.3 | L480 F513 G514 E515 | L480-N517 HydrophobicContact CD1-CB 3.67Å; L480-N517 HydrophobicContact CD2-CB 4.36Å; F513-N517 PolarHBondContact O-ND2 2.8Å; G514-N517 PolarHBondContact O-N 3.33Å; E515-N517 PolarHBondContact O-N 3.49Å |
| 518 | L | 88 | Confident | 87 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -110.6 | 3.8 | -175.3 | -73.7 | 157.8 | 0 | 0 | 0 | 112.9 | L480 Y483 L509 K510 F513 E515 Q516 E520 C521 E522 | L480-L518 HydrophobicContact CD2-CD2 3.78Å; L480-L518 HydrophobicContact CD2-CG 4.05Å; Y483-L518 HydrophobicContact CD1-CD2 3.84Å; Y483-L518 HydrophobicContact CE1-CD2 3.72Å; L509-L518 HydrophobicContact CB-CD1 3.71Å; L509-L518 HydrophobicContact CB-CD2 4.49Å; L509-L518 WeakPolarHBondContact O-CD1 3.28Å; K510-L518 HydrophobicContact CB-CD1 4.41Å; K510-L518 HydrophobicContact CG-CB 4.31Å; K510-L518 HydrophobicContact CG-CD1 4.01Å; F513-L518 HydrophobicContact CB-CD1 4.14Å; E515-L518 PolarHBondContact O-N 2.69Å; E515-L518 VanDerWaalsContact O-N 3.14Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; Q516-L518 PolarHBondContact O-N 3.05Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 2.99Å; L518-C521 PolarHBondContact O-N 3.48Å; L518-E522 PolarHBondContact O-N 2.91Å |
| 519 | H | 88.5 | Confident | 87.2 | Confident | 96 Ų | 96 | 53.9 Ų | 53.9 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.9 | -41 | -179.2 | -176.3 | 61.5 | 0 | 0 | 0 | 112.5 | E515 C521 E522 V523 | E515-H519 PolarHBondContact O-N 2.9Å; H519-C521 VanDerWaalsContact C-N 3.32Å; H519-C521 PolarHBondContact O-N 3.43Å; H519-E522 PolarHBondContact O-N 3.06Å; H519-V523 WeakPolarHBondContact O-CG2 3.49Å; H519-V523 PolarHBondContact O-N 3.32Å |
| 520 | E | 88.6 | Confident | 87.4 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -40 | 178.6 | -58.3 | -173.8 | 174.8 | 0 | 0 | 112.3 | K484 L518 V523 M524 Y628 | K484-E520 WeakPolarHBondContact CE-OE2 3.35Å; K484-E520 IonicContact NZ-OE2 3.1Å; K484-E520 PolarHBondContact NZ-OE2 3.23Å; L518-E520 VanDerWaalsContact C-N 3.26Å; L518-E520 PolarHBondContact O-N 2.99Å; E520-V523 PolarHBondContact O-N 3.27Å; E520-M524 WeakPolarHBondContact O-CG 3.44Å; E520-M524 PolarHBondContact O-N 2.86Å; E520-Y628 HydrophobicContact CB-CD1 4.29Å; E520-Y628 HydrophobicContact CG-CD1 4.16Å |
| 521 | C | 91.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71 | -34.4 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | Y483 L487 L506 L518 H519 M524 L525 | Y483-C521 HydrophobicContact CD1-CB 4.45Å; Y483-C521 VanDerWaalsContact CD1-SG 3.59Å; Y483-C521 HydrophobicContact CE1-CB 3.85Å; Y483-C521 VanDerWaalsContact CE1-SG 3.59Å; L487-C521 HydrophobicContact CD2-CB 3.72Å; L506-C521 HydrophobicContact CD1-CB 3.5Å; L518-C521 PolarHBondContact O-N 3.48Å; H519-C521 VanDerWaalsContact C-N 3.32Å; H519-C521 PolarHBondContact O-N 3.43Å; C521-M524 WeakPolarHBondContact O-CB 3.41Å; C521-M524 PolarHBondContact O-N 2.71Å; C521-L525 PolarHBondContact O-N 3Å; C521-L525 VanDerWaalsContact O-N 3.1Å |
| 522 | E | 91.3 | Very high | 87.9 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 173.3 | 177.6 | 172.5 | -151.1 | 0 | 0 | 111.7 | L506 K510 L518 H519 M524 L525 K526 | L506-E522 HydrophobicContact CD1-CB 4.49Å; L506-E522 HydrophobicContact CD2-CB 4.29Å; K510-E522 WeakPolarHBondContact CE-OE2 3.36Å; K510-E522 IonicContact NZ-OE1 3.14Å; K510-E522 PolarHBondContact NZ-OE1 3.34Å; K510-E522 IonicContact NZ-OE2 2.96Å; K510-E522 PolarHBondContact NZ-OE2 3.4Å; L518-E522 PolarHBondContact O-N 2.91Å; H519-E522 PolarHBondContact O-N 3.06Å; E522-M524 VanDerWaalsContact C-N 3.31Å; E522-M524 PolarHBondContact O-N 3.38Å; E522-L525 PolarHBondContact O-N 3.17Å; E522-K526 WeakPolarHBondContact O-CB 3.29Å; E522-K526 PolarHBondContact O-N 3.32Å |
| 523 | V | 91.7 | Very high | 88.3 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | H519 E520 L525 K526 D527 Y628 | H519-V523 WeakPolarHBondContact O-CG2 3.49Å; H519-V523 PolarHBondContact O-N 3.32Å; E520-V523 PolarHBondContact O-N 3.27Å; V523-L525 PolarHBondContact O-N 3.04Å; V523-K526 WeakPolarHBondContact O-CB 3.41Å; V523-K526 PolarHBondContact O-N 3.33Å; V523-D527 VanDerWaalsContact O-CG 3.31Å; V523-D527 PolarHBondContact O-N 3.03Å; V523-Y628 HydrophobicContact CB-CD1 4.11Å; V523-Y628 HydrophobicContact CB-CD2 4.38Å; V523-Y628 HydrophobicContact CB-CG 3.99Å; V523-Y628 HydrophobicContact CG1-CD1 4.18Å; V523-Y628 HydrophobicContact CG1-CD2 3.56Å; V523-Y628 HydrophobicContact CG1-CE2 4.02Å; V523-Y628 HydrophobicContact CG1-CG 3.62Å; V523-Y628 HydrophobicContact CG2-CD1 4.23Å; V523-Y628 HydrophobicContact CG2-CE1 4.22Å |
| 524 | M | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.4 | -68.6 | 167.2 | 58.4 | 0 | 0 | 112.6 | K484 L487 S488 L491 E520 C521 E522 D527 I528 W629 | K484-M524 HydrophobicContact CG-SD 3.91Å; L487-M524 HydrophobicContact CG-CE 4.42Å; S488-M524 VanDerWaalsContact CA-CE 3.49Å; S488-M524 VanDerWaalsContact CB-CE 3.43Å; L491-M524 HydrophobicContact CD1-CB 4.39Å; L491-M524 HydrophobicContact CD1-CE 4.46Å; E520-M524 WeakPolarHBondContact O-CG 3.44Å; E520-M524 PolarHBondContact O-N 2.86Å; C521-M524 WeakPolarHBondContact O-CB 3.41Å; C521-M524 PolarHBondContact O-N 2.71Å; E522-M524 VanDerWaalsContact C-N 3.31Å; E522-M524 PolarHBondContact O-N 3.38Å; M524-D527 WeakPolarHBondContact O-CB 3.47Å; M524-D527 PolarHBondContact O-N 3.23Å; M524-I528 PolarHBondContact O-N 2.83Å; M524-W629 HydrophobicContact CB-CZ2 3.94Å; M524-W629 HydrophobicContact CE-CD2 4.16Å; M524-W629 HydrophobicContact CE-CE3 3.93Å; M524-W629 HydrophobicContact CE-CH2 4.23Å; M524-W629 HydrophobicContact CE-CZ2 4.45Å; M524-W629 HydrophobicContact CE-CZ3 3.96Å; M524-W629 HydrophobicContact CG-CD2 4.1Å; M524-W629 HydrophobicContact CG-CG 4.23Å; M524-W629 HydrophobicContact CG-CZ2 4.24Å |
| 525 | L | 91.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.6 | -70.4 | 177.5 | 0 | 0 | 0 | 112.3 | L487 L491 T499 E502 L503 L506 C521 E522 V523 D527 I528 R529 | L487-L525 HydrophobicContact CD1-CD2 4.4Å; L491-L525 HydrophobicContact CD1-CD2 3.89Å; L491-L525 HydrophobicContact CD2-CD2 3.76Å; L491-L525 HydrophobicContact CG-CD2 4.41Å; T499-L525 HydrophobicContact CG2-CD2 4.23Å; E502-L525 HydrophobicContact CB-CD1 4.42Å; E502-L525 HydrophobicContact CB-CD2 3.73Å; L503-L525 HydrophobicContact CB-CD1 4.33Å; L503-L525 HydrophobicContact CD1-CD1 4.27Å; L506-L525 HydrophobicContact CB-CD1 4.28Å; L506-L525 HydrophobicContact CD1-CD1 3.93Å; C521-L525 PolarHBondContact O-N 3Å; C521-L525 VanDerWaalsContact O-N 3.1Å; E522-L525 PolarHBondContact O-N 3.17Å; V523-L525 PolarHBondContact O-N 3.04Å; L525-D527 VanDerWaalsContact C-N 3.35Å; L525-I528 PolarHBondContact O-N 3.44Å; L525-R529 PolarHBondContact O-N 3.14Å |
| 526 | K | 91.2 | Very high | 88.9 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 54% | 0.535 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.5 | -175.4 | -178.9 | 176.9 | -178.8 | 0 | 111.3 | E522 V523 I528 R529 D530 | E522-K526 WeakPolarHBondContact O-CB 3.29Å; E522-K526 PolarHBondContact O-N 3.32Å; V523-K526 WeakPolarHBondContact O-CB 3.41Å; V523-K526 PolarHBondContact O-N 3.33Å; K526-I528 VanDerWaalsContact C-N 3.34Å; K526-I528 PolarHBondContact O-N 3.39Å; K526-R529 PolarHBondContact O-N 3.22Å; K526-R529 VanDerWaalsContact O-N 3.15Å; K526-D530 WeakPolarHBondContact O-CB 3.49Å; K526-D530 PolarHBondContact O-N 2.93Å |
| 527 | D | 91.2 | Very high | 89 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 177.5 | -74.7 | -12 | 0 | 0 | 0 | 111.4 | V523 M524 L525 R529 D530 S531 L624 S625 W629 | V523-D527 VanDerWaalsContact O-CG 3.31Å; V523-D527 PolarHBondContact O-N 3.03Å; M524-D527 WeakPolarHBondContact O-CB 3.47Å; M524-D527 PolarHBondContact O-N 3.23Å; L525-D527 VanDerWaalsContact C-N 3.35Å; D527-R529 VanDerWaalsContact C-N 3.34Å; D527-R529 PolarHBondContact O-N 3.5Å; D527-D530 PolarHBondContact O-N 2.84Å; D527-S531 WeakPolarHBondContact O-CB 3.2Å; D527-S531 PolarHBondContact O-N 3.28Å; D527-L624 HydrophobicContact CB-CD2 4.45Å; D527-S625 WeakPolarHBondContact OD2-CB 3.26Å; D527-S625 PolarHBondContact OD2-N 2.94Å; D527-S625 PolarHBondContact OD2-OG 3.42Å; D527-W629 PolarHBondContact OD2-NE1 3.19Å |
| 528 | I | 89.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 177.6 | -62.6 | -63.6 | 0 | 0 | 0 | 111.3 | L491 F497 T499 M524 L525 K526 S531 K532 Y622 L624 W629 | L491-I528 HydrophobicContact CB-CG1 4.37Å; L491-I528 HydrophobicContact CD1-CG1 4.25Å; L491-I528 HydrophobicContact CD2-CG1 4.46Å; F497-I528 HydrophobicContact CD1-CG2 4.24Å; T499-I528 HydrophobicContact CG2-CB 3.98Å; T499-I528 HydrophobicContact CG2-CG2 3.63Å; M524-I528 PolarHBondContact O-N 2.83Å; L525-I528 PolarHBondContact O-N 3.44Å; K526-I528 VanDerWaalsContact C-N 3.34Å; K526-I528 PolarHBondContact O-N 3.39Å; I528-S531 WeakPolarHBondContact O-CB 3.42Å; I528-S531 PolarHBondContact O-N 2.97Å; I528-K532 PolarHBondContact O-N 3Å; I528-Y622 HydrophobicContact CD1-CD1 3.81Å; I528-Y622 HydrophobicContact CD1-CE1 4.29Å; I528-L624 HydrophobicContact CD1-CD2 3.71Å; I528-W629 HydrophobicContact CD1-CH2 4.04Å; I528-W629 HydrophobicContact CD1-CZ2 4.09Å; I528-W629 HydrophobicContact CG1-CH2 4.31Å; I528-W629 HydrophobicContact CG1-CZ2 4.18Å |
| 529 | R | 89.2 | Confident | 88.8 | Confident | 127 Ų | 127 | 51.3 Ų | 51.3 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.6 | -45 | 178 | -166.2 | -173.7 | -55.9 | 164.4 | 4.5 | 112 | L525 K526 D527 S531 K532 R533 | L525-R529 PolarHBondContact O-N 3.14Å; K526-R529 PolarHBondContact O-N 3.22Å; K526-R529 VanDerWaalsContact O-N 3.15Å; D527-R529 VanDerWaalsContact C-N 3.34Å; D527-R529 PolarHBondContact O-N 3.5Å; R529-S531 VanDerWaalsContact C-N 3.28Å; R529-S531 PolarHBondContact O-N 3.28Å; R529-K532 WeakPolarHBondContact O-CB 3.43Å; R529-K532 PolarHBondContact O-N 3.08Å; R529-R533 PolarHBondContact O-N 3.45Å |
| 530 | D | 89 | Confident | 88.6 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 175.2 | -91.5 | -40.8 | 0 | 0 | 0 | 111.1 | K526 D527 K532 R533 I534 | K526-D530 WeakPolarHBondContact O-CB 3.49Å; K526-D530 PolarHBondContact O-N 2.93Å; D527-D530 PolarHBondContact O-N 2.84Å; D530-K532 PolarHBondContact O-N 3.46Å; D530-R533 WeakPolarHBondContact O-CB 3.48Å; D530-R533 PolarHBondContact O-N 3.11Å; D530-R533 IonicContact OD1-CZ 3.62Å; D530-R533 IonicContact OD1-NE 3.64Å; D530-R533 IonicContact OD1-NH2 2.86Å; D530-R533 PolarHBondContact OD1-NH2 3.39Å; D530-I534 WeakPolarHBondContact O-CG1 3.26Å; D530-I534 PolarHBondContact O-N 3.23Å |
| 531 | S | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 174.9 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | D527 I528 R529 R533 I534 A535 A621 Y622 I623 | D527-S531 WeakPolarHBondContact O-CB 3.2Å; D527-S531 PolarHBondContact O-N 3.28Å; I528-S531 WeakPolarHBondContact O-CB 3.42Å; I528-S531 PolarHBondContact O-N 2.97Å; R529-S531 VanDerWaalsContact C-N 3.28Å; R529-S531 PolarHBondContact O-N 3.28Å; S531-R533 VanDerWaalsContact C-N 3.27Å; S531-R533 PolarHBondContact O-N 2.94Å; S531-I534 PolarHBondContact O-N 3.22Å; S531-A535 WeakPolarHBondContact O-CB 3.39Å; S531-A535 PolarHBondContact O-N 3.02Å; S531-A621 PolarHBondContact OG-O 3.43Å; S531-A621 VanDerWaalsContact OG-O 3.09Å; S531-Y622 WeakPolarHBondContact OG-CA 3.11Å; S531-I623 PolarHBondContact OG-N 2.71Å |
| 532 | K | 89.2 | Confident | 87.1 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56 | -46.1 | 173.6 | -170.2 | -175.3 | -174.3 | 176.9 | 0 | 110.9 | F497 I528 R529 D530 A535 N536 | F497-K532 HydrophobicContact CB-CB 3.7Å; F497-K532 HydrophobicContact CB-CD 3.65Å; F497-K532 HydrophobicContact CB-CG 3.66Å; F497-K532 HydrophobicContact CD1-CB 3.71Å; F497-K532 HydrophobicContact CD1-CG 4.29Å; F497-K532 HydrophobicContact CD2-CB 4.16Å; F497-K532 HydrophobicContact CD2-CG 3.83Å; F497-K532 HydrophobicContact CE1-CB 4.34Å; F497-K532 HydrophobicContact CG-CB 3.61Å; F497-K532 HydrophobicContact CG-CD 4.25Å; F497-K532 HydrophobicContact CG-CG 3.69Å; I528-K532 PolarHBondContact O-N 3Å; R529-K532 WeakPolarHBondContact O-CB 3.43Å; R529-K532 PolarHBondContact O-N 3.08Å; D530-K532 PolarHBondContact O-N 3.46Å; K532-A535 PolarHBondContact O-N 2.94Å; K532-N536 VanDerWaalsContact O-CG 3.32Å; K532-N536 PolarHBondContact O-N 3.26Å; K532-N536 VanDerWaalsContact O-N 3.08Å; K532-N536 PolarHBondContact O-OD1 2.54Å |
| 533 | R | 87.9 | Confident | 86.2 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 178.5 | -177 | 176.5 | 61.7 | 139.1 | -9.9 | 111.4 | R529 D530 S531 N536 L537 | R529-R533 PolarHBondContact O-N 3.45Å; D530-R533 WeakPolarHBondContact O-CB 3.48Å; D530-R533 PolarHBondContact O-N 3.11Å; D530-R533 IonicContact OD1-CZ 3.62Å; D530-R533 IonicContact OD1-NE 3.64Å; D530-R533 IonicContact OD1-NH2 2.86Å; D530-R533 PolarHBondContact OD1-NH2 3.39Å; S531-R533 VanDerWaalsContact C-N 3.27Å; S531-R533 PolarHBondContact O-N 2.94Å; R533-N536 PolarHBondContact O-N 3.47Å; R533-L537 HydrophobicContact CG-CD1 4.38Å; R533-L537 WeakPolarHBondContact O-CG 3.22Å; R533-L537 PolarHBondContact O-N 3.49Å; R533-L537 VanDerWaalsContact O-N 3.12Å |
| 534 | I | 87.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 179.6 | -61.1 | 163.2 | 0 | 0 | 0 | 111.2 | D530 S531 N536 L537 V538 I623 F654 | D530-I534 WeakPolarHBondContact O-CG1 3.26Å; D530-I534 PolarHBondContact O-N 3.23Å; S531-I534 PolarHBondContact O-N 3.22Å; I534-N536 VanDerWaalsContact C-N 3.29Å; I534-N536 PolarHBondContact O-N 2.97Å; I534-L537 PolarHBondContact O-N 2.83Å; I534-V538 HydrophobicContact CG2-CG2 4.15Å; I534-V538 WeakPolarHBondContact O-CG2 3.47Å; I534-V538 PolarHBondContact O-N 3.3Å; I534-I623 HydrophobicContact CB-CD1 3.98Å; I534-I623 HydrophobicContact CD1-CB 4.45Å; I534-I623 HydrophobicContact CD1-CD1 3.96Å; I534-I623 HydrophobicContact CD1-CG2 4.39Å; I534-I623 HydrophobicContact CG2-CD1 3.44Å; I534-I623 VanDerWaalsContact CG2-CD1 3.44Å; I534-F654 HydrophobicContact CD1-CE2 4.41Å; I534-F654 HydrophobicContact CG2-CD2 3.93Å; I534-F654 HydrophobicContact CG2-CE2 4.09Å |
| 535 | A | 86.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 57 Ų | 57 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F497 S531 K532 V538 S539 | F497-A535 HydrophobicContact CZ-CB 4.09Å; S531-A535 WeakPolarHBondContact O-CB 3.39Å; S531-A535 PolarHBondContact O-N 3.02Å; K532-A535 PolarHBondContact O-N 2.94Å; A535-V538 PolarHBondContact O-N 3Å; A535-S539 WeakPolarHBondContact O-CB 3.47Å; A535-S539 PolarHBondContact O-N 2.79Å; A535-S539 PolarHBondContact O-OG 2.96Å |
| 536 | N | 86.5 | Confident | 80.9 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 175 | -69.8 | -2.2 | 0 | 0 | 0 | 111.7 | K532 R533 I534 V538 S539 E540 | K532-N536 VanDerWaalsContact O-CG 3.32Å; K532-N536 PolarHBondContact O-N 3.26Å; K532-N536 VanDerWaalsContact O-N 3.08Å; K532-N536 PolarHBondContact O-OD1 2.54Å; R533-N536 PolarHBondContact O-N 3.47Å; I534-N536 VanDerWaalsContact C-N 3.29Å; I534-N536 PolarHBondContact O-N 2.97Å; N536-V538 VanDerWaalsContact C-N 3.33Å; N536-V538 PolarHBondContact O-N 2.62Å; N536-S539 WeakPolarHBondContact CA-OG 3.43Å; N536-S539 PolarHBondContact O-N 3.31Å; N536-S539 VanDerWaalsContact O-N 3.13Å; N536-S539 PolarHBondContact O-OG 3.43Å; N536-E540 WeakPolarHBondContact O-CG 3.23Å; N536-E540 PolarHBondContact O-N 3.34Å |
| 537 | L | 86.5 | Confident | 78.3 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 36% | 0.356 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 178.5 | -69.9 | 170.7 | 0 | 0 | 0 | 112.9 | R533 I534 E540 A541 L657 | R533-L537 HydrophobicContact CG-CD1 4.38Å; R533-L537 WeakPolarHBondContact O-CG 3.22Å; R533-L537 PolarHBondContact O-N 3.49Å; R533-L537 VanDerWaalsContact O-N 3.12Å; I534-L537 PolarHBondContact O-N 2.83Å; L537-E540 PolarHBondContact O-N 2.81Å; L537-A541 WeakPolarHBondContact O-CB 3.34Å; L537-A541 PolarHBondContact O-N 3.34Å; L537-L657 HydrophobicContact CB-CD1 4.24Å; L537-L657 HydrophobicContact CB-CD2 4.16Å; L537-L657 HydrophobicContact CD1-CD2 4.26Å |
| 538 | V | 85.1 | Confident | 75.7 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.7 | -38 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111 | I534 A535 N536 E540 A541 T542 Y650 C653 L657 | I534-V538 HydrophobicContact CG2-CG2 4.15Å; I534-V538 WeakPolarHBondContact O-CG2 3.47Å; I534-V538 PolarHBondContact O-N 3.3Å; A535-V538 PolarHBondContact O-N 3Å; N536-V538 VanDerWaalsContact C-N 3.33Å; N536-V538 PolarHBondContact O-N 2.62Å; V538-E540 VanDerWaalsContact C-N 3.33Å; V538-A541 PolarHBondContact O-N 2.87Å; V538-T542 WeakPolarHBondContact O-CG2 3.23Å; V538-T542 PolarHBondContact O-N 3.44Å; V538-T542 PolarHBondContact O-OG1 3.03Å; V538-Y650 HydrophobicContact CB-CE2 4.07Å; V538-Y650 HydrophobicContact CG1-CD2 3.65Å; V538-Y650 HydrophobicContact CG1-CE2 3.53Å; V538-Y650 HydrophobicContact CG1-CG 4.33Å; V538-Y650 HydrophobicContact CG2-CE2 4.4Å; V538-C653 HydrophobicContact CG1-CB 4.06Å; V538-L657 HydrophobicContact CG2-CD1 3.68Å |
| 539 | S | 82.3 | Confident | 73.2 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 175.4 | 77 | 0 | 0 | 0 | 0 | 112.9 | A535 N536 T542 S543 | A535-S539 WeakPolarHBondContact O-CB 3.47Å; A535-S539 PolarHBondContact O-N 2.79Å; A535-S539 PolarHBondContact O-OG 2.96Å; N536-S539 WeakPolarHBondContact CA-OG 3.43Å; N536-S539 PolarHBondContact O-N 3.31Å; N536-S539 VanDerWaalsContact O-N 3.13Å; N536-S539 PolarHBondContact O-OG 3.43Å; S539-T542 VanDerWaalsContact CA-OG1 3.29Å; S539-T542 WeakPolarHBondContact CA-OG1 3.15Å; S539-T542 PolarHBondContact O-OG1 3.44Å; S539-S543 WeakPolarHBondContact O-CB 3.13Å; S539-S543 PolarHBondContact O-N 2.68Å; S539-S543 PolarHBondContact O-OG 2.97Å |
| 540 | E | 83.2 | Confident | 70.6 | Confident | 115 Ų | 115 | 76.7 Ų | 76.7 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.1 | -46.4 | 173.6 | -73.7 | 172.2 | -170.8 | 0 | 0 | 110.9 | N536 L537 V538 T542 S543 T544 | N536-E540 WeakPolarHBondContact O-CG 3.23Å; N536-E540 PolarHBondContact O-N 3.34Å; L537-E540 PolarHBondContact O-N 2.81Å; V538-E540 VanDerWaalsContact C-N 3.33Å; E540-T542 VanDerWaalsContact C-N 3.29Å; E540-T542 PolarHBondContact O-N 3.29Å; E540-S543 WeakPolarHBondContact O-CB 3.37Å; E540-S543 PolarHBondContact O-N 3.49Å; E540-S543 VanDerWaalsContact O-N 3.09Å; E540-T544 WeakPolarHBondContact O-CG2 3.25Å; E540-T544 PolarHBondContact O-N 3.22Å; E540-T544 PolarHBondContact O-OG1 3.28Å |
| 541 | A | 78.5 | Confident | 67.9 | Low | 28 Ų | 28 | 81 Ų | 81 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.3 | -30.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L537 V538 T544 N545 | L537-A541 WeakPolarHBondContact O-CB 3.34Å; L537-A541 PolarHBondContact O-N 3.34Å; V538-A541 PolarHBondContact O-N 2.87Å; A541-T544 WeakPolarHBondContact CA-OG1 3.49Å; A541-T544 PolarHBondContact O-OG1 3.16Å; A541-N545 PolarHBondContact O-N 2.92Å; A541-N545 PolarHBondContact O-ND2 3.38Å |
| 542 | T | 70.6 | Confident | 65.1 | Low | 50 Ų | 50 | 88 Ų | 88 | 31% | 0.307 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.3 | -33.7 | 173.8 | 41 | 0 | 0 | 0 | 0 | 111.5 | V538 S539 E540 S546 | V538-T542 WeakPolarHBondContact O-CG2 3.23Å; V538-T542 PolarHBondContact O-N 3.44Å; V538-T542 PolarHBondContact O-OG1 3.03Å; S539-T542 VanDerWaalsContact CA-OG1 3.29Å; S539-T542 WeakPolarHBondContact CA-OG1 3.15Å; S539-T542 PolarHBondContact O-OG1 3.44Å; E540-T542 VanDerWaalsContact C-N 3.29Å; E540-T542 PolarHBondContact O-N 3.29Å; T542-S546 PolarHBondContact O-OG 2.83Å |
| 543 | S | 71 | Confident | 62.4 | Low | 68 Ų | 68 | 91 Ų | 91 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75 | -29.4 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | S539 E540 S546 | S539-S543 WeakPolarHBondContact O-CB 3.13Å; S539-S543 PolarHBondContact O-N 2.68Å; S539-S543 PolarHBondContact O-OG 2.97Å; E540-S543 WeakPolarHBondContact O-CB 3.37Å; E540-S543 PolarHBondContact O-N 3.49Å; E540-S543 VanDerWaalsContact O-N 3.09Å; S543-S546 PolarHBondContact O-OG 3.17Å |
| 544 | T | 60.4 | Low | 59.6 | Low | 77 Ų | 77 | 89.7 Ų | 89.7 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -78.2 | -38.9 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | E540 A541 S546 K547 E548 | E540-T544 WeakPolarHBondContact O-CG2 3.25Å; E540-T544 PolarHBondContact O-N 3.22Å; E540-T544 PolarHBondContact O-OG1 3.28Å; A541-T544 WeakPolarHBondContact CA-OG1 3.49Å; A541-T544 PolarHBondContact O-OG1 3.16Å; T544-S546 PolarHBondContact O-N 2.75Å; T544-K547 PolarHBondContact O-N 2.65Å; T544-E548 PolarHBondContact O-N 3.41Å; T544-E548 VanDerWaalsContact O-N 3.16Å |
| 545 | N | 54.5 | Low | 56.6 | Low | 57 Ų | 57 | 96.6 Ų | 96.6 | 31% | 0.305 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -23.8 | 175.2 | -86.1 | -60.2 | 0 | 0 | 0 | 113.7 | A541 | A541-N545 PolarHBondContact O-N 2.92Å; A541-N545 PolarHBondContact O-ND2 3.38Å |
| 546 | S | 48.7 | Very low | 53.9 | Low | 75 Ų | 75 | 106 Ų | 106 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -80.8 | -21.5 | 174.5 | 37.7 | 0 | 0 | 0 | 0 | 113 | T542 S543 T544 | T542-S546 PolarHBondContact O-OG 2.83Å; S543-S546 PolarHBondContact O-OG 3.17Å; T544-S546 PolarHBondContact O-N 2.75Å |
| 547 | K | 37.3 | Very low | 51.2 | Low | 161 Ų | 161 | 110.2 Ų | 110.2 | 70% | 0.7 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -84.5 | -36.7 | 174.6 | -71.1 | -178.2 | 179.4 | 177.4 | 0 | 113.1 | T544 K549 H550 | T544-K547 PolarHBondContact O-N 2.65Å; K547-K549 VanDerWaalsContact C-N 3.32Å; K547-K549 PolarHBondContact O-N 3.11Å; K547-H550 PolarHBondContact O-N 2.92Å; K547-H550 VanDerWaalsContact O-N 3.1Å |
| 548 | E | 36.8 | Very low | 48.6 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -35.2 | 177.3 | -76.9 | -177.9 | 162.7 | 0 | 0 | 112.6 | T544 H550 L551 | T544-E548 PolarHBondContact O-N 3.41Å; T544-E548 VanDerWaalsContact O-N 3.16Å; E548-H550 PolarHBondContact O-N 3.46Å; E548-H550 VanDerWaalsContact O-N 3.13Å; E548-L551 PolarHBondContact O-N 3.14Å |
| 549 | K | 36.1 | Very low | 45.9 | Very low | 172 Ų | 172 | 122 Ų | 122 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.5 | -16.3 | 174.4 | -77 | -175.6 | 177.8 | 178.4 | 0 | 114.6 | K547 | K547-K549 VanDerWaalsContact C-N 3.32Å; K547-K549 PolarHBondContact O-N 3.11Å |
| 550 | H | 34.2 | Very low | 43.3 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -95.2 | -11.7 | 178.9 | -128.5 | -68.6 | 0 | 0 | 0 | 113.3 | K547 E548 | K547-H550 PolarHBondContact O-N 2.92Å; K547-H550 VanDerWaalsContact O-N 3.1Å; E548-H550 PolarHBondContact O-N 3.46Å; E548-H550 VanDerWaalsContact O-N 3.13Å |
| 551 | L | 32.7 | Very low | 41 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -93.6 | -17.5 | 176.5 | -131.5 | 77.2 | 0 | 0 | 0 | 113.1 | E548 Q553 | E548-L551 PolarHBondContact O-N 3.14Å; L551-Q553 VanDerWaalsContact C-N 3.31Å; L551-Q553 PolarHBondContact O-N 3.24Å |
| 552 | D | 31.9 | Very low | 38.4 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 9.3 | 179.9 | -87.2 | -17.1 | 0 | 0 | 0 | 115.1 | ||
| 553 | Q | 33 | Very low | 36.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 2.9 | 179.4 | -84.1 | 178.5 | -2.4 | 0 | 0 | 115.5 | L551 | L551-Q553 VanDerWaalsContact C-N 3.31Å; L551-Q553 PolarHBondContact O-N 3.24Å |
| 554 | T | 27.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -127.3 | 79.6 | 170.4 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 555 | D | 26.1 | Very low | 32.1 | Very low | 161 Ų | 161 | 137 Ų | 137 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -178.1 | 78.5 | 148.3 | -92.3 | -20.3 | 0 | 0 | 0 | 111.3 | ||||
| 556 | K | 29.7 | Very low | 30.6 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -146.7 | 90.2 | 152.4 | -82.6 | -169.8 | -178.6 | 170.3 | 0 | 108.4 | ||||
| 557 | L | 28.4 | Very low | 29.5 | Very low | 167 Ų | 167 | 142 Ų | 142 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 176.3 | 94 | 145.9 | -93.9 | 169.8 | 0 | 0 | 0 | 109.5 | ||||
| 558 | L | 32.4 | Very low | 28.8 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | 173.3 | 136.6 | 109.2 | -134.9 | 77.8 | 0 | 0 | 0 | 110.9 | |||||
| 559 | N | 29.6 | Very low | 28.2 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 141.9 | 179.9 | -75.3 | -31.4 | 0 | 0 | 0 | 113.3 | ||||
| 560 | S | 27.3 | Very low | 27.6 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 141.8 | 149.2 | 115 | 66.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 561 | P | 33.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -103.3 | 166.7 | -154.2 | 39 | -31 | 0 | 0 | 0 | 113.4 | ||||
| 562 | T | 23.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 166.4 | 121.9 | 135.5 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 563 | L | 23 | Very low | 26.3 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 30.4 | 123.4 | 145.9 | -73.6 | 143.2 | 0 | 0 | 0 | 122.2 | ||||
| 564 | A | 23.2 | Very low | 25.9 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | 142.1 | 129.3 | 108.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 565 | S | 23.8 | Very low | 25.7 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 60.3 | 126.5 | 143.3 | 78.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 566 | D | 22.3 | Very low | 25.7 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | 73.7 | 133.9 | 126.9 | -67.6 | -8.9 | 0 | 0 | 0 | 123.8 | |||||
| 567 | G | 26.1 | Very low | 25.4 | Very low | 68 Ų | 68 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 122.7 | 99.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 568 | N | 23.8 | Very low | 25.1 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 52.1 | 132 | 97.7 | -86 | 18.7 | 0 | 0 | 0 | 113.4 | |||||
| 569 | E | 23.2 | Very low | 24.6 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | cis | -178.3 | 147 | 24.8 | -111.8 | 174.1 | 178.7 | 0 | 0 | 108.3 | ||||
| 570 | I | 23.9 | Very low | 24.5 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | trans | 62.9 | 125.6 | 135.2 | -43.4 | 162.8 | 0 | 0 | 0 | 116.6 | ||||
| 571 | I | 27.3 | Very low | 24.2 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | -175 | 129.5 | 76.8 | -76 | 169.4 | 0 | 0 | 0 | 110.2 | |||||
| 572 | E | 21.8 | Very low | 23.8 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 35.2 | 151.4 | 136.6 | -59.5 | 173.6 | 154.8 | 0 | 0 | 121.4 | ||||
| 573 | S | 22.2 | Very low | 23.8 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | -173.4 | 173.1 | -5 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 574 | D | 23.4 | Very low | 23.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 81 | 138 | 159.4 | -56.2 | -28.6 | 0 | 0 | 0 | 118.9 | ||||
| 575 | E | 24.3 | Very low | 23.8 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | cis | -165.8 | 155.4 | 10.2 | -129.3 | 179.4 | 176.8 | 0 | 0 | 110.9 | ||||
| 576 | T | 25.5 | Very low | 23.9 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 76 | 116 | 152.7 | 63.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 577 | Q | 24.4 | Very low | 23.9 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 145.3 | 175.7 | -73.8 | 171.9 | -17 | 0 | 0 | 113.3 | ||||
| 578 | L | 22.1 | Very low | 24.1 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -55.4 | 132.2 | 163.8 | -67.7 | 133.1 | 0 | 0 | 0 | 113.2 | ||||
| 579 | K | 22.4 | Very low | 24.5 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -162.3 | 98 | 144.8 | -123.2 | 176.7 | -179.8 | -179.2 | 0 | 110.1 | ||||
| 580 | V | 26 | Very low | 25.4 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -135.2 | 115 | 155.7 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 581 | D | 22.5 | Very low | 26 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -58.6 | 130.5 | 180 | -66.5 | -52.3 | 0 | 0 | 0 | 112.1 | ||||
| 582 | C | 24.1 | Very low | 26.9 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 90% | 0.899 | 67% | 0.669 | S | S | * | * | trans | -88.9 | 104.2 | 165.1 | -78.2 | 0 | 0 | 0 | 0 | 108.7 | E584 | C582-E584 PolarHBondContact O-N 3.29Š| ||
| 583 | L | 24.1 | Very low | 27.9 | Very low | 156 Ų | 156 | 115.7 Ų | 115.7 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | trans | -75.1 | 115.8 | 164.5 | -92.9 | 152.2 | 0 | 0 | 0 | 110.2 | ||||
| 584 | E | 24.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 111.8 Ų | 111.8 | 83% | 0.827 | 60% | 0.604 | S | S | * | * | trans | 45.2 | 124.9 | 146.8 | -67.7 | -174.6 | 158.4 | 0 | 0 | 121.9 | C582 K586 | C582-E584 PolarHBondContact O-N 3.29Å; E584-K586 PolarHBondContact O-N 2.91Å | ||
| 585 | N | 23.3 | Very low | 29.1 | Very low | 169 Ų | 169 | 106.4 Ų | 106.4 | 90% | 0.904 | 58% | 0.581 | S | S | * | * | trans | -58.2 | 114.4 | 171.9 | -66.5 | -45.3 | 0 | 0 | 0 | 113.1 | ||||
| 586 | K | 24.4 | Very low | 29.5 | Very low | 184 Ų | 184 | 99.2 Ų | 99.2 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | trans | -134.9 | 130.1 | 143.1 | -92.8 | 178 | 179.5 | 172.2 | 0 | 108.3 | E584 T588 | E584-K586 PolarHBondContact O-N 2.91Å; K586-T588 PolarHBondContact O-N 3.36Å | ||
| 587 | A | 23.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 96.2 Ų | 96.2 | 94% | 0.942 | 53% | 0.53 | S | S | * | . | trans | -61.6 | 107.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 588 | T | 29.1 | Very low | 29.9 | Very low | 61 Ų | 61 | 88.2 Ų | 88.2 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | trans | -114.8 | 121 | 177.8 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | K586 | K586-T588 PolarHBondContact O-N 3.36Š| ||
| 589 | S | 33 | Very low | 30 | Very low | 70 Ų | 70 | 84.9 Ų | 84.9 | 49% | 0.49 | 48% | 0.48 | S | S | . | . | trans | -64.8 | 136.4 | 170.3 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | I626 | S589-I626 VanDerWaalsContact O-CG2 3.29Å; S589-I626 WeakPolarHBondContact O-CG2 3.38Å | ||
| 590 | I | 41 | Very low | 30.2 | Very low | 9 Ų | 9 | 80.7 Ų | 80.7 | 5% | 0.046 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.7 | -174.4 | -61.7 | 174.5 | 0 | 0 | 0 | 109 | I623 F654 R661 L663 V664 | I590-I623 HydrophobicContact CG2-CG2 3.33Å; I590-F654 HydrophobicContact CD1-CZ 4.36Å; I590-R661 HydrophobicContact CD1-CB 4.15Å; I590-R661 HydrophobicContact CD1-CG 4.03Å; I590-L663 HydrophobicContact CG2-CD2 4.21Å; I590-V664 PolarHBondContact O-N 3.29Å |
| 591 | V | 38 | Very low | 30.5 | Very low | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.024 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.5 | -174.9 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | L624 I626 V664 M666 | V591-L624 PolarHBondContact N-O 3.4Å; V591-L624 PolarHBondContact O-N 3.04Å; V591-I626 HydrophobicContact CG2-CB 3.94Å; V591-I626 HydrophobicContact CG2-CD1 3.87Å; V591-I626 HydrophobicContact CG2-CG1 3.81Å; V591-V664 WeakPolarHBondContact CA-O 2.95Å; V591-M666 HydrophobicContact CB-CE 4.24Å; V591-M666 HydrophobicContact CG1-CB 4.49Å; V591-M666 HydrophobicContact CG1-CE 3.37Å; V591-M666 HydrophobicContact CG1-CG 3.72Å; V591-M666 HydrophobicContact CG1-SD 3.27Å; V591-M666 WeakPolarHBondContact CG1-SD 3.47Å; V591-M666 HydrophobicContact CG2-CE 3.78Å |
| 592 | C | 45.4 | Very low | 30.7 | Very low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.5 | 179.2 | -76.9 | 0 | 0 | 0 | 0 | 114 | Y622 L663 V664 W665 M666 | C592-Y622 VanDerWaalsContact CA-O 3.23Å; C592-Y622 WeakPolarHBondContact CA-O 3.23Å; C592-L663 WeakPolarHBondContact SG-CD2 3.5Å; C592-V664 PolarHBondContact N-O 3.19Å; C592-W665 HydrophobicContact CB-CD2 4.21Å; C592-W665 HydrophobicContact CB-CE3 3.54Å; C592-W665 HydrophobicContact CB-CH2 4.5Å; C592-W665 HydrophobicContact CB-CZ3 3.7Å; C592-M666 PolarHBondContact O-N 3.05Å |
| 593 | V | 43 | Very low | 30.7 | Very low | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.036 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.1 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | L492 A621 Y622 L624 L669 | L492-V593 HydrophobicContact CD2-CG2 4.12Å; V593-A621 CarbonylContact O-C 3.56Å; V593-A621 VanDerWaalsContact O-CA 3.24Å; V593-A621 WeakPolarHBondContact O-CA 3.12Å; V593-Y622 PolarHBondContact N-O 2.85Å; V593-Y622 PolarHBondContact O-N 3.16Å; V593-L624 HydrophobicContact CG2-CD1 4.03Å; V593-L669 HydrophobicContact CG1-CB 3.74Å; V593-L669 WeakPolarHBondContact CG1-O 3.42Å; V593-L669 HydrophobicContact CG2-CB 4.14Å; V593-L669 HydrophobicContact CG2-CD1 4.24Å |
| 594 | T | 38 | Very low | 30.8 | Very low | 4 Ų | 4 | 71.5 Ų | 71.5 | 3% | 0.025 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.5 | -166.6 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | L619 F647 W665 G670 L671 | T594-L619 HydrophobicContact CG2-CD1 4.3Å; T594-F647 HydrophobicContact CG2-CD1 4.2Å; T594-F647 HydrophobicContact CG2-CE1 3.44Å; T594-F647 VanDerWaalsContact CG2-CE1 3.44Å; T594-F647 HydrophobicContact CG2-CZ 4.32Å; T594-W665 HydrophobicContact CG2-CD2 4.31Å; T594-W665 HydrophobicContact CG2-CE3 3.26Å; T594-W665 HydrophobicContact CG2-CH2 4.41Å; T594-W665 HydrophobicContact CG2-CZ3 3.33Å; T594-G670 CarbonylContact O-C 3.54Å; T594-G670 WeakPolarHBondContact O-CA 3.46Å; T594-L671 PolarHBondContact O-N 3.45Å |
| 595 | G | 32.7 | Very low | 30.8 | Very low | 24 Ų | 24 | 68.3 Ų | 68.3 | 25% | 0.247 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S620 L671 | G595-S620 WeakPolarHBondContact CA-O 3.49Å; G595-S620 PolarHBondContact N-O 3.06Å; G595-S620 PolarHBondContact O-N 3.09Å; G595-S620 VanDerWaalsContact O-O 3.08Å; G595-L671 VanDerWaalsContact CA-O 3.27Å; G595-L671 WeakPolarHBondContact CA-O 3.44Å |
| 596 | A | 33.9 | Very low | 30.9 | Very low | 9 Ų | 9 | 67.3 Ų | 67.3 | 7% | 0.074 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F617 L619 L671 V672 N673 | A596-F617 HydrophobicContact CB-CD2 3.51Å; A596-F617 HydrophobicContact CB-CE2 3.43Å; A596-F617 VanDerWaalsContact CB-CE2 3.43Å; A596-L619 HydrophobicContact CB-CD1 4.31Å; A596-L671 PolarHBondContact N-O 3.45Å; A596-L671 VanDerWaalsContact N-O 3.13Å; A596-V672 HydrophobicContact CB-CG1 3.96Å; A596-V672 HydrophobicContact CB-CG2 4.19Å; A596-V672 CarbonylContact O-C 3.48Å; A596-V672 VanDerWaalsContact O-CA 3.26Å; A596-V672 WeakPolarHBondContact O-CA 3.14Å; A596-V672 WeakPolarHBondContact O-CG1 3.29Å; A596-N673 PolarHBondContact O-N 2.78Å |
| 597 | T | 27.5 | Very low | 30.8 | Very low | 67 Ų | 67 | 66 Ų | 66 | 41% | 0.411 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 105.2 | 177.1 | -18.4 | 0 | 0 | 0 | 0 | 109.3 | F617 P618 N673 | T597-F617 VanDerWaalsContact O-CB 3.27Å; T597-F617 WeakPolarHBondContact O-CB 3.33Å; T597-P618 PolarHBondContact N-O 2.7Å; T597-P618 WeakPolarHBondContact O-CD 3.45Å; T597-N673 HydrophobicContact CG2-CB 3.99Å |
| 598 | M | 29.6 | Very low | 30.9 | Very low | 25 Ų | 25 | 65.1 Ų | 65.1 | 12% | 0.123 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.4 | 179.3 | -85.8 | -79.5 | -172.3 | 0 | 0 | 111.2 | I615 F617 F643 N673 I674 | M598-I615 HydrophobicContact CE-CG2 3.49Å; M598-I615 VanDerWaalsContact CE-CG2 3.49Å; M598-I615 HydrophobicContact SD-CG2 3.59Å; M598-I615 VanDerWaalsContact SD-CG2 3.59Å; M598-F617 HydrophobicContact CE-CD1 3.05Å; M598-F617 HydrophobicContact CE-CE1 3.15Å; M598-F617 HydrophobicContact CE-CG 3.85Å; M598-F617 HydrophobicContact CE-CZ 4.03Å; M598-F617 HydrophobicContact CG-CB 4.42Å; M598-F617 HydrophobicContact CG-CD1 4.44Å; M598-F617 HydrophobicContact CG-CG 4.4Å; M598-F617 HydrophobicContact SD-CB 4.06Å; M598-F617 HydrophobicContact SD-CD1 3.64Å; M598-F617 HydrophobicContact SD-CE1 4.34Å; M598-F617 HydrophobicContact SD-CG 4.05Å; M598-F643 HydrophobicContact CE-CD1 3.63Å; M598-F643 HydrophobicContact CE-CE1 3.29Å; M598-F643 HydrophobicContact CE-CZ 3.97Å; M598-N673 PolarHBondContact N-O 2.94Å; M598-I674 HydrophobicContact CB-CG2 4.27Å |
| 599 | T | 25.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 69.8 Ų | 69.8 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | trans | -107.8 | 124.1 | 169.1 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 600 | S | 26.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 74 Ų | 74 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | trans | 79.1 | 105.1 | 168.4 | -52.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 601 | I | 30.7 | Very low | 29.7 | Very low | 70 Ų | 70 | 80.5 Ų | 80.5 | 36% | 0.359 | 49% | 0.486 | S | S | . | . | trans | -118.3 | 97.7 | 156.8 | -59.4 | 173.6 | 0 | 0 | 0 | 107.1 | T677 T699 | I601-T677 PolarHBondContact O-OG1 3.09Å; I601-T699 HydrophobicContact CD1-CG2 4.29Å; I601-T699 HydrophobicContact CG2-CG2 3.8Å | ||
| 602 | T | 26.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 86.7 Ų | 86.7 | 74% | 0.742 | 52% | 0.524 | S | S | * | . | trans | -89.8 | 118.8 | -180 | -20.6 | 0 | 0 | 0 | 0 | 110.1 | A604 | T602-A604 PolarHBondContact O-N 2.93Š| ||
| 603 | T | 23.9 | Very low | 29.2 | Very low | 97 Ų | 97 | 93 Ų | 93 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | trans | -75.8 | 100.1 | 161.8 | 46 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 604 | A | 26.1 | Very low | 29.5 | Very low | 88 Ų | 88 | 98.8 Ų | 98.8 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | trans | -120.5 | 113.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | T602 | T602-A604 PolarHBondContact O-N 2.93Š| ||
| 605 | S | 25 | Very low | 30.7 | Very low | 110 Ų | 110 | 100.7 Ų | 100.7 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | trans | -68 | 136.7 | 166.6 | 42 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 606 | N | 24.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 103.6 Ų | 103.6 | 80% | 0.797 | 62% | 0.62 | S | S | * | * | trans | 92.6 | 126.2 | 161.1 | -67.2 | -26.2 | 0 | 0 | 0 | 120.8 | ||||
| 607 | L | 24.2 | Very low | 34.6 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | trans | 85.4 | 99.8 | 160.9 | -82.5 | 82.6 | 0 | 0 | 0 | 120.3 | ||||
| 608 | S | 25.2 | Very low | 37.1 | Very low | 96 Ų | 96 | 104.8 Ų | 104.8 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | trans | 31.6 | 105 | 134.3 | 63.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 609 | N | 23.9 | Very low | 39.7 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 85% | 0.85 | 63% | 0.627 | S | S | * | * | -176.6 | 145.2 | 116.3 | -103.6 | -20.3 | 0 | 0 | 0 | 111.5 | N611 | N609-N611 PolarHBondContact O-N 3.32Å; N609-N611 VanDerWaalsContact O-N 3.13Å | |||
| 610 | N | 25.5 | Very low | 42.4 | Very low | 158 Ų | 158 | 102.3 Ų | 102.3 | 85% | 0.845 | 61% | 0.613 | S | S | * | * | trans | -46.9 | 113.1 | 168.7 | -74 | -29.9 | 0 | 0 | 0 | 111.3 | ||||
| 611 | N | 27.2 | Very low | 45.2 | Very low | 146 Ų | 146 | 97.5 Ų | 97.5 | 78% | 0.781 | 58% | 0.579 | S | S | * | * | trans | -147.8 | 126.2 | 150.5 | -94.3 | -23.8 | 0 | 0 | 0 | 107.7 | N609 N613 | N609-N611 PolarHBondContact O-N 3.32Å; N609-N611 VanDerWaalsContact O-N 3.13Å; N611-N613 PolarHBondContact O-N 3.4Å | ||
| 612 | V | 33.4 | Very low | 47.8 | Very low | 134 Ų | 134 | 95.4 Ų | 95.4 | 81% | 0.812 | 57% | 0.567 | S | S | * | * | trans | -59.9 | 105.1 | 171.1 | 176.4 | 0 | 0 | 0 | 0 | 106.5 | N614 | V612-N614 VanDerWaalsContact C-N 3.28Å; V612-N614 PolarHBondContact O-N 2.96Å | ||
| 613 | N | 39.8 | Very low | 50.8 | Low | 133 Ų | 133 | 90.3 Ų | 90.3 | 71% | 0.711 | 54% | 0.535 | S | S | * | . | trans | -67 | 88.3 | 176.7 | -75.3 | -16.7 | 0 | 0 | 0 | 108.5 | N611 I615 | N611-N613 PolarHBondContact O-N 3.4Å; N613-I615 PolarHBondContact O-N 2.97Å | ||
| 614 | N | 50.7 | Low | 53.8 | Low | 127 Ų | 127 | 85.8 Ų | 85.8 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | trans | -69.3 | 99.1 | 168.7 | -100.2 | -3.2 | 0 | 0 | 0 | 108.1 | V612 A616 | V612-N614 VanDerWaalsContact C-N 3.28Å; V612-N614 PolarHBondContact O-N 2.96Å; N614-A616 PolarHBondContact O-N 3.46Å | ||
| 615 | I | 62.2 | Low | 56.6 | Low | 44 Ų | 44 | 82.7 Ų | 82.7 | 23% | 0.226 | 48% | 0.481 | C | S | . | . | trans | -72.3 | 118 | 174.9 | -52.5 | 177.9 | 0 | 0 | 0 | 107.3 | M598 N613 F617 D642 F643 V646 | M598-I615 HydrophobicContact CE-CG2 3.49Å; M598-I615 VanDerWaalsContact CE-CG2 3.49Å; M598-I615 HydrophobicContact SD-CG2 3.59Å; M598-I615 VanDerWaalsContact SD-CG2 3.59Å; N613-I615 PolarHBondContact O-N 2.97Å; I615-F617 HydrophobicContact CG2-CD1 4.16Å; I615-D642 HydrophobicContact CD1-CB 3.6Å; I615-D642 HydrophobicContact CG1-CB 4.23Å; I615-F643 HydrophobicContact CD1-CD1 4.15Å; I615-F643 HydrophobicContact CD1-CE1 3.77Å; I615-F643 HydrophobicContact CG2-CE1 4.41Å; I615-V646 WeakPolarHBondContact O-CG2 3.48Å | ||
| 616 | A | 68.3 | Low | 59.3 | Low | 86 Ų | 86 | 81 Ų | 81 | 71% | 0.711 | 46% | 0.462 | S | S | * | . | trans | -119.8 | 124.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | N614 | N614-A616 PolarHBondContact O-N 3.46Š| ||
| 617 | F | 80.5 | Confident | 61.9 | Low | 19 Ų | 19 | 80.1 Ų | 80.1 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | trans | -138.1 | 148.5 | 177.7 | 52.7 | -87.5 | 0 | 0 | 0 | 110 | A596 T597 M598 I615 L619 F643 V646 F647 | A596-F617 HydrophobicContact CB-CD2 3.51Å; A596-F617 HydrophobicContact CB-CE2 3.43Å; A596-F617 VanDerWaalsContact CB-CE2 3.43Å; T597-F617 VanDerWaalsContact O-CB 3.27Å; T597-F617 WeakPolarHBondContact O-CB 3.33Å; M598-F617 HydrophobicContact CE-CD1 3.05Å; M598-F617 HydrophobicContact CE-CE1 3.15Å; M598-F617 HydrophobicContact CE-CG 3.85Å; M598-F617 HydrophobicContact CE-CZ 4.03Å; M598-F617 HydrophobicContact CG-CB 4.42Å; M598-F617 HydrophobicContact CG-CD1 4.44Å; M598-F617 HydrophobicContact CG-CG 4.4Å; M598-F617 HydrophobicContact SD-CB 4.06Å; M598-F617 HydrophobicContact SD-CD1 3.64Å; M598-F617 HydrophobicContact SD-CE1 4.34Å; M598-F617 HydrophobicContact SD-CG 4.05Å; I615-F617 HydrophobicContact CG2-CD1 4.16Å; F617-L619 HydrophobicContact CE2-CB 4.36Å; F617-L619 HydrophobicContact CE2-CD1 4.42Å; F617-L619 PolarHBondContact O-N 3.32Å; F617-F643 HydrophobicContact CE1-CD1 4.17Å; F617-V646 HydrophobicContact CD1-CG1 4.43Å; F617-V646 HydrophobicContact CD1-CG2 3.99Å; F617-V646 HydrophobicContact CD2-CG1 4.18Å; F617-V646 HydrophobicContact CE1-CB 3.97Å; F617-V646 HydrophobicContact CE1-CG1 4.11Å; F617-V646 HydrophobicContact CE1-CG2 3.65Å; F617-V646 HydrophobicContact CE2-CB 4.45Å; F617-V646 HydrophobicContact CE2-CG1 3.84Å; F617-V646 HydrophobicContact CG-CG1 4.49Å; F617-V646 HydrophobicContact CZ-CB 3.91Å; F617-V646 HydrophobicContact CZ-CG1 3.82Å; F617-V646 HydrophobicContact CZ-CG2 4.13Å; F617-F647 HydrophobicContact CZ-CE2 4.4Å | ||
| 618 | P | 79.3 | Confident | 64.8 | Low | 82 Ų | 82 | 76.9 Ų | 76.9 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | trans | -61.1 | 120.3 | 171.4 | 25.7 | -35.1 | 0 | 0 | 0 | 109.9 | T597 | T597-P618 PolarHBondContact N-O 2.7Å; T597-P618 WeakPolarHBondContact O-CD 3.45Å | ||
| 619 | L | 83.7 | Confident | 67.6 | Low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.7 | 175.6 | 177.3 | 66.3 | 0 | 0 | 0 | 108.8 | T594 A596 F617 V646 F647 Y650 W665 | T594-L619 HydrophobicContact CG2-CD1 4.3Å; A596-L619 HydrophobicContact CB-CD1 4.31Å; F617-L619 HydrophobicContact CE2-CB 4.36Å; F617-L619 HydrophobicContact CE2-CD1 4.42Å; F617-L619 PolarHBondContact O-N 3.32Å; L619-V646 HydrophobicContact CB-CG1 4.05Å; L619-V646 HydrophobicContact CD2-CG1 4.26Å; L619-F647 HydrophobicContact CD1-CE1 3.86Å; L619-F647 HydrophobicContact CD2-CD1 3.63Å; L619-F647 HydrophobicContact CD2-CE1 3.8Å; L619-F647 HydrophobicContact CD2-CG 4.43Å; L619-Y650 HydrophobicContact CD2-CD2 4.04Å; L619-Y650 HydrophobicContact CD2-CG 4.04Å; L619-Y650 HydrophobicContact CG-CD2 4.18Å; L619-W665 HydrophobicContact CD2-CH2 3.99Å |
| 620 | S | 83.1 | Confident | 70.2 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 143.3 | 165.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | G595 | G595-S620 WeakPolarHBondContact CA-O 3.49Å; G595-S620 PolarHBondContact N-O 3.06Å; G595-S620 PolarHBondContact O-N 3.09Å; G595-S620 VanDerWaalsContact O-O 3.08Å |
| 621 | A | 85.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | S531 V593 Y650 W665 | S531-A621 PolarHBondContact OG-O 3.43Å; S531-A621 VanDerWaalsContact OG-O 3.09Å; V593-A621 CarbonylContact O-C 3.56Å; V593-A621 VanDerWaalsContact O-CA 3.24Å; V593-A621 WeakPolarHBondContact O-CA 3.12Å; A621-Y650 HydrophobicContact CB-CE1 3.89Å; A621-Y650 HydrophobicContact CB-CE2 4.27Å; A621-W665 HydrophobicContact CB-CH2 4.2Å; A621-W665 HydrophobicContact CB-CZ3 3.89Å |
| 622 | Y | 85.8 | Confident | 74.4 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.9 | 164.1 | -68.2 | -80.5 | 0 | 0 | 0 | 109.1 | Q494 F497 I528 S531 C592 V593 | Q494-Y622 PolarHBondContact O-OH 3.23Å; F497-Y622 AromaticContact CD1-CD1 3.94Å; F497-Y622 HydrophobicContact CD1-CD1 3.94Å; F497-Y622 AromaticContact CD1-CE1 3.46Å; F497-Y622 HydrophobicContact CD1-CE1 3.46Å; F497-Y622 VanDerWaalsContact CD1-CE1 3.46Å; F497-Y622 AromaticContact CE1-CD1 3.47Å; F497-Y622 HydrophobicContact CE1-CD1 3.47Å; F497-Y622 VanDerWaalsContact CE1-CD1 3.47Å; F497-Y622 AromaticContact CE1-CE1 3.28Å; F497-Y622 HydrophobicContact CE1-CE1 3.28Å; F497-Y622 HydrophobicContact CE1-CG 4.4Å; F497-Y622 HydrophobicContact CG-CE1 4.3Å; F497-Y622 HydrophobicContact CZ-CD1 4.32Å; F497-Y622 AromaticContact CZ-CE1 3.99Å; F497-Y622 HydrophobicContact CZ-CE1 3.99Å; I528-Y622 HydrophobicContact CD1-CD1 3.81Å; I528-Y622 HydrophobicContact CD1-CE1 4.29Å; S531-Y622 WeakPolarHBondContact OG-CA 3.11Å; C592-Y622 VanDerWaalsContact CA-O 3.23Å; C592-Y622 WeakPolarHBondContact CA-O 3.23Å; V593-Y622 PolarHBondContact N-O 2.85Å; V593-Y622 PolarHBondContact O-N 3.16Å |
| 623 | I | 88.6 | Confident | 75.9 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 108.5 | -179.2 | -53.7 | -160.5 | 0 | 0 | 0 | 108.4 | S531 I534 I590 F654 | S531-I623 PolarHBondContact OG-N 2.71Å; I534-I623 HydrophobicContact CB-CD1 3.98Å; I534-I623 HydrophobicContact CD1-CB 4.45Å; I534-I623 HydrophobicContact CD1-CD1 3.96Å; I534-I623 HydrophobicContact CD1-CG2 4.39Å; I534-I623 HydrophobicContact CG2-CD1 3.44Å; I534-I623 VanDerWaalsContact CG2-CD1 3.44Å; I590-I623 HydrophobicContact CG2-CG2 3.33Å; I623-F654 HydrophobicContact CD1-CD2 3.55Å; I623-F654 HydrophobicContact CD1-CE2 3.3Å; I623-F654 HydrophobicContact CD1-CZ 4.26Å; I623-F654 HydrophobicContact CG2-CE2 4.33Å; I623-F654 HydrophobicContact CG2-CZ 4.48Å |
| 624 | L | 87.7 | Confident | 77.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.3 | -168.7 | -51 | -179.1 | 0 | 0 | 0 | 111.2 | L492 D527 I528 V591 V593 W629 | L492-L624 HydrophobicContact CD2-CD1 3.76Å; D527-L624 HydrophobicContact CB-CD2 4.45Å; I528-L624 HydrophobicContact CD1-CD2 3.71Å; V591-L624 PolarHBondContact N-O 3.4Å; V591-L624 PolarHBondContact O-N 3.04Å; V593-L624 HydrophobicContact CG2-CD1 4.03Å; L624-W629 HydrophobicContact CD1-CD2 4.18Å; L624-W629 HydrophobicContact CD1-CE3 4.27Å; L624-W629 HydrophobicContact CD1-CH2 4.34Å; L624-W629 HydrophobicContact CD1-CZ2 4.25Å; L624-W629 HydrophobicContact CD1-CZ3 4.35Å; L624-W629 HydrophobicContact CD2-CH2 4.14Å; L624-W629 HydrophobicContact CD2-CZ2 3.56Å; L624-W629 HydrophobicContact CG-CZ2 4.36Å |
| 625 | S | 85.2 | Confident | 77.8 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 130.9 | 174.1 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | D527 H627 Y628 | D527-S625 WeakPolarHBondContact OD2-CB 3.26Å; D527-S625 PolarHBondContact OD2-N 2.94Å; D527-S625 PolarHBondContact OD2-OG 3.42Å; S625-H627 VanDerWaalsContact C-N 3.33Å; S625-H627 PolarHBondContact O-N 2.86Å; S625-Y628 WeakPolarHBondContact OG-CD2 3.39Å |
| 626 | I | 80.1 | Confident | 78.2 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.1 | -173.2 | -162.6 | 163.5 | 0 | 0 | 0 | 114 | S589 V591 | S589-I626 VanDerWaalsContact O-CG2 3.29Å; S589-I626 WeakPolarHBondContact O-CG2 3.38Å; V591-I626 HydrophobicContact CG2-CB 3.94Å; V591-I626 HydrophobicContact CG2-CD1 3.87Å; V591-I626 HydrophobicContact CG2-CG1 3.81Å |
| 627 | H | 80 | Confident | 79 | Confident | 131 Ų | 131 | 49 Ų | 49 | 61% | 0.606 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -26.9 | -170.3 | -67.2 | -60.2 | 0 | 0 | 0 | 114 | S625 | S625-H627 VanDerWaalsContact C-N 3.33Å; S625-H627 PolarHBondContact O-N 2.86Å |
| 628 | Y | 84.5 | Confident | 79.2 | Confident | 87 Ų | 87 | 52 Ų | 52 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -17.4 | -174.8 | -63.4 | -80.6 | 0 | 0 | 0 | 112.4 | K484 E520 V523 S625 | K484-Y628 WeakPolarHBondContact CE-O 3.26Å; K484-Y628 PolarHBondContact NZ-O 3.48Å; E520-Y628 HydrophobicContact CB-CD1 4.29Å; E520-Y628 HydrophobicContact CG-CD1 4.16Å; V523-Y628 HydrophobicContact CB-CD1 4.11Å; V523-Y628 HydrophobicContact CB-CD2 4.38Å; V523-Y628 HydrophobicContact CB-CG 3.99Å; V523-Y628 HydrophobicContact CG1-CD1 4.18Å; V523-Y628 HydrophobicContact CG1-CD2 3.56Å; V523-Y628 HydrophobicContact CG1-CE2 4.02Å; V523-Y628 HydrophobicContact CG1-CG 3.62Å; V523-Y628 HydrophobicContact CG2-CD1 4.23Å; V523-Y628 HydrophobicContact CG2-CE1 4.22Å; S625-Y628 WeakPolarHBondContact OG-CD2 3.39Å |
| 629 | W | 85.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -85.5 | 150.2 | 176.3 | -71.8 | 69.2 | 0 | 0 | 0 | 111.4 | L491 L492 M524 D527 I528 L624 | L491-W629 HydrophobicContact CB-CH2 3.92Å; L491-W629 HydrophobicContact CB-CZ3 4.47Å; L491-W629 HydrophobicContact CD1-CH2 3.95Å; L491-W629 HydrophobicContact CD1-CZ2 4.46Å; L492-W629 HydrophobicContact CD1-CE3 4.45Å; L492-W629 HydrophobicContact CD1-CZ3 4.11Å; L492-W629 HydrophobicContact CD2-CZ3 4.09Å; L492-W629 HydrophobicContact CG-CH2 4.5Å; L492-W629 HydrophobicContact CG-CZ3 3.8Å; M524-W629 HydrophobicContact CB-CZ2 3.94Å; M524-W629 HydrophobicContact CE-CD2 4.16Å; M524-W629 HydrophobicContact CE-CE3 3.93Å; M524-W629 HydrophobicContact CE-CH2 4.23Å; M524-W629 HydrophobicContact CE-CZ2 4.45Å; M524-W629 HydrophobicContact CE-CZ3 3.96Å; M524-W629 HydrophobicContact CG-CD2 4.1Å; M524-W629 HydrophobicContact CG-CG 4.23Å; M524-W629 HydrophobicContact CG-CZ2 4.24Å; D527-W629 PolarHBondContact OD2-NE1 3.19Å; I528-W629 HydrophobicContact CD1-CH2 4.04Å; I528-W629 HydrophobicContact CD1-CZ2 4.09Å; I528-W629 HydrophobicContact CG1-CH2 4.31Å; I528-W629 HydrophobicContact CG1-CZ2 4.18Å; L624-W629 HydrophobicContact CD1-CD2 4.18Å; L624-W629 HydrophobicContact CD1-CE3 4.27Å; L624-W629 HydrophobicContact CD1-CH2 4.34Å; L624-W629 HydrophobicContact CD1-CZ2 4.25Å; L624-W629 HydrophobicContact CD1-CZ3 4.35Å; L624-W629 HydrophobicContact CD2-CH2 4.14Å; L624-W629 HydrophobicContact CD2-CZ2 3.56Å; L624-W629 HydrophobicContact CG-CZ2 4.36Å |
| 630 | P | 78.8 | Confident | 79.6 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | trans | -55.9 | 162.9 | 167.6 | -25.4 | 37 | 0 | 0 | 0 | 112.1 | K484 L632 V808 | K484-P630 HydrophobicContact CD-CG 4.31Å; K484-P630 HydrophobicContact CG-CG 4.01Å; P630-L632 PolarHBondContact O-N 3.44Å; P630-V808 HydrophobicContact CB-CG1 3.4Å; P630-V808 VanDerWaalsContact CB-CG1 3.4Å; P630-V808 HydrophobicContact CG-CG1 4.33Å | ||
| 631 | E | 70.4 | Confident | 79.6 | Confident | 104 Ų | 104 | 52 Ų | 52 | 49% | 0.486 | 25% | 0.248 | S | C | . | . | trans | -63.4 | 103.5 | 173.7 | -105.6 | 169.2 | 139.1 | 0 | 0 | 110 | A809 R814 | E631-A809 PolarHBondContact O-N 2.95Å; E631-R814 IonicContact OE2-CZ 3.24Å; E631-R814 IonicContact OE2-NE 3.52Å; E631-R814 PolarHBondContact OE2-NE 3.5Å; E631-R814 IonicContact OE2-NH2 2.67Å; E631-R814 PolarHBondContact OE2-NH2 2.86Å | ||
| 632 | L | 70.2 | Confident | 79.6 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -76.7 | 132.6 | 170.9 | -61.3 | 179.6 | 0 | 0 | 0 | 107.9 | L492 P630 D634 M666 L669 V808 | L492-L632 HydrophobicContact CD1-CD1 4.5Å; L492-L632 HydrophobicContact CD1-CD2 3.66Å; P630-L632 PolarHBondContact O-N 3.44Å; L632-D634 PolarHBondContact O-N 3.48Å; L632-M666 HydrophobicContact CB-CE 3.95Å; L632-M666 HydrophobicContact CB-SD 3.6Å; L632-M666 HydrophobicContact CD1-CE 4.35Å; L632-M666 HydrophobicContact CD1-SD 3.68Å; L632-M666 HydrophobicContact CG-SD 4.28Å; L632-L669 HydrophobicContact CB-CD1 3.98Å; L632-L669 HydrophobicContact CD1-CD1 3.96Å; L632-L669 HydrophobicContact CD2-CD1 4.18Å; L632-L669 HydrophobicContact CG-CD1 4.24Å; L632-V808 HydrophobicContact CD2-CG2 4.19Å |
| 633 | L | 63.9 | Low | 79.6 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | trans | -65.2 | 104.7 | 178.9 | -68 | -174.4 | 0 | 0 | 0 | 110.4 | D635 S806 A809 | L633-D635 VanDerWaalsContact C-N 3.28Å; L633-D635 PolarHBondContact O-N 3.02Å; L633-D635 VanDerWaalsContact O-N 3.15Å; L633-S806 WeakPolarHBondContact CD1-O 3.25Å; L633-S806 WeakPolarHBondContact CD1-OG 3.43Å; L633-A809 HydrophobicContact CD2-CB 4.37Å | ||
| 634 | D | 64.4 | Low | 79.5 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -86.6 | 64.2 | 174.8 | -172.4 | 19.9 | 0 | 0 | 0 | 111 | L632 K636 | L632-D634 PolarHBondContact O-N 3.48Å; D634-K636 VanDerWaalsContact CG-CE 3.46Å; D634-K636 PolarHBondContact O-N 3.13Å; D634-K636 WeakPolarHBondContact OD1-CE 3.4Å; D634-K636 WeakPolarHBondContact OD1-CG 3.44Å; D634-K636 WeakPolarHBondContact OD2-CE 3.48Å; D634-K636 IonicContact OD2-NZ 2.99Å | ||
| 635 | D | 66.5 | Low | 79.4 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | -83.1 | 96.5 | 170.4 | -107.6 | 3.6 | 0 | 0 | 0 | 108.9 | L633 K668 | L633-D635 VanDerWaalsContact C-N 3.28Å; L633-D635 PolarHBondContact O-N 3.02Å; L633-D635 VanDerWaalsContact O-N 3.15Å; D635-K668 HydrophobicContact CB-CD 3.58Å; D635-K668 VanDerWaalsContact CB-CE 3.43Å; D635-K668 VanDerWaalsContact CB-NZ 3.27Å; D635-K668 IonicContact OD2-NZ 2.76Å; D635-K668 PolarHBondContact OD2-NZ 2.87Å | ||
| 636 | K | 70.7 | Confident | 79.4 | Confident | 145 Ų | 145 | 58.7 Ų | 58.7 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | trans | -70.1 | 131.8 | 179.6 | -61.4 | -175.5 | -175 | -178.9 | 0 | 110.2 | D634 | D634-K636 VanDerWaalsContact CG-CE 3.46Å; D634-K636 PolarHBondContact O-N 3.13Å; D634-K636 WeakPolarHBondContact OD1-CE 3.4Å; D634-K636 WeakPolarHBondContact OD1-CG 3.44Å; D634-K636 WeakPolarHBondContact OD2-CE 3.48Å; D634-K636 IonicContact OD2-NZ 2.99Å | ||
| 637 | F | 84.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | trans | -126.8 | 154.8 | 166.5 | 79.2 | -91 | 0 | 0 | 0 | 108.8 | I639 H667 K668 P689 L690 L713 | F637-I639 HydrophobicContact CE2-CG1 4.02Å; F637-I639 HydrophobicContact CZ-CG1 4.21Å; F637-I639 PolarHBondContact O-N 2.84Å; F637-H667 HydrophobicContact CD1-CB 4.05Å; F637-H667 HydrophobicContact CE1-CB 3.35Å; F637-H667 HydrophobicContact CZ-CB 3.91Å; F637-K668 HydrophobicContact CD1-CG 4.24Å; F637-P689 HydrophobicContact CE1-CB 4.43Å; F637-P689 HydrophobicContact CZ-CB 3.98Å; F637-L690 HydrophobicContact CB-CD1 4.39Å; F637-L690 HydrophobicContact CD1-CD1 4.31Å; F637-L690 HydrophobicContact CD2-CD1 3.81Å; F637-L690 HydrophobicContact CE1-CB 4.17Å; F637-L690 HydrophobicContact CE2-CD1 4.14Å; F637-L690 HydrophobicContact CG-CD1 3.92Å; F637-L690 HydrophobicContact CZ-CB 4.23Å; F637-L713 WeakPolarHBondContact CA-O 3.3Å; F637-L713 WeakPolarHBondContact CB-O 3.46Å | ||
| 638 | K | 85.1 | Confident | 80.1 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | trans | -80.7 | 115 | -178.7 | -173.5 | 172 | -170.5 | 166.2 | 0 | 110.8 | L713 E714 | K638-L713 PolarHBondContact N-O 2.86Å; K638-L713 WeakPolarHBondContact O-CD2 3.28Å; K638-E714 HydrophobicContact CB-CB 4.28Å; K638-E714 HydrophobicContact CB-CG 4.24Å; K638-E714 HydrophobicContact CD-CG 4.31Å; K638-E714 VanDerWaalsContact CD-OE1 3.29Å; K638-E714 WeakPolarHBondContact CD-OE1 3.36Å; K638-E714 IonicContact NZ-OE1 2.67Å; K638-E714 PolarHBondContact NZ-OE1 2.91Å; K638-E714 VanDerWaalsContact NZ-OE1 3.13Å | ||
| 639 | I | 85.3 | Confident | 80.2 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | trans | -68.8 | 138.6 | 172.6 | -61.6 | -166.8 | 0 | 0 | 0 | 110.2 | F637 F643 F647 H667 | F637-I639 HydrophobicContact CE2-CG1 4.02Å; F637-I639 HydrophobicContact CZ-CG1 4.21Å; F637-I639 PolarHBondContact O-N 2.84Å; I639-F643 HydrophobicContact CG2-CB 3.65Å; I639-F643 HydrophobicContact CG2-CD2 3.89Å; I639-F643 HydrophobicContact CG2-CG 4.28Å; I639-F647 HydrophobicContact CD1-CD2 4.18Å; I639-F647 HydrophobicContact CD1-CE2 3.7Å; I639-F647 HydrophobicContact CD1-CZ 4.03Å; I639-F647 HydrophobicContact CG2-CE2 4.2Å; I639-H667 HydrophobicContact CD1-CB 4.35Å; I639-H667 WeakPolarHBondContact CD1-CE1 3.33Å; I639-H667 VanDerWaalsContact CD1-ND1 3.31Å; I639-H667 WeakPolarHBondContact CD1-ND1 3.27Å; I639-H667 VanDerWaalsContact CD1-NE2 3.34Å; I639-H667 WeakPolarHBondContact CD1-NE2 3.32Å | ||
| 640 | P | 86.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | trans | -50.2 | 141.7 | 170.4 | -27.8 | 34.7 | 0 | 0 | 0 | 113.1 | D642 F643 S693 L713 | P640-D642 PolarHBondContact O-N 3.39Å; P640-D642 VanDerWaalsContact O-N 3.12Å; P640-F643 HydrophobicContact CB-CD2 4.1Å; P640-F643 HydrophobicContact CB-CE2 4.27Å; P640-F643 HydrophobicContact CG-CD2 4.05Å; P640-F643 HydrophobicContact CG-CE2 3.98Å; P640-F643 PolarHBondContact O-N 3.12Å; P640-F643 VanDerWaalsContact O-N 3.08Å; P640-S693 WeakPolarHBondContact CD-OG 3.5Å; P640-L713 HydrophobicContact CG-CD2 4.47Å | ||
| 641 | E | 83.8 | Confident | 80.6 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -59.2 | -31.2 | -173.1 | -52.1 | -146.2 | 132.7 | 0 | 0 | 113.3 | F643 R644 P645 | E641-F643 PolarHBondContact O-N 3.13Å; E641-R644 PolarHBondContact O-N 3.14Å; E641-R644 IonicContact OE1-CZ 3.57Å; E641-R644 IonicContact OE1-NH1 2.85Å; E641-R644 PolarHBondContact OE1-NH1 3.24Å; E641-R644 IonicContact OE1-NH2 2.79Å; E641-R644 PolarHBondContact OE1-NH2 3.27Å; E641-P645 WeakPolarHBondContact O-CD 3.36Å |
| 642 | D | 83.7 | Confident | 81.4 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -68.2 | -21.7 | -177.7 | -44.6 | -36.9 | 0 | 0 | 0 | 112.9 | I615 P640 H696 K700 | I615-D642 HydrophobicContact CD1-CB 3.6Å; I615-D642 HydrophobicContact CG1-CB 4.23Å; P640-D642 PolarHBondContact O-N 3.39Å; P640-D642 VanDerWaalsContact O-N 3.12Å; D642-H696 IonicContact OD2-CD2 2.8Å; D642-H696 IonicContact OD2-CE1 3.47Å; D642-H696 IonicContact OD2-NE2 3.53Å; D642-H696 PolarHBondContact OD2-NE2 3.28Å; D642-K700 VanDerWaalsContact CG-NZ 3.35Å; D642-K700 IonicContact OD1-NZ 2.71Å; D642-K700 PolarHBondContact OD1-NZ 2.89Å; D642-K700 WeakPolarHBondContact OD2-CE 3.28Å; D642-K700 IonicContact OD2-NZ 3.94Å; D642-K700 PolarHBondContact OD2-NZ 3.33Å |
| 643 | F | 86.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 55 Ų | 55 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -91.4 | -20.6 | 178.5 | -54.8 | -28.8 | 0 | 0 | 0 | 112.7 | M598 I615 F617 I639 P640 E641 P645 V646 F647 V692 H696 | M598-F643 HydrophobicContact CE-CD1 3.63Å; M598-F643 HydrophobicContact CE-CE1 3.29Å; M598-F643 HydrophobicContact CE-CZ 3.97Å; I615-F643 HydrophobicContact CD1-CD1 4.15Å; I615-F643 HydrophobicContact CD1-CE1 3.77Å; I615-F643 HydrophobicContact CG2-CE1 4.41Å; F617-F643 HydrophobicContact CE1-CD1 4.17Å; I639-F643 HydrophobicContact CG2-CB 3.65Å; I639-F643 HydrophobicContact CG2-CD2 3.89Å; I639-F643 HydrophobicContact CG2-CG 4.28Å; P640-F643 HydrophobicContact CB-CD2 4.1Å; P640-F643 HydrophobicContact CB-CE2 4.27Å; P640-F643 HydrophobicContact CG-CD2 4.05Å; P640-F643 HydrophobicContact CG-CE2 3.98Å; P640-F643 PolarHBondContact O-N 3.12Å; P640-F643 VanDerWaalsContact O-N 3.08Å; E641-F643 PolarHBondContact O-N 3.13Å; F643-P645 VanDerWaalsContact C-CD 3.42Å; F643-V646 PolarHBondContact O-N 3.14Å; F643-F647 HydrophobicContact CB-CD2 4.47Å; F643-F647 HydrophobicContact CB-CE2 4.06Å; F643-F647 VanDerWaalsContact O-CD2 3.23Å; F643-F647 WeakPolarHBondContact O-CD2 3.48Å; F643-V692 HydrophobicContact CE2-CG1 4.28Å; F643-V692 HydrophobicContact CZ-CG1 4.29Å; F643-H696 HydrophobicContact CE2-CB 4.14Å; F643-H696 HydrophobicContact CZ-CB 3.71Å; F643-H696 AromaticContact CZ-CD2 3.74Å; F643-H696 AromaticContact CZ-CG 3.45Å; F643-H696 VanDerWaalsContact CZ-CG 3.45Å; F643-H696 AromaticContact CZ-ND1 3.79Å |
| 644 | R | 85.9 | Confident | 83.1 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.8 | -42.1 | -178.2 | -66.1 | -172.7 | -168.9 | 139.7 | 10 | 113.9 | E641 V646 F647 E648 | E641-R644 PolarHBondContact O-N 3.14Å; E641-R644 IonicContact OE1-CZ 3.57Å; E641-R644 IonicContact OE1-NH1 2.85Å; E641-R644 PolarHBondContact OE1-NH1 3.24Å; E641-R644 IonicContact OE1-NH2 2.79Å; E641-R644 PolarHBondContact OE1-NH2 3.27Å; R644-V646 PolarHBondContact O-N 3.12Å; R644-V646 VanDerWaalsContact O-N 3.16Å; R644-F647 PolarHBondContact O-N 3.29Å; R644-F647 VanDerWaalsContact O-N 3.1Å; R644-E648 WeakPolarHBondContact O-CG 3.28Å; R644-E648 PolarHBondContact O-N 2.88Å |
| 645 | P | 86.9 | Confident | 84.1 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.6 | -33.3 | -179.3 | -26.4 | 35.2 | 0 | 0 | 0 | 113.6 | E641 F643 H649 | E641-P645 WeakPolarHBondContact O-CD 3.36Å; F643-P645 VanDerWaalsContact C-CD 3.42Å; P645-H649 VanDerWaalsContact O-CB 3.25Å; P645-H649 WeakPolarHBondContact O-CB 3.25Å; P645-H649 PolarHBondContact O-N 3.35Å |
| 646 | V | 85.5 | Confident | 85 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | I615 F617 L619 F643 R644 H649 Y650 | I615-V646 WeakPolarHBondContact O-CG2 3.48Å; F617-V646 HydrophobicContact CD1-CG1 4.43Å; F617-V646 HydrophobicContact CD1-CG2 3.99Å; F617-V646 HydrophobicContact CD2-CG1 4.18Å; F617-V646 HydrophobicContact CE1-CB 3.97Å; F617-V646 HydrophobicContact CE1-CG1 4.11Å; F617-V646 HydrophobicContact CE1-CG2 3.65Å; F617-V646 HydrophobicContact CE2-CB 4.45Å; F617-V646 HydrophobicContact CE2-CG1 3.84Å; F617-V646 HydrophobicContact CG-CG1 4.49Å; F617-V646 HydrophobicContact CZ-CB 3.91Å; F617-V646 HydrophobicContact CZ-CG1 3.82Å; F617-V646 HydrophobicContact CZ-CG2 4.13Å; L619-V646 HydrophobicContact CB-CG1 4.05Å; L619-V646 HydrophobicContact CD2-CG1 4.26Å; F643-V646 PolarHBondContact O-N 3.14Å; R644-V646 PolarHBondContact O-N 3.12Å; R644-V646 VanDerWaalsContact O-N 3.16Å; V646-H649 PolarHBondContact O-N 2.91Å; V646-Y650 PolarHBondContact O-N 3.42Å; V646-Y650 VanDerWaalsContact O-N 3.08Å |
| 647 | F | 87.4 | Confident | 85.6 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 176.2 | -67.2 | -72.3 | 0 | 0 | 0 | 112.1 | T594 F617 L619 I639 F643 R644 H649 Y650 E651 W665 | T594-F647 HydrophobicContact CG2-CD1 4.2Å; T594-F647 HydrophobicContact CG2-CE1 3.44Å; T594-F647 VanDerWaalsContact CG2-CE1 3.44Å; T594-F647 HydrophobicContact CG2-CZ 4.32Å; F617-F647 HydrophobicContact CZ-CE2 4.4Å; L619-F647 HydrophobicContact CD1-CE1 3.86Å; L619-F647 HydrophobicContact CD2-CD1 3.63Å; L619-F647 HydrophobicContact CD2-CE1 3.8Å; L619-F647 HydrophobicContact CD2-CG 4.43Å; I639-F647 HydrophobicContact CD1-CD2 4.18Å; I639-F647 HydrophobicContact CD1-CE2 3.7Å; I639-F647 HydrophobicContact CD1-CZ 4.03Å; I639-F647 HydrophobicContact CG2-CE2 4.2Å; F643-F647 HydrophobicContact CB-CD2 4.47Å; F643-F647 HydrophobicContact CB-CE2 4.06Å; F643-F647 VanDerWaalsContact O-CD2 3.23Å; F643-F647 WeakPolarHBondContact O-CD2 3.48Å; R644-F647 PolarHBondContact O-N 3.29Å; R644-F647 VanDerWaalsContact O-N 3.1Å; F647-H649 VanDerWaalsContact C-N 3.33Å; F647-H649 PolarHBondContact O-N 3.05Å; F647-Y650 PolarHBondContact O-N 3.31Å; F647-E651 PolarHBondContact O-N 3.23Å; F647-W665 HydrophobicContact CB-CZ2 4.35Å; F647-W665 HydrophobicContact CD1-CD2 4.22Å; F647-W665 HydrophobicContact CD1-CE3 4.33Å; F647-W665 HydrophobicContact CD1-CH2 4.04Å; F647-W665 AromaticContact CD1-CZ2 3.93Å; F647-W665 HydrophobicContact CD1-CZ2 3.93Å; F647-W665 HydrophobicContact CD1-CZ3 4.25Å |
| 648 | E | 86.8 | Confident | 85.4 | Confident | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.2 | -72.2 | 174.1 | -168.2 | 0 | 0 | 111.5 | R644 E651 Q652 | R644-E648 WeakPolarHBondContact O-CG 3.28Å; R644-E648 PolarHBondContact O-N 2.88Å; E648-E651 PolarHBondContact O-N 3.19Å; E648-Q652 VanDerWaalsContact O-CG 3.27Å; E648-Q652 WeakPolarHBondContact O-CG 3.37Å; E648-Q652 PolarHBondContact O-N 3.49Å |
| 649 | H | 85.5 | Confident | 84.8 | Confident | 76 Ų | 76 | 56 Ų | 56 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.3 | -173.8 | 60.1 | 0 | 0 | 0 | 111.9 | P645 V646 F647 E651 Q652 C653 | P645-H649 VanDerWaalsContact O-CB 3.25Å; P645-H649 WeakPolarHBondContact O-CB 3.25Å; P645-H649 PolarHBondContact O-N 3.35Å; V646-H649 PolarHBondContact O-N 2.91Å; F647-H649 VanDerWaalsContact C-N 3.33Å; F647-H649 PolarHBondContact O-N 3.05Å; H649-E651 VanDerWaalsContact C-N 3.34Å; H649-E651 PolarHBondContact O-N 3.37Å; H649-Q652 PolarHBondContact O-N 3.02Å; H649-C653 PolarHBondContact O-N 3.42Å |
| 650 | Y | 87.4 | Confident | 84.3 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.8 | -169.9 | -78.2 | 0 | 0 | 0 | 111.2 | V538 L619 A621 V646 F647 Q652 C653 F654 L663 W665 | V538-Y650 HydrophobicContact CB-CE2 4.07Å; V538-Y650 HydrophobicContact CG1-CD2 3.65Å; V538-Y650 HydrophobicContact CG1-CE2 3.53Å; V538-Y650 HydrophobicContact CG1-CG 4.33Å; V538-Y650 HydrophobicContact CG2-CE2 4.4Å; L619-Y650 HydrophobicContact CD2-CD2 4.04Å; L619-Y650 HydrophobicContact CD2-CG 4.04Å; L619-Y650 HydrophobicContact CG-CD2 4.18Å; A621-Y650 HydrophobicContact CB-CE1 3.89Å; A621-Y650 HydrophobicContact CB-CE2 4.27Å; V646-Y650 PolarHBondContact O-N 3.42Å; V646-Y650 VanDerWaalsContact O-N 3.08Å; F647-Y650 PolarHBondContact O-N 3.31Å; Y650-Q652 PolarHBondContact O-N 3.35Å; Y650-C653 PolarHBondContact O-N 2.78Å; Y650-F654 WeakPolarHBondContact O-CB 3.48Å; Y650-F654 PolarHBondContact O-N 2.8Å; Y650-L663 HydrophobicContact CD1-CD1 4.09Å; Y650-L663 HydrophobicContact CE1-CD1 4.17Å; Y650-W665 AromaticContact CD1-CH2 3.62Å; Y650-W665 HydrophobicContact CD1-CH2 3.62Å; Y650-W665 AromaticContact CD1-CZ2 3.95Å; Y650-W665 HydrophobicContact CD1-CZ2 3.95Å; Y650-W665 HydrophobicContact CE1-CH2 4.15Å; Y650-W665 HydrophobicContact CG-CH2 4.07Å; Y650-W665 HydrophobicContact CG-CZ2 4.43Å |
| 651 | E | 86.6 | Confident | 84 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 178.3 | -174 | 174.2 | -172.9 | 0 | 0 | 111.9 | F647 E648 H649 F654 Q655 | F647-E651 PolarHBondContact O-N 3.23Å; E648-E651 PolarHBondContact O-N 3.19Å; H649-E651 VanDerWaalsContact C-N 3.34Å; H649-E651 PolarHBondContact O-N 3.37Å; E651-F654 PolarHBondContact O-N 2.89Å; E651-Q655 HydrophobicContact CG-CG 4.3Å; E651-Q655 WeakPolarHBondContact O-CB 3.34Å; E651-Q655 VanDerWaalsContact O-CG 3.28Å; E651-Q655 WeakPolarHBondContact O-CG 3.49Å; E651-Q655 PolarHBondContact O-N 3.36Å; E651-Q655 PolarHBondContact OE1-NE2 2.87Å; E651-Q655 VanDerWaalsContact OE1-NE2 3.12Å |
| 652 | Q | 85.6 | Confident | 83.8 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.5 | -72.6 | 172.5 | 23.9 | 0 | 0 | 112.1 | E648 H649 Y650 F654 Q655 R656 | E648-Q652 VanDerWaalsContact O-CG 3.27Å; E648-Q652 WeakPolarHBondContact O-CG 3.37Å; E648-Q652 PolarHBondContact O-N 3.49Å; H649-Q652 PolarHBondContact O-N 3.02Å; Y650-Q652 PolarHBondContact O-N 3.35Å; Q652-F654 VanDerWaalsContact C-N 3.32Å; Q652-F654 PolarHBondContact O-N 3.19Å; Q652-Q655 PolarHBondContact O-N 3.39Å; Q652-R656 VanDerWaalsContact O-CG 3.31Å; Q652-R656 WeakPolarHBondContact O-CG 3.08Å; Q652-R656 PolarHBondContact O-N 2.89Å; Q652-R656 VanDerWaalsContact O-N 3.08Å |
| 653 | C | 85.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.6 | -76.1 | 0 | 0 | 0 | 0 | 111.1 | V538 H649 Y650 R656 L657 | V538-C653 HydrophobicContact CG1-CB 4.06Å; H649-C653 PolarHBondContact O-N 3.42Å; Y650-C653 PolarHBondContact O-N 2.78Å; C653-R656 PolarHBondContact O-N 3.48Å; C653-L657 WeakPolarHBondContact O-CD1 3.21Å; C653-L657 PolarHBondContact O-N 3.03Å; C653-L657 VanDerWaalsContact O-N 3.08Å |
| 654 | F | 85.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 177.6 | 179 | -95.6 | 0 | 0 | 0 | 112.7 | I534 I590 I623 Y650 E651 Q652 R656 L657 K658 R661 L663 | I534-F654 HydrophobicContact CD1-CE2 4.41Å; I534-F654 HydrophobicContact CG2-CD2 3.93Å; I534-F654 HydrophobicContact CG2-CE2 4.09Å; I590-F654 HydrophobicContact CD1-CZ 4.36Å; I623-F654 HydrophobicContact CD1-CD2 3.55Å; I623-F654 HydrophobicContact CD1-CE2 3.3Å; I623-F654 HydrophobicContact CD1-CZ 4.26Å; I623-F654 HydrophobicContact CG2-CE2 4.33Å; I623-F654 HydrophobicContact CG2-CZ 4.48Å; Y650-F654 WeakPolarHBondContact O-CB 3.48Å; Y650-F654 PolarHBondContact O-N 2.8Å; E651-F654 PolarHBondContact O-N 2.89Å; Q652-F654 VanDerWaalsContact C-N 3.32Å; Q652-F654 PolarHBondContact O-N 3.19Å; F654-R656 VanDerWaalsContact C-N 3.29Å; F654-R656 PolarHBondContact O-N 3.33Å; F654-L657 PolarHBondContact O-N 3.49Å; F654-L657 VanDerWaalsContact O-N 3.11Å; F654-K658 HydrophobicContact CE1-CB 4.28Å; F654-K658 HydrophobicContact CE2-CB 4.17Å; F654-K658 HydrophobicContact CE2-CG 4.1Å; F654-K658 HydrophobicContact CZ-CB 3.97Å; F654-K658 HydrophobicContact CZ-CG 4.26Å; F654-K658 PolarHBondContact O-N 3.1Å; F654-R661 HydrophobicContact CE1-CB 4.06Å; F654-L663 HydrophobicContact CB-CD1 3.95Å; F654-L663 HydrophobicContact CD1-CD1 3.81Å; F654-L663 HydrophobicContact CD1-CD2 3.48Å; F654-L663 VanDerWaalsContact CD1-CD2 3.48Å; F654-L663 HydrophobicContact CD1-CG 3.56Å; F654-L663 HydrophobicContact CD2-CD2 4.45Å; F654-L663 HydrophobicContact CE1-CD1 4.49Å; F654-L663 HydrophobicContact CE1-CD2 3.29Å; F654-L663 HydrophobicContact CE1-CG 3.89Å; F654-L663 HydrophobicContact CE2-CD2 4.31Å; F654-L663 HydrophobicContact CG-CD1 3.83Å; F654-L663 HydrophobicContact CG-CD2 4.07Å; F654-L663 HydrophobicContact CG-CG 4.11Å; F654-L663 HydrophobicContact CZ-CD2 3.74Å |
| 655 | Q | 86.2 | Confident | 83.6 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 178.6 | -76.2 | 178.6 | 5.9 | 0 | 0 | 111.6 | E651 Q652 G659 | E651-Q655 HydrophobicContact CG-CG 4.3Å; E651-Q655 WeakPolarHBondContact O-CB 3.34Å; E651-Q655 VanDerWaalsContact O-CG 3.28Å; E651-Q655 WeakPolarHBondContact O-CG 3.49Å; E651-Q655 PolarHBondContact O-N 3.36Å; E651-Q655 PolarHBondContact OE1-NE2 2.87Å; E651-Q655 VanDerWaalsContact OE1-NE2 3.12Å; Q652-Q655 PolarHBondContact O-N 3.39Å; Q655-G659 PolarHBondContact O-N 2.81Å |
| 656 | R | 84.5 | Confident | 83.4 | Confident | 178 Ų | 178 | 62.9 Ų | 62.9 | 67% | 0.672 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 173.9 | -71.4 | 174.8 | -168.6 | 175.1 | 5.2 | 112.3 | Q652 C653 F654 | Q652-R656 VanDerWaalsContact O-CG 3.31Å; Q652-R656 WeakPolarHBondContact O-CG 3.08Å; Q652-R656 PolarHBondContact O-N 2.89Å; Q652-R656 VanDerWaalsContact O-N 3.08Å; C653-R656 PolarHBondContact O-N 3.48Å; F654-R656 VanDerWaalsContact C-N 3.29Å; F654-R656 PolarHBondContact O-N 3.33Å |
| 657 | L | 83.8 | Confident | 83.2 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.6 | -40.4 | -179.8 | -87.4 | 154.6 | 0 | 0 | 0 | 113 | L537 V538 C653 F654 | L537-L657 HydrophobicContact CB-CD1 4.24Å; L537-L657 HydrophobicContact CB-CD2 4.16Å; L537-L657 HydrophobicContact CD1-CD2 4.26Å; V538-L657 HydrophobicContact CG2-CD1 3.68Å; C653-L657 WeakPolarHBondContact O-CD1 3.21Å; C653-L657 PolarHBondContact O-N 3.03Å; C653-L657 VanDerWaalsContact O-N 3.08Å; F654-L657 PolarHBondContact O-N 3.49Å; F654-L657 VanDerWaalsContact O-N 3.11Å |
| 658 | K | 79.9 | Confident | 82.6 | Confident | 84 Ų | 84 | 65 Ų | 65 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -118.2 | 1 | -165.1 | -86.1 | -74.5 | -177.9 | 179.5 | 0 | 116.8 | F654 | F654-K658 HydrophobicContact CE1-CB 4.28Å; F654-K658 HydrophobicContact CE2-CB 4.17Å; F654-K658 HydrophobicContact CE2-CG 4.1Å; F654-K658 HydrophobicContact CZ-CB 3.97Å; F654-K658 HydrophobicContact CZ-CG 4.26Å; F654-K658 PolarHBondContact O-N 3.1Å |
| 659 | G | 71.7 | Confident | 82.1 | Confident | 41 Ų | 41 | 61 Ų | 61 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 50.6 | 117.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q655 R661 | Q655-G659 PolarHBondContact O-N 2.81Å; G659-R661 VanDerWaalsContact C-N 3.33Å; G659-R661 PolarHBondContact O-N 3.4Å |
| 660 | N | 75.8 | Confident | 81.8 | Confident | 179 Ų | 179 | 57.6 Ų | 57.6 | 96% | 0.957 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 64.5 | 27.1 | 177.1 | -51.2 | -21.7 | 0 | 0 | 0 | 115.4 | ||
| 661 | R | 79.6 | Confident | 81.5 | Confident | 103 Ų | 103 | 59.9 Ų | 59.9 | 39% | 0.389 | 30% | 0.297 | S | S | . | . | trans | -127.1 | 131.5 | 176.8 | -70.2 | 168.5 | 176.4 | -136.2 | 2.3 | 110 | I590 F654 G659 | I590-R661 HydrophobicContact CD1-CB 4.15Å; I590-R661 HydrophobicContact CD1-CG 4.03Å; F654-R661 HydrophobicContact CE1-CB 4.06Å; G659-R661 VanDerWaalsContact C-N 3.33Å; G659-R661 PolarHBondContact O-N 3.4Å | ||
| 662 | T | 79.1 | Confident | 81.4 | Confident | 90 Ų | 90 | 58 Ų | 58 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | trans | -106.3 | 148.4 | 175.4 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 663 | L | 84.2 | Confident | 81.5 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.5 | -179.9 | -64.1 | -177.1 | 0 | 0 | 0 | 110.8 | I590 C592 Y650 F654 W665 | I590-L663 HydrophobicContact CG2-CD2 4.21Å; C592-L663 WeakPolarHBondContact SG-CD2 3.5Å; Y650-L663 HydrophobicContact CD1-CD1 4.09Å; Y650-L663 HydrophobicContact CE1-CD1 4.17Å; F654-L663 HydrophobicContact CB-CD1 3.95Å; F654-L663 HydrophobicContact CD1-CD1 3.81Å; F654-L663 HydrophobicContact CD1-CD2 3.48Å; F654-L663 VanDerWaalsContact CD1-CD2 3.48Å; F654-L663 HydrophobicContact CD1-CG 3.56Å; F654-L663 HydrophobicContact CD2-CD2 4.45Å; F654-L663 HydrophobicContact CE1-CD1 4.49Å; F654-L663 HydrophobicContact CE1-CD2 3.29Å; F654-L663 HydrophobicContact CE1-CG 3.89Å; F654-L663 HydrophobicContact CE2-CD2 4.31Å; F654-L663 HydrophobicContact CG-CD1 3.83Å; F654-L663 HydrophobicContact CG-CD2 4.07Å; F654-L663 HydrophobicContact CG-CG 4.11Å; F654-L663 HydrophobicContact CZ-CD2 3.74Å; L663-W665 HydrophobicContact CD1-CZ2 4.23Å |
| 664 | V | 83 | Confident | 81.6 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.6 | 167.8 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | I590 V591 C592 | I590-V664 PolarHBondContact O-N 3.29Å; V591-V664 WeakPolarHBondContact CA-O 2.95Å; C592-V664 PolarHBondContact N-O 3.19Å |
| 665 | W | 84.4 | Confident | 81.7 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 132.2 | -177.7 | -64.4 | 103.2 | 0 | 0 | 0 | 112.5 | C592 T594 L619 A621 F647 Y650 L663 H667 | C592-W665 HydrophobicContact CB-CD2 4.21Å; C592-W665 HydrophobicContact CB-CE3 3.54Å; C592-W665 HydrophobicContact CB-CH2 4.5Å; C592-W665 HydrophobicContact CB-CZ3 3.7Å; T594-W665 HydrophobicContact CG2-CD2 4.31Å; T594-W665 HydrophobicContact CG2-CE3 3.26Å; T594-W665 HydrophobicContact CG2-CH2 4.41Å; T594-W665 HydrophobicContact CG2-CZ3 3.33Å; L619-W665 HydrophobicContact CD2-CH2 3.99Å; A621-W665 HydrophobicContact CB-CH2 4.2Å; A621-W665 HydrophobicContact CB-CZ3 3.89Å; F647-W665 HydrophobicContact CB-CZ2 4.35Å; F647-W665 HydrophobicContact CD1-CD2 4.22Å; F647-W665 HydrophobicContact CD1-CE3 4.33Å; F647-W665 HydrophobicContact CD1-CH2 4.04Å; F647-W665 AromaticContact CD1-CZ2 3.93Å; F647-W665 HydrophobicContact CD1-CZ2 3.93Å; F647-W665 HydrophobicContact CD1-CZ3 4.25Å; Y650-W665 AromaticContact CD1-CH2 3.62Å; Y650-W665 HydrophobicContact CD1-CH2 3.62Å; Y650-W665 AromaticContact CD1-CZ2 3.95Å; Y650-W665 HydrophobicContact CD1-CZ2 3.95Å; Y650-W665 HydrophobicContact CE1-CH2 4.15Å; Y650-W665 HydrophobicContact CG-CH2 4.07Å; Y650-W665 HydrophobicContact CG-CZ2 4.43Å; L663-W665 HydrophobicContact CD1-CZ2 4.23Å; W665-H667 WeakPolarHBondContact CB-CE1 3.27Å; W665-H667 AromaticContact CG-CE1 3.65Å |
| 666 | M | 83 | Confident | 81.7 | Confident | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -107.3 | 82.7 | 172.1 | -73.3 | -174 | -179.3 | 0 | 0 | 110.6 | V591 C592 L632 K668 L669 | V591-M666 HydrophobicContact CB-CE 4.24Å; V591-M666 HydrophobicContact CG1-CB 4.49Å; V591-M666 HydrophobicContact CG1-CE 3.37Å; V591-M666 HydrophobicContact CG1-CG 3.72Å; V591-M666 HydrophobicContact CG1-SD 3.27Å; V591-M666 WeakPolarHBondContact CG1-SD 3.47Å; V591-M666 HydrophobicContact CG2-CE 3.78Å; C592-M666 PolarHBondContact O-N 3.05Å; L632-M666 HydrophobicContact CB-CE 3.95Å; L632-M666 HydrophobicContact CB-SD 3.6Å; L632-M666 HydrophobicContact CD1-CE 4.35Å; L632-M666 HydrophobicContact CD1-SD 3.68Å; L632-M666 HydrophobicContact CG-SD 4.28Å; M666-K668 PolarHBondContact O-N 3.43Å; M666-L669 HydrophobicContact CB-CD1 4.26Å; M666-L669 PolarHBondContact O-N 3.33Å; M666-L669 HydrophobicContact SD-CD1 3.99Å | ||
| 667 | H | 81.2 | Confident | 81.7 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -68 | -29.3 | -169 | -58.7 | -53.5 | 0 | 0 | 0 | 114.6 | F637 I639 W665 L669 G670 P689 | F637-H667 HydrophobicContact CD1-CB 4.05Å; F637-H667 HydrophobicContact CE1-CB 3.35Å; F637-H667 HydrophobicContact CZ-CB 3.91Å; I639-H667 HydrophobicContact CD1-CB 4.35Å; I639-H667 WeakPolarHBondContact CD1-CE1 3.33Å; I639-H667 VanDerWaalsContact CD1-ND1 3.31Å; I639-H667 WeakPolarHBondContact CD1-ND1 3.27Å; I639-H667 VanDerWaalsContact CD1-NE2 3.34Å; I639-H667 WeakPolarHBondContact CD1-NE2 3.32Å; W665-H667 WeakPolarHBondContact CB-CE1 3.27Å; W665-H667 AromaticContact CG-CE1 3.65Å; H667-L669 VanDerWaalsContact C-N 3.27Å; H667-L669 PolarHBondContact O-N 3.3Å; H667-G670 PolarHBondContact O-N 2.91Å; H667-P689 WeakPolarHBondContact O-CB 3.07Å; H667-P689 WeakPolarHBondContact O-CD 3.26Å; H667-P689 WeakPolarHBondContact O-CG 3.29Å |
| 668 | K | 75.2 | Confident | 81.6 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -67.6 | -26.2 | 179 | -79.3 | -163.5 | 178.2 | -179.2 | 0 | 113.9 | D635 F637 M666 G670 | D635-K668 HydrophobicContact CB-CD 3.58Å; D635-K668 VanDerWaalsContact CB-CE 3.43Å; D635-K668 VanDerWaalsContact CB-NZ 3.27Å; D635-K668 IonicContact OD2-NZ 2.76Å; D635-K668 PolarHBondContact OD2-NZ 2.87Å; F637-K668 HydrophobicContact CD1-CG 4.24Å; M666-K668 PolarHBondContact O-N 3.43Å; K668-G670 VanDerWaalsContact C-N 3.28Å |
| 669 | L | 76.6 | Confident | 81.6 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -84.3 | -4.6 | -179.8 | -61.7 | -179.8 | 0 | 0 | 0 | 113 | V593 L632 M666 H667 L807 | V593-L669 HydrophobicContact CG1-CB 3.74Å; V593-L669 WeakPolarHBondContact CG1-O 3.42Å; V593-L669 HydrophobicContact CG2-CB 4.14Å; V593-L669 HydrophobicContact CG2-CD1 4.24Å; L632-L669 HydrophobicContact CB-CD1 3.98Å; L632-L669 HydrophobicContact CD1-CD1 3.96Å; L632-L669 HydrophobicContact CD2-CD1 4.18Å; L632-L669 HydrophobicContact CG-CD1 4.24Å; M666-L669 HydrophobicContact CB-CD1 4.26Å; M666-L669 PolarHBondContact O-N 3.33Å; M666-L669 HydrophobicContact SD-CD1 3.99Å; H667-L669 VanDerWaalsContact C-N 3.27Å; H667-L669 PolarHBondContact O-N 3.3Å; L669-L807 HydrophobicContact CD2-CB 4.25Å; L669-L807 HydrophobicContact CD2-CD2 3.44Å; L669-L807 VanDerWaalsContact CD2-CD2 3.44Å; L669-L807 HydrophobicContact CD2-CG 4.42Å |
| 670 | G | 78.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | trans | -72.2 | 161.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T594 H667 K668 P689 | T594-G670 CarbonylContact O-C 3.54Å; T594-G670 WeakPolarHBondContact O-CA 3.46Å; H667-G670 PolarHBondContact O-N 2.91Å; K668-G670 VanDerWaalsContact C-N 3.28Å; G670-P689 VanDerWaalsContact C-CD 3.4Å; G670-P689 WeakPolarHBondContact O-CD 3.3Å | ||
| 671 | L | 81.8 | Confident | 81.7 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.9 | 173.8 | -81.4 | 146.2 | 0 | 0 | 0 | 108.4 | T594 G595 A596 M797 | T594-L671 PolarHBondContact O-N 3.45Å; G595-L671 VanDerWaalsContact CA-O 3.27Å; G595-L671 WeakPolarHBondContact CA-O 3.44Å; A596-L671 PolarHBondContact N-O 3.45Å; A596-L671 VanDerWaalsContact N-O 3.13Å; L671-M797 HydrophobicContact CD2-CE 4.18Å |
| 672 | V | 84.1 | Confident | 81.9 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.8 | -178.8 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | A596 I674 D686 V687 P689 V692 | A596-V672 HydrophobicContact CB-CG1 3.96Å; A596-V672 HydrophobicContact CB-CG2 4.19Å; A596-V672 CarbonylContact O-C 3.48Å; A596-V672 VanDerWaalsContact O-CA 3.26Å; A596-V672 WeakPolarHBondContact O-CA 3.14Å; A596-V672 WeakPolarHBondContact O-CG1 3.29Å; V672-I674 HydrophobicContact CG1-CG2 3.75Å; V672-D686 CarbonylContact O-C 3.58Å; V672-D686 WeakPolarHBondContact O-CA 3.47Å; V672-V687 HydrophobicContact CB-CG2 4.47Å; V672-V687 PolarHBondContact N-O 3.05Å; V672-V687 VanDerWaalsContact O-CG2 3.32Å; V672-V687 WeakPolarHBondContact O-CG2 3.14Å; V672-V687 PolarHBondContact O-N 3.49Å; V672-P689 HydrophobicContact CG2-CB 4.33Å; V672-P689 HydrophobicContact CG2-CG 3.74Å; V672-V692 HydrophobicContact CB-CG2 3.65Å; V672-V692 HydrophobicContact CG1-CG2 3.76Å; V672-V692 HydrophobicContact CG2-CG2 4.1Å |
| 673 | N | 87.2 | Confident | 82.2 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.2 | 170.3 | -172 | -80 | 0 | 0 | 0 | 108.5 | A596 T597 M598 D686 | A596-N673 PolarHBondContact O-N 2.78Å; T597-N673 HydrophobicContact CG2-CB 3.99Å; M598-N673 PolarHBondContact N-O 2.94Å; N673-D686 WeakPolarHBondContact CB-OD1 3.3Å; N673-D686 PolarHBondContact ND2-OD1 3.11Å |
| 674 | I | 88 | Confident | 82.3 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.2 | 177.2 | 69.3 | 173.9 | 0 | 0 | 0 | 111.3 | M598 V672 L676 I685 V687 V692 | M598-I674 HydrophobicContact CB-CG2 4.27Å; V672-I674 HydrophobicContact CG1-CG2 3.75Å; I674-L676 HydrophobicContact CD1-CD1 4.11Å; I674-L676 HydrophobicContact CD1-CD2 3.63Å; I674-L676 HydrophobicContact CD1-CG 3.75Å; I674-L676 HydrophobicContact CG1-CD2 4.33Å; I674-L676 HydrophobicContact CG1-CG 4.12Å; I674-I685 HydrophobicContact CD1-CD1 4.18Å; I674-I685 HydrophobicContact CD1-CG1 4.17Å; I674-I685 HydrophobicContact CG1-CD1 4.18Å; I674-I685 HydrophobicContact CG1-CG1 3.61Å; I674-I685 PolarHBondContact N-O 3.49Å; I674-I685 PolarHBondContact O-N 3.4Å; I674-V687 HydrophobicContact CB-CG2 4.48Å; I674-V687 HydrophobicContact CD1-CG1 4.49Å; I674-V687 HydrophobicContact CD1-CG2 3.67Å; I674-V687 HydrophobicContact CG1-CG2 3.72Å; I674-V687 HydrophobicContact CG2-CG2 4.03Å; I674-V692 HydrophobicContact CD1-CG2 4.38Å; I674-V692 HydrophobicContact CG2-CG1 4.16Å; I674-V692 HydrophobicContact CG2-CG2 3.61Å |
| 675 | D | 87.3 | Confident | 82.5 | Confident | 43 Ų | 43 | 50.2 Ų | 50.2 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 108.1 | 168.3 | -70.1 | -13.6 | 0 | 0 | 0 | 108.4 | K684 | D675-K684 VanDerWaalsContact CG-NZ 3.32Å; D675-K684 WeakPolarHBondContact OD1-CD 3.41Å; D675-K684 WeakPolarHBondContact OD1-CE 3.28Å; D675-K684 WeakPolarHBondContact OD1-CG 3.24Å; D675-K684 IonicContact OD1-NZ 3.04Å; D675-K684 PolarHBondContact OD1-NZ 2.94Å; D675-K684 IonicContact OD2-NZ 2.85Å; D675-K684 PolarHBondContact OD2-NZ 3.33Å |
| 676 | L | 86.8 | Confident | 82.5 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123 | 176.4 | -69.8 | -175.1 | 0 | 0 | 0 | 111.4 | I674 S682 V683 I685 V695 F727 F732 | I674-L676 HydrophobicContact CD1-CD1 4.11Å; I674-L676 HydrophobicContact CD1-CD2 3.63Å; I674-L676 HydrophobicContact CD1-CG 3.75Å; I674-L676 HydrophobicContact CG1-CD2 4.33Å; I674-L676 HydrophobicContact CG1-CG 4.12Å; L676-S682 CarbonylContact O-C 3.41Å; L676-S682 VanDerWaalsContact O-CA 3.27Å; L676-S682 WeakPolarHBondContact O-CA 3.33Å; L676-V683 PolarHBondContact N-O 2.76Å; L676-V683 PolarHBondContact O-N 2.65Å; L676-I685 HydrophobicContact CD1-CD1 3.59Å; L676-I685 HydrophobicContact CD1-CG1 4.43Å; L676-I685 HydrophobicContact CG-CD1 4.23Å; L676-V695 HydrophobicContact CD2-CG1 3.7Å; L676-F727 HydrophobicContact CD1-CD1 3.99Å; L676-F727 HydrophobicContact CD1-CE1 3.75Å; L676-F732 HydrophobicContact CB-CE1 4.15Å; L676-F732 HydrophobicContact CB-CE2 4.47Å; L676-F732 HydrophobicContact CB-CZ 3.99Å; L676-F732 HydrophobicContact CD1-CD2 4.28Å; L676-F732 HydrophobicContact CD1-CE2 4.27Å |
| 677 | T | 84.5 | Confident | 82.6 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.9 | 175.8 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | I601 R681 | I601-T677 PolarHBondContact O-OG1 3.09Å; T677-R681 VanDerWaalsContact CA-O 3.3Å; T677-R681 WeakPolarHBondContact CA-O 3.33Å |
| 678 | L | 82.2 | Confident | 82.8 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 109.2 | 171.1 | -174.8 | 68.6 | 0 | 0 | 0 | 108.6 | K680 R681 F732 V757 C758 | L678-K680 PolarHBondContact O-N 3.21Å; L678-K680 VanDerWaalsContact O-N 3.16Å; L678-R681 PolarHBondContact N-O 2.97Å; L678-R681 PolarHBondContact O-N 3.46Å; L678-F732 HydrophobicContact CB-CD1 3.82Å; L678-F732 HydrophobicContact CB-CE1 3.8Å; L678-F732 HydrophobicContact CD2-CD1 4.02Å; L678-V757 HydrophobicContact CD1-CG1 3.95Å; L678-C758 HydrophobicContact CD2-CB 4.38Å |
| 679 | G | 79 | Confident | 83.3 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -114.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E760 | G679-E760 VanDerWaalsContact CA-OE1 3.28Å; G679-E760 WeakPolarHBondContact CA-OE1 3.43Å |
| 680 | K | 75.8 | Confident | 83.8 | Confident | 217 Ų | 217 | 46.4 Ų | 46.4 | 94% | 0.943 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.1 | 178.3 | -66.5 | -177.5 | -179.1 | 176.7 | 0 | 114.3 | L678 | L678-K680 PolarHBondContact O-N 3.21Å; L678-K680 VanDerWaalsContact O-N 3.16Å |
| 681 | R | 73.8 | Confident | 84.3 | Confident | 102 Ų | 102 | 47.3 Ų | 47.3 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 120.7 | -175.2 | -173.6 | 175.2 | 178.3 | -168.3 | -6.1 | 110 | T677 L678 V683 L730 | T677-R681 VanDerWaalsContact CA-O 3.3Å; T677-R681 WeakPolarHBondContact CA-O 3.33Å; L678-R681 PolarHBondContact N-O 2.97Å; L678-R681 PolarHBondContact O-N 3.46Å; R681-V683 HydrophobicContact CG-CG2 4.1Å; R681-L730 PolarHBondContact NH1-O 3.35Å; R681-L730 PolarHBondContact NH2-O 3.41Å |
| 682 | S | 83.5 | Confident | 84.7 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 65% | 0.65 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.6 | 171.2 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | L676 | L676-S682 CarbonylContact O-C 3.41Å; L676-S682 VanDerWaalsContact O-CA 3.27Å; L676-S682 WeakPolarHBondContact O-CA 3.33Å |
| 683 | V | 85.3 | Confident | 84.9 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.9 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | L676 R681 I685 F732 | L676-V683 PolarHBondContact N-O 2.76Å; L676-V683 PolarHBondContact O-N 2.65Å; R681-V683 HydrophobicContact CG-CG2 4.1Å; V683-I685 HydrophobicContact CG1-CG2 3.68Å; V683-F732 HydrophobicContact CB-CE2 4.42Å; V683-F732 HydrophobicContact CB-CZ 4.22Å; V683-F732 HydrophobicContact CG2-CE2 4.17Å; V683-F732 HydrophobicContact CG2-CZ 3.87Å |
| 684 | K | 86.7 | Confident | 85.1 | Confident | 133 Ų | 133 | 42.6 Ų | 42.6 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.7 | 170.9 | -50.8 | -156 | 169.8 | -118.2 | 0 | 108.7 | D675 | D675-K684 VanDerWaalsContact CG-NZ 3.32Å; D675-K684 WeakPolarHBondContact OD1-CD 3.41Å; D675-K684 WeakPolarHBondContact OD1-CE 3.28Å; D675-K684 WeakPolarHBondContact OD1-CG 3.24Å; D675-K684 IonicContact OD1-NZ 3.04Å; D675-K684 PolarHBondContact OD1-NZ 2.94Å; D675-K684 IonicContact OD2-NZ 2.85Å; D675-K684 PolarHBondContact OD2-NZ 3.33Å |
| 685 | I | 86.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147 | 179.6 | 56.6 | 177.4 | 0 | 0 | 0 | 110.5 | I674 L676 V683 V687 M726 F727 L730 | I674-I685 HydrophobicContact CD1-CD1 4.18Å; I674-I685 HydrophobicContact CD1-CG1 4.17Å; I674-I685 HydrophobicContact CG1-CD1 4.18Å; I674-I685 HydrophobicContact CG1-CG1 3.61Å; I674-I685 PolarHBondContact N-O 3.49Å; I674-I685 PolarHBondContact O-N 3.4Å; L676-I685 HydrophobicContact CD1-CD1 3.59Å; L676-I685 HydrophobicContact CD1-CG1 4.43Å; L676-I685 HydrophobicContact CG-CD1 4.23Å; V683-I685 HydrophobicContact CG1-CG2 3.68Å; I685-V687 HydrophobicContact CB-CG1 4.44Å; I685-V687 HydrophobicContact CD1-CG1 3.65Å; I685-V687 HydrophobicContact CG1-CG1 3.91Å; I685-M726 HydrophobicContact CD1-CE 3.74Å; I685-F727 HydrophobicContact CD1-CE1 3.78Å; I685-L730 HydrophobicContact CD1-CD1 4.26Å; I685-L730 HydrophobicContact CG2-CD1 4.35Å |
| 686 | D | 83.8 | Confident | 85.2 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 135.1 | 166.3 | -59.3 | -56.8 | 0 | 0 | 0 | 108.5 | R495 V672 N673 M797 | R495-D686 IonicContact CZ-OD2 2.79Å; R495-D686 IonicContact NH1-OD1 2.75Å; R495-D686 IonicContact NH1-OD2 3.36Å; R495-D686 PolarHBondContact NH1-OD2 2.83Å; R495-D686 VanDerWaalsContact NH2-CG 3.35Å; R495-D686 IonicContact NH2-OD2 3.12Å; R495-D686 PolarHBondContact NH2-OD2 3.36Å; V672-D686 CarbonylContact O-C 3.58Å; V672-D686 WeakPolarHBondContact O-CA 3.47Å; N673-D686 WeakPolarHBondContact CB-OD1 3.3Å; N673-D686 PolarHBondContact ND2-OD1 3.11Å; D686-M797 HydrophobicContact CB-CE 4.43Å; D686-M797 HydrophobicContact CB-SD 3.97Å; D686-M797 VanDerWaalsContact O-CE 3.22Å; D686-M797 WeakPolarHBondContact O-CE 3.34Å |
| 687 | V | 85.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.4 | -173 | -74.5 | 0 | 0 | 0 | 0 | 110.2 | V672 I674 I685 Q691 V692 M726 F727 | V672-V687 HydrophobicContact CB-CG2 4.47Å; V672-V687 PolarHBondContact N-O 3.05Å; V672-V687 VanDerWaalsContact O-CG2 3.32Å; V672-V687 WeakPolarHBondContact O-CG2 3.14Å; V672-V687 PolarHBondContact O-N 3.49Å; I674-V687 HydrophobicContact CB-CG2 4.48Å; I674-V687 HydrophobicContact CD1-CG1 4.49Å; I674-V687 HydrophobicContact CD1-CG2 3.67Å; I674-V687 HydrophobicContact CG1-CG2 3.72Å; I674-V687 HydrophobicContact CG2-CG2 4.03Å; I685-V687 HydrophobicContact CB-CG1 4.44Å; I685-V687 HydrophobicContact CD1-CG1 3.65Å; I685-V687 HydrophobicContact CG1-CG1 3.91Å; V687-Q691 HydrophobicContact CB-CB 3.97Å; V687-Q691 HydrophobicContact CG1-CB 4.4Å; V687-V692 HydrophobicContact CB-CG2 4.31Å; V687-V692 HydrophobicContact CG2-CG2 3.23Å; V687-M726 HydrophobicContact CG1-CE 3.59Å; V687-M726 HydrophobicContact CG1-SD 4.06Å; V687-F727 HydrophobicContact CG1-CE1 4.44Å; V687-F727 HydrophobicContact CG1-CZ 4.11Å |
| 688 | T | 85.2 | Confident | 85.5 | Confident | 41 Ų | 41 | 38.7 Ų | 38.7 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | trans | -71.4 | 152.5 | 173.4 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | L690 Q691 V692 | T688-L690 PolarHBondContact O-N 3.45Å; T688-L690 VanDerWaalsContact O-N 3.11Å; T688-Q691 WeakPolarHBondContact O-CB 3.27Å; T688-Q691 PolarHBondContact O-N 2.81Å; T688-Q691 WeakPolarHBondContact OG1-CB 3.15Å; T688-Q691 VanDerWaalsContact OG1-CG 3.31Å; T688-Q691 WeakPolarHBondContact OG1-CG 3.5Å; T688-Q691 PolarHBondContact OG1-N 3.05Å; T688-Q691 PolarHBondContact OG1-OE1 3.23Å; T688-Q691 VanDerWaalsContact OG1-OE1 3.06Å; T688-V692 PolarHBondContact O-N 2.9Å | ||
| 689 | P | 85.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -30 | 173.4 | -32.6 | 37.9 | 0 | 0 | 0 | 113.9 | F637 H667 G670 V672 S693 | F637-P689 HydrophobicContact CE1-CB 4.43Å; F637-P689 HydrophobicContact CZ-CB 3.98Å; H667-P689 WeakPolarHBondContact O-CB 3.07Å; H667-P689 WeakPolarHBondContact O-CD 3.26Å; H667-P689 WeakPolarHBondContact O-CG 3.29Å; G670-P689 VanDerWaalsContact C-CD 3.4Å; G670-P689 WeakPolarHBondContact O-CD 3.3Å; V672-P689 HydrophobicContact CG2-CB 4.33Å; V672-P689 HydrophobicContact CG2-CG 3.74Å; P689-S693 WeakPolarHBondContact O-CB 3.43Å; P689-S693 PolarHBondContact O-N 2.64Å; P689-S693 PolarHBondContact O-OG 3.35Å |
| 690 | L | 87.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -48.3 | 173.9 | -178 | 63.7 | 0 | 0 | 0 | 111.2 | F637 T688 V692 S693 I694 L713 T719 I720 | F637-L690 HydrophobicContact CB-CD1 4.39Å; F637-L690 HydrophobicContact CD1-CD1 4.31Å; F637-L690 HydrophobicContact CD2-CD1 3.81Å; F637-L690 HydrophobicContact CE1-CB 4.17Å; F637-L690 HydrophobicContact CE2-CD1 4.14Å; F637-L690 HydrophobicContact CG-CD1 3.92Å; F637-L690 HydrophobicContact CZ-CB 4.23Å; T688-L690 PolarHBondContact O-N 3.45Å; T688-L690 VanDerWaalsContact O-N 3.11Å; L690-V692 PolarHBondContact O-N 3.35Å; L690-S693 WeakPolarHBondContact O-CB 3.21Å; L690-S693 PolarHBondContact O-N 2.84Å; L690-I694 HydrophobicContact CG-CD1 4.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.3Å; L690-I694 PolarHBondContact O-N 3.3Å; L690-L713 HydrophobicContact CD1-CD1 4.22Å; L690-T719 HydrophobicContact CD2-CG2 3.6Å; L690-I720 HydrophobicContact CD1-CD1 4.05Å |
| 691 | Q | 89.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 38.3 Ų | 38.3 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.1 | -78.3 | 169.1 | -39.1 | 0 | 0 | 112 | V687 T688 S693 I694 V695 F727 | V687-Q691 HydrophobicContact CB-CB 3.97Å; V687-Q691 HydrophobicContact CG1-CB 4.4Å; T688-Q691 WeakPolarHBondContact O-CB 3.27Å; T688-Q691 PolarHBondContact O-N 2.81Å; T688-Q691 WeakPolarHBondContact OG1-CB 3.15Å; T688-Q691 VanDerWaalsContact OG1-CG 3.31Å; T688-Q691 WeakPolarHBondContact OG1-CG 3.5Å; T688-Q691 PolarHBondContact OG1-N 3.05Å; T688-Q691 PolarHBondContact OG1-OE1 3.23Å; T688-Q691 VanDerWaalsContact OG1-OE1 3.06Å; Q691-S693 VanDerWaalsContact C-N 3.32Å; Q691-S693 PolarHBondContact O-N 3.11Å; Q691-I694 PolarHBondContact O-N 3.1Å; Q691-V695 WeakPolarHBondContact O-CG2 3.37Å; Q691-V695 PolarHBondContact O-N 3.39Å; Q691-F727 HydrophobicContact CB-CE2 3.79Å; Q691-F727 HydrophobicContact CB-CZ 3.91Å; Q691-F727 HydrophobicContact CG-CE2 4.01Å; Q691-F727 HydrophobicContact CG-CZ 4.47Å |
| 692 | V | 89.3 | Confident | 87 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.073 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | F643 V672 I674 V687 T688 L690 I694 V695 H696 | F643-V692 HydrophobicContact CE2-CG1 4.28Å; F643-V692 HydrophobicContact CZ-CG1 4.29Å; V672-V692 HydrophobicContact CB-CG2 3.65Å; V672-V692 HydrophobicContact CG1-CG2 3.76Å; V672-V692 HydrophobicContact CG2-CG2 4.1Å; I674-V692 HydrophobicContact CD1-CG2 4.38Å; I674-V692 HydrophobicContact CG2-CG1 4.16Å; I674-V692 HydrophobicContact CG2-CG2 3.61Å; V687-V692 HydrophobicContact CB-CG2 4.31Å; V687-V692 HydrophobicContact CG2-CG2 3.23Å; T688-V692 PolarHBondContact O-N 2.9Å; L690-V692 PolarHBondContact O-N 3.35Å; V692-I694 VanDerWaalsContact C-N 3.29Å; V692-I694 PolarHBondContact O-N 2.92Å; V692-V695 PolarHBondContact O-N 3.32Å; V692-H696 VanDerWaalsContact O-CB 3.31Å; V692-H696 WeakPolarHBondContact O-CB 3.48Å; V692-H696 PolarHBondContact O-N 3.07Å |
| 693 | S | 89.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | P640 P689 L690 Q691 L697 | P640-S693 WeakPolarHBondContact CD-OG 3.5Å; P689-S693 WeakPolarHBondContact O-CB 3.43Å; P689-S693 PolarHBondContact O-N 2.64Å; P689-S693 PolarHBondContact O-OG 3.35Å; L690-S693 WeakPolarHBondContact O-CB 3.21Å; L690-S693 PolarHBondContact O-N 2.84Å; Q691-S693 VanDerWaalsContact C-N 3.32Å; Q691-S693 PolarHBondContact O-N 3.11Å; S693-L697 WeakPolarHBondContact O-CG 3.47Å; S693-L697 PolarHBondContact O-N 3.19Å; S693-L697 VanDerWaalsContact O-N 3.13Å |
| 694 | I | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -52.9 | 173.9 | -66.4 | 164.3 | 0 | 0 | 0 | 110 | L690 Q691 V692 H696 L697 F698 L713 I720 L724 | L690-I694 HydrophobicContact CG-CD1 4.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.3Å; L690-I694 PolarHBondContact O-N 3.3Å; Q691-I694 PolarHBondContact O-N 3.1Å; V692-I694 VanDerWaalsContact C-N 3.29Å; V692-I694 PolarHBondContact O-N 2.92Å; I694-H696 VanDerWaalsContact C-N 3.27Å; I694-H696 PolarHBondContact O-N 2.86Å; I694-L697 WeakPolarHBondContact O-CB 3.41Å; I694-L697 PolarHBondContact O-N 3.02Å; I694-F698 HydrophobicContact CG2-CD2 3.99Å; I694-F698 HydrophobicContact CG2-CE2 3.75Å; I694-F698 VanDerWaalsContact O-CD2 3.32Å; I694-F698 WeakPolarHBondContact O-CD2 3.36Å; I694-F698 PolarHBondContact O-N 3.43Å; I694-L713 HydrophobicContact CG1-CD1 3.56Å; I694-I720 HydrophobicContact CD1-CD1 3.79Å; I694-I720 HydrophobicContact CD1-CG2 4.21Å; I694-I720 HydrophobicContact CG1-CD1 4.13Å; I694-L724 HydrophobicContact CG2-CD2 3.67Å; I694-L724 HydrophobicContact CG2-CG 4.35Å |
| 695 | V | 89.2 | Confident | 87.4 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -40.1 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L676 Q691 V692 L697 F698 T699 F727 | L676-V695 HydrophobicContact CD2-CG1 3.7Å; Q691-V695 WeakPolarHBondContact O-CG2 3.37Å; Q691-V695 PolarHBondContact O-N 3.39Å; V692-V695 PolarHBondContact O-N 3.32Å; V695-L697 VanDerWaalsContact C-N 3.29Å; V695-L697 PolarHBondContact O-N 3.07Å; V695-F698 WeakPolarHBondContact O-CA 3.2Å; V695-F698 WeakPolarHBondContact O-CB 3.5Å; V695-F698 PolarHBondContact O-N 3.04Å; V695-T699 PolarHBondContact O-N 3.42Å; V695-T699 VanDerWaalsContact O-N 3.15Å; V695-F727 HydrophobicContact CG2-CD1 3.93Å; V695-F727 HydrophobicContact CG2-CD2 4.05Å; V695-F727 HydrophobicContact CG2-CE1 3.44Å; V695-F727 VanDerWaalsContact CG2-CE1 3.44Å; V695-F727 HydrophobicContact CG2-CE2 3.56Å; V695-F727 HydrophobicContact CG2-CG 4.22Å; V695-F727 HydrophobicContact CG2-CZ 3.23Å |
| 696 | H | 88.2 | Confident | 87.4 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 175.5 | -174.1 | 62.8 | 0 | 0 | 0 | 112.5 | D642 F643 V692 I694 F698 T699 | D642-H696 IonicContact OD2-CD2 2.8Å; D642-H696 IonicContact OD2-CE1 3.47Å; D642-H696 IonicContact OD2-NE2 3.53Å; D642-H696 PolarHBondContact OD2-NE2 3.28Å; F643-H696 HydrophobicContact CE2-CB 4.14Å; F643-H696 HydrophobicContact CZ-CB 3.71Å; F643-H696 AromaticContact CZ-CD2 3.74Å; F643-H696 AromaticContact CZ-CG 3.45Å; F643-H696 VanDerWaalsContact CZ-CG 3.45Å; F643-H696 AromaticContact CZ-ND1 3.79Å; V692-H696 VanDerWaalsContact O-CB 3.31Å; V692-H696 WeakPolarHBondContact O-CB 3.48Å; V692-H696 PolarHBondContact O-N 3.07Å; I694-H696 VanDerWaalsContact C-N 3.27Å; I694-H696 PolarHBondContact O-N 2.86Å; H696-F698 VanDerWaalsContact C-N 3.31Å; H696-F698 PolarHBondContact O-N 3.4Å; H696-T699 WeakPolarHBondContact O-CB 3.49Å; H696-T699 PolarHBondContact O-N 3.33Å; H696-T699 VanDerWaalsContact O-N 3.14Å; H696-T699 PolarHBondContact O-OG1 3.37Å |
| 697 | L | 88.6 | Confident | 87.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 174 | -68.9 | 173.9 | 0 | 0 | 0 | 112.3 | S693 I694 V695 T699 K700 Q701 W704 L709 K712 L713 | S693-L697 WeakPolarHBondContact O-CG 3.47Å; S693-L697 PolarHBondContact O-N 3.19Å; S693-L697 VanDerWaalsContact O-N 3.13Å; I694-L697 WeakPolarHBondContact O-CB 3.41Å; I694-L697 PolarHBondContact O-N 3.02Å; V695-L697 VanDerWaalsContact C-N 3.29Å; V695-L697 PolarHBondContact O-N 3.07Å; L697-T699 PolarHBondContact O-N 3.19Å; L697-K700 PolarHBondContact O-N 2.91Å; L697-K700 VanDerWaalsContact O-N 3.09Å; L697-Q701 PolarHBondContact O-N 3.43Å; L697-Q701 VanDerWaalsContact O-N 3.15Å; L697-W704 HydrophobicContact CB-CZ2 4.07Å; L697-W704 HydrophobicContact CD2-CZ2 4.48Å; L697-W704 PolarHBondContact O-NE1 3.29Å; L697-L709 HydrophobicContact CB-CD2 4.09Å; L697-L709 HydrophobicContact CD1-CD2 3.69Å; L697-K712 HydrophobicContact CD1-CD 4.27Å; L697-K712 HydrophobicContact CD1-CG 4.5Å; L697-K712 HydrophobicContact CD2-CD 3.91Å; L697-L713 HydrophobicContact CD1-CD1 4.03Å; L697-L713 HydrophobicContact CD1-CD2 3.94Å; L697-L713 HydrophobicContact CD1-CG 3.87Å |
| 698 | F | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -23.3 | 173.2 | -79.9 | -80.1 | 0 | 0 | 0 | 113.6 | I694 V695 H696 K700 Q701 W704 L709 L724 I733 V757 | I694-F698 HydrophobicContact CG2-CD2 3.99Å; I694-F698 HydrophobicContact CG2-CE2 3.75Å; I694-F698 VanDerWaalsContact O-CD2 3.32Å; I694-F698 WeakPolarHBondContact O-CD2 3.36Å; I694-F698 PolarHBondContact O-N 3.43Å; V695-F698 WeakPolarHBondContact O-CA 3.2Å; V695-F698 WeakPolarHBondContact O-CB 3.5Å; V695-F698 PolarHBondContact O-N 3.04Å; H696-F698 VanDerWaalsContact C-N 3.31Å; H696-F698 PolarHBondContact O-N 3.4Å; F698-K700 VanDerWaalsContact C-N 3.3Å; F698-Q701 CarbonylContact C-O 3.6Å; F698-Q701 VanDerWaalsContact CA-O 3.28Å; F698-Q701 WeakPolarHBondContact CA-O 3.34Å; F698-Q701 CarbonylContact O-C 3.58Å; F698-W704 AromaticContact CD1-CD1 3.56Å; F698-W704 HydrophobicContact CE1-CB 4.16Å; F698-W704 AromaticContact CE1-CD1 3.57Å; F698-W704 HydrophobicContact CE1-CG 4.24Å; F698-W704 HydrophobicContact CZ-CB 4.07Å; F698-W704 AromaticContact CZ-CD1 3.97Å; F698-W704 HydrophobicContact CZ-CG 4.34Å; F698-L709 HydrophobicContact CE2-CD1 3.94Å; F698-L709 HydrophobicContact CZ-CD1 4.07Å; F698-L724 HydrophobicContact CE2-CD2 3.96Å; F698-L724 HydrophobicContact CZ-CD2 4.44Å; F698-I733 HydrophobicContact CD2-CD1 3.86Å; F698-I733 HydrophobicContact CE2-CD1 3.85Å; F698-I733 HydrophobicContact CG-CD1 4.33Å; F698-I733 HydrophobicContact CZ-CD1 4.28Å; F698-I733 HydrophobicContact CZ-CG2 4.34Å; F698-V757 HydrophobicContact CB-CG2 3.97Å; F698-V757 HydrophobicContact CD1-CG2 3.67Å; F698-V757 HydrophobicContact CG-CG2 4.19Å |
| 699 | T | 85.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 43% | 0.429 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.9 | -28.7 | 171.3 | 73.6 | 0 | 0 | 0 | 0 | 112.5 | I601 V695 H696 L697 | I601-T699 HydrophobicContact CD1-CG2 4.29Å; I601-T699 HydrophobicContact CG2-CG2 3.8Å; V695-T699 PolarHBondContact O-N 3.42Å; V695-T699 VanDerWaalsContact O-N 3.15Å; H696-T699 WeakPolarHBondContact O-CB 3.49Å; H696-T699 PolarHBondContact O-N 3.33Å; H696-T699 VanDerWaalsContact O-N 3.14Å; H696-T699 PolarHBondContact O-OG1 3.37Å; L697-T699 PolarHBondContact O-N 3.19Å |
| 700 | K | 85.3 | Confident | 87.8 | Confident | 109 Ų | 109 | 45.1 Ų | 45.1 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -83.3 | -35.3 | 179.3 | -63.3 | -167.6 | 177.6 | -168.7 | 0 | 112.5 | D642 L697 F698 | D642-K700 VanDerWaalsContact CG-NZ 3.35Å; D642-K700 IonicContact OD1-NZ 2.71Å; D642-K700 PolarHBondContact OD1-NZ 2.89Å; D642-K700 WeakPolarHBondContact OD2-CE 3.28Å; D642-K700 IonicContact OD2-NZ 3.94Å; D642-K700 PolarHBondContact OD2-NZ 3.33Å; L697-K700 PolarHBondContact O-N 2.91Å; L697-K700 VanDerWaalsContact O-N 3.09Å; F698-K700 VanDerWaalsContact C-N 3.3Å |
| 701 | Q | 86.4 | Confident | 87.8 | Confident | 101 Ų | 101 | 51.7 Ų | 51.7 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | trans | -143.1 | 134.3 | 179.3 | -62.8 | 179.8 | -15.8 | 0 | 0 | 109.8 | L697 F698 T703 W704 | L697-Q701 PolarHBondContact O-N 3.43Å; L697-Q701 VanDerWaalsContact O-N 3.15Å; F698-Q701 CarbonylContact C-O 3.6Å; F698-Q701 VanDerWaalsContact CA-O 3.28Å; F698-Q701 WeakPolarHBondContact CA-O 3.34Å; F698-Q701 CarbonylContact O-C 3.58Å; Q701-T703 PolarHBondContact O-N 2.84Å; Q701-W704 HydrophobicContact CB-CZ2 3.76Å; Q701-W704 HydrophobicContact CG-CZ2 3.92Å; Q701-W704 PolarHBondContact O-NE1 2.98Å | ||
| 702 | R | 85 | Confident | 87.7 | Confident | 166 Ų | 166 | 55.2 Ų | 55.2 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -73.2 | -24.3 | -174.1 | -77.5 | -172.1 | 164.9 | -147.8 | -5.5 | 114.6 | E756 V757 D759 | R702-E756 WeakPolarHBondContact O-CA 3.41Å; R702-V757 PolarHBondContact O-N 2.93Å; R702-D759 IonicContact CZ-OD1 2.62Å; R702-D759 IonicContact NH1-OD1 3.14Å; R702-D759 PolarHBondContact NH1-OD1 3.34Å |
| 703 | T | 87.4 | Confident | 87.6 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.5 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | Q701 Y755 E756 | Q701-T703 PolarHBondContact O-N 2.84Å; T703-Y755 WeakPolarHBondContact CA-O 3.41Å; T703-E756 HydrophobicContact CG2-CB 3.56Å |
| 704 | W | 88.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.3 | -179 | -74 | 91 | 0 | 0 | 0 | 111.4 | L697 F698 Q701 D708 L709 K712 Y755 | L697-W704 HydrophobicContact CB-CZ2 4.07Å; L697-W704 HydrophobicContact CD2-CZ2 4.48Å; L697-W704 PolarHBondContact O-NE1 3.29Å; F698-W704 AromaticContact CD1-CD1 3.56Å; F698-W704 HydrophobicContact CE1-CB 4.16Å; F698-W704 AromaticContact CE1-CD1 3.57Å; F698-W704 HydrophobicContact CE1-CG 4.24Å; F698-W704 HydrophobicContact CZ-CB 4.07Å; F698-W704 AromaticContact CZ-CD1 3.97Å; F698-W704 HydrophobicContact CZ-CG 4.34Å; Q701-W704 HydrophobicContact CB-CZ2 3.76Å; Q701-W704 HydrophobicContact CG-CZ2 3.92Å; Q701-W704 PolarHBondContact O-NE1 2.98Å; W704-D708 HydrophobicContact CE3-CB 4.2Å; W704-D708 HydrophobicContact CZ3-CB 4.48Å; W704-L709 HydrophobicContact CB-CD1 3.83Å; W704-L709 HydrophobicContact CB-CD2 4.16Å; W704-L709 HydrophobicContact CB-CG 3.81Å; W704-L709 HydrophobicContact CD2-CD2 3.76Å; W704-L709 HydrophobicContact CD2-CG 4.23Å; W704-L709 HydrophobicContact CE3-CD2 3.95Å; W704-L709 HydrophobicContact CE3-CG 4.23Å; W704-L709 HydrophobicContact CG-CD1 4.38Å; W704-L709 HydrophobicContact CG-CD2 3.87Å; W704-L709 HydrophobicContact CG-CG 4.08Å; W704-K712 HydrophobicContact CH2-CD 3.98Å; W704-K712 HydrophobicContact CZ3-CD 4.1Å; W704-Y755 PolarHBondContact N-O 3Å; W704-Y755 PolarHBondContact O-N 3.16Å |
| 705 | Y | 87.8 | Confident | 87.3 | Confident | 113 Ų | 113 | 61.3 Ų | 61.3 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 140.6 | 162.7 | -67.1 | -87 | 0 | 0 | 0 | 109.7 | R707 D708 L709 I754 | Y705-R707 PolarHBondContact O-N 3.25Å; Y705-D708 WeakPolarHBondContact CD2-OD2 3.41Å; Y705-D708 PolarHBondContact O-N 2.74Å; Y705-D708 VanDerWaalsContact O-N 3.08Å; Y705-L709 PolarHBondContact O-N 3.41Å; Y705-L709 VanDerWaalsContact O-N 3.15Å; Y705-I754 HydrophobicContact CD1-CD1 4.22Å; Y705-I754 HydrophobicContact CD1-CG1 3.5Å; Y705-I754 HydrophobicContact CE1-CD1 3.45Å; Y705-I754 VanDerWaalsContact CE1-CD1 3.45Å; Y705-I754 HydrophobicContact CE1-CG1 3.27Å; Y705-I754 HydrophobicContact CG-CG1 4.33Å |
| 706 | I | 86.3 | Confident | 87 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -35.3 | 179.8 | -163.8 | 173 | 0 | 0 | 0 | 112.6 | L709 A710 I717 I720 R721 E753 Y755 | I706-L709 PolarHBondContact O-N 2.88Å; I706-A710 WeakPolarHBondContact O-CB 3.22Å; I706-A710 PolarHBondContact O-N 3.36Å; I706-I717 HydrophobicContact CD1-CG2 3.73Å; I706-I717 HydrophobicContact CG1-CG2 4.04Å; I706-I717 HydrophobicContact CG2-CG2 4.25Å; I706-I720 HydrophobicContact CG1-CG2 4.13Å; I706-R721 HydrophobicContact CD1-CB 3.87Å; I706-R721 HydrophobicContact CD1-CG 4.27Å; I706-E753 HydrophobicContact CB-CB 4.37Å; I706-E753 HydrophobicContact CG2-CB 3.9Å; I706-E753 PolarHBondContact N-O 2.99Å; I706-E753 VanDerWaalsContact N-O 3.1Å; I706-Y755 HydrophobicContact CB-CD2 4.42Å; I706-Y755 HydrophobicContact CB-CE2 4.12Å; I706-Y755 HydrophobicContact CD1-CE2 4.09Å; I706-Y755 HydrophobicContact CG1-CE2 4.31Å |
| 707 | R | 85.5 | Confident | 86.8 | Confident | 128 Ų | 128 | 67.9 Ų | 67.9 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.8 | -178.7 | -177.1 | -74.6 | -139.6 | -4.8 | 111.9 | Y705 L709 A710 Q711 N751 | Y705-R707 PolarHBondContact O-N 3.25Å; R707-L709 VanDerWaalsContact C-N 3.35Å; R707-A710 PolarHBondContact O-N 3.17Å; R707-Q711 WeakPolarHBondContact O-CB 3.41Å; R707-Q711 PolarHBondContact O-N 3.31Å; R707-N751 PolarHBondContact NH2-OD1 2.8Å |
| 708 | D | 88.2 | Confident | 86.5 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | -179.5 | -65.1 | -15 | 0 | 0 | 0 | 110.7 | W704 Y705 K712 | W704-D708 HydrophobicContact CE3-CB 4.2Å; W704-D708 HydrophobicContact CZ3-CB 4.48Å; Y705-D708 WeakPolarHBondContact CD2-OD2 3.41Å; Y705-D708 PolarHBondContact O-N 2.74Å; Y705-D708 VanDerWaalsContact O-N 3.08Å; D708-K712 WeakPolarHBondContact O-CB 3.15Å; D708-K712 PolarHBondContact O-N 3.28Å |
| 709 | L | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 171.3 | -73 | 172.2 | 0 | 0 | 0 | 111.6 | L697 F698 W704 Y705 I706 R707 Q711 K712 L713 I720 | L697-L709 HydrophobicContact CB-CD2 4.09Å; L697-L709 HydrophobicContact CD1-CD2 3.69Å; F698-L709 HydrophobicContact CE2-CD1 3.94Å; F698-L709 HydrophobicContact CZ-CD1 4.07Å; W704-L709 HydrophobicContact CB-CD1 3.83Å; W704-L709 HydrophobicContact CB-CD2 4.16Å; W704-L709 HydrophobicContact CB-CG 3.81Å; W704-L709 HydrophobicContact CD2-CD2 3.76Å; W704-L709 HydrophobicContact CD2-CG 4.23Å; W704-L709 HydrophobicContact CE3-CD2 3.95Å; W704-L709 HydrophobicContact CE3-CG 4.23Å; W704-L709 HydrophobicContact CG-CD1 4.38Å; W704-L709 HydrophobicContact CG-CD2 3.87Å; W704-L709 HydrophobicContact CG-CG 4.08Å; Y705-L709 PolarHBondContact O-N 3.41Å; Y705-L709 VanDerWaalsContact O-N 3.15Å; I706-L709 PolarHBondContact O-N 2.88Å; R707-L709 VanDerWaalsContact C-N 3.35Å; L709-Q711 PolarHBondContact O-N 3.39Å; L709-K712 PolarHBondContact O-N 3.02Å; L709-L713 WeakPolarHBondContact O-CB 3.49Å; L709-L713 PolarHBondContact O-N 3.32Å; L709-I720 HydrophobicContact CB-CG2 4.17Å; L709-I720 HydrophobicContact CD1-CG2 4.41Å |
| 710 | A | 87.4 | Confident | 86.1 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I706 R707 E714 S715 I717 I720 | I706-A710 WeakPolarHBondContact O-CB 3.22Å; I706-A710 PolarHBondContact O-N 3.36Å; R707-A710 PolarHBondContact O-N 3.17Å; A710-E714 WeakPolarHBondContact O-CA 3.35Å; A710-E714 PolarHBondContact O-N 2.85Å; A710-S715 WeakPolarHBondContact CB-O 3.46Å; A710-S715 PolarHBondContact O-N 3.45Å; A710-I717 HydrophobicContact CB-CG1 3.73Å; A710-I720 HydrophobicContact CB-CG1 4.34Å |
| 711 | Q | 88.7 | Confident | 86.2 | Confident | 143 Ų | 143 | 66.3 Ų | 66.3 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 177.2 | -174.6 | 175.1 | -6.3 | 0 | 0 | 112.1 | R707 L709 E714 | R707-Q711 WeakPolarHBondContact O-CB 3.41Å; R707-Q711 PolarHBondContact O-N 3.31Å; L709-Q711 PolarHBondContact O-N 3.39Å; Q711-E714 PolarHBondContact O-N 3.41Å |
| 712 | K | 87.6 | Confident | 86 | Confident | 98 Ų | 98 | 65 Ų | 65 | 43% | 0.426 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.9 | -36.4 | -177 | -167.7 | 165 | -172.4 | 173.1 | 0 | 113.1 | L697 W704 D708 L709 E714 | L697-K712 HydrophobicContact CD1-CD 4.27Å; L697-K712 HydrophobicContact CD1-CG 4.5Å; L697-K712 HydrophobicContact CD2-CD 3.91Å; W704-K712 HydrophobicContact CH2-CD 3.98Å; W704-K712 HydrophobicContact CZ3-CD 4.1Å; D708-K712 WeakPolarHBondContact O-CB 3.15Å; D708-K712 PolarHBondContact O-N 3.28Å; L709-K712 PolarHBondContact O-N 3.02Å; K712-E714 VanDerWaalsContact C-N 3.34Å |
| 713 | L | 86.7 | Confident | 86 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -88.9 | -2 | 175.9 | -64.7 | 171.4 | 0 | 0 | 0 | 112.6 | F637 K638 P640 L690 I694 L697 L709 S715 I720 | F637-L713 WeakPolarHBondContact CA-O 3.3Å; F637-L713 WeakPolarHBondContact CB-O 3.46Å; K638-L713 PolarHBondContact N-O 2.86Å; K638-L713 WeakPolarHBondContact O-CD2 3.28Å; P640-L713 HydrophobicContact CG-CD2 4.47Å; L690-L713 HydrophobicContact CD1-CD1 4.22Å; I694-L713 HydrophobicContact CG1-CD1 3.56Å; L697-L713 HydrophobicContact CD1-CD1 4.03Å; L697-L713 HydrophobicContact CD1-CD2 3.94Å; L697-L713 HydrophobicContact CD1-CG 3.87Å; L709-L713 WeakPolarHBondContact O-CB 3.49Å; L709-L713 PolarHBondContact O-N 3.32Å; L713-S715 PolarHBondContact O-N 3.48Å; L713-I720 HydrophobicContact CD1-CD1 3.82Å |
| 714 | E | 88.2 | Confident | 86 | Confident | 120 Ų | 120 | 54 Ų | 54 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41 | -176.7 | -63.1 | 173.9 | -164.6 | 0 | 0 | 112.1 | K638 A710 Q711 K712 | K638-E714 HydrophobicContact CB-CB 4.28Å; K638-E714 HydrophobicContact CB-CG 4.24Å; K638-E714 HydrophobicContact CD-CG 4.31Å; K638-E714 VanDerWaalsContact CD-OE1 3.29Å; K638-E714 WeakPolarHBondContact CD-OE1 3.36Å; K638-E714 IonicContact NZ-OE1 2.67Å; K638-E714 PolarHBondContact NZ-OE1 2.91Å; K638-E714 VanDerWaalsContact NZ-OE1 3.13Å; A710-E714 WeakPolarHBondContact O-CA 3.35Å; A710-E714 PolarHBondContact O-N 2.85Å; Q711-E714 PolarHBondContact O-N 3.41Å; K712-E714 VanDerWaalsContact C-N 3.34Å |
| 715 | S | 84.4 | Confident | 85.8 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | trans | -121.6 | 160.4 | -176.9 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | A710 L713 | A710-S715 WeakPolarHBondContact CB-O 3.46Å; A710-S715 PolarHBondContact O-N 3.45Å; L713-S715 PolarHBondContact O-N 3.48Å | ||
| 716 | Q | 83.4 | Confident | 85.5 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | trans | -67.6 | 143.5 | 176.4 | -61.2 | -177.4 | -7 | 0 | 0 | 111.9 | S718 T719 I720 | Q716-S718 VanDerWaalsContact C-N 3.3Å; Q716-S718 PolarHBondContact O-N 3.15Å; Q716-T719 PolarHBondContact O-N 3.36Å; Q716-T719 VanDerWaalsContact O-N 3.16Å; Q716-I720 PolarHBondContact O-N 3.47Å; Q716-I720 VanDerWaalsContact O-N 3.13Å | ||
| 717 | I | 83.8 | Confident | 85.5 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -41.7 | -180 | -62.5 | 173.2 | 0 | 0 | 0 | 111.1 | I706 A710 T719 I720 R721 | I706-I717 HydrophobicContact CD1-CG2 3.73Å; I706-I717 HydrophobicContact CG1-CG2 4.04Å; I706-I717 HydrophobicContact CG2-CG2 4.25Å; A710-I717 HydrophobicContact CB-CG1 3.73Å; I717-T719 PolarHBondContact O-N 3.05Å; I717-I720 PolarHBondContact O-N 3.43Å; I717-R721 WeakPolarHBondContact O-CB 3.33Å; I717-R721 PolarHBondContact O-N 2.96Å |
| 718 | S | 82.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 112 | Q716 I720 R721 T722 | Q716-S718 VanDerWaalsContact C-N 3.3Å; Q716-S718 PolarHBondContact O-N 3.15Å; S718-I720 PolarHBondContact O-N 3.4Å; S718-R721 WeakPolarHBondContact O-CB 3.48Å; S718-R721 PolarHBondContact O-N 3.15Å; S718-T722 PolarHBondContact O-N 3.44Å; S718-T722 PolarHBondContact O-OG1 3.35Å; S718-T722 VanDerWaalsContact O-OG1 3.1Å |
| 719 | T | 81.9 | Confident | 85.3 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 178.9 | -45.1 | 0 | 0 | 0 | 0 | 112 | L690 Q716 I717 S723 | L690-T719 HydrophobicContact CD2-CG2 3.6Å; Q716-T719 PolarHBondContact O-N 3.36Å; Q716-T719 VanDerWaalsContact O-N 3.16Å; I717-T719 PolarHBondContact O-N 3.05Å; T719-S723 WeakPolarHBondContact O-CB 3.47Å; T719-S723 PolarHBondContact O-N 2.93Å; T719-S723 PolarHBondContact O-OG 3.15Å |
| 720 | I | 85.7 | Confident | 85 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 175.6 | -62.1 | -60.4 | 0 | 0 | 0 | 110.4 | L690 I694 I706 L709 A710 L713 Q716 I717 S718 T722 S723 L724 | L690-I720 HydrophobicContact CD1-CD1 4.05Å; I694-I720 HydrophobicContact CD1-CD1 3.79Å; I694-I720 HydrophobicContact CD1-CG2 4.21Å; I694-I720 HydrophobicContact CG1-CD1 4.13Å; I706-I720 HydrophobicContact CG1-CG2 4.13Å; L709-I720 HydrophobicContact CB-CG2 4.17Å; L709-I720 HydrophobicContact CD1-CG2 4.41Å; A710-I720 HydrophobicContact CB-CG1 4.34Å; L713-I720 HydrophobicContact CD1-CD1 3.82Å; Q716-I720 PolarHBondContact O-N 3.47Å; Q716-I720 VanDerWaalsContact O-N 3.13Å; I717-I720 PolarHBondContact O-N 3.43Å; S718-I720 PolarHBondContact O-N 3.4Å; I720-T722 PolarHBondContact O-N 2.95Å; I720-S723 WeakPolarHBondContact O-CB 3.39Å; I720-S723 PolarHBondContact O-N 2.92Å; I720-L724 HydrophobicContact CG2-CD1 4.03Å; I720-L724 HydrophobicContact CG2-CG 4.48Å; I720-L724 WeakPolarHBondContact O-CG 3.48Å; I720-L724 PolarHBondContact O-N 3.16Å |
| 721 | R | 86 | Confident | 84.7 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 178.2 | -165 | 176.5 | -69.8 | 119.6 | -7.1 | 111.9 | I706 I717 S718 S723 L724 Y725 E753 | I706-R721 HydrophobicContact CD1-CB 3.87Å; I706-R721 HydrophobicContact CD1-CG 4.27Å; I717-R721 WeakPolarHBondContact O-CB 3.33Å; I717-R721 PolarHBondContact O-N 2.96Å; S718-R721 WeakPolarHBondContact O-CB 3.48Å; S718-R721 PolarHBondContact O-N 3.15Å; R721-S723 VanDerWaalsContact C-N 3.29Å; R721-S723 PolarHBondContact O-N 3.48Å; R721-L724 PolarHBondContact O-N 3.09Å; R721-Y725 PolarHBondContact O-N 3.34Å; R721-E753 IonicContact CZ-OE1 2.73Å; R721-E753 IonicContact CZ-OE2 3.43Å; R721-E753 IonicContact NE-OE1 3.34Å; R721-E753 IonicContact NE-OE2 2.7Å; R721-E753 PolarHBondContact NE-OE2 2.98Å; R721-E753 VanDerWaalsContact NH2-CD 3.33Å; R721-E753 IonicContact NH2-OE1 3.25Å; R721-E753 PolarHBondContact NH2-OE1 3.15Å; R721-E753 VanDerWaalsContact NH2-OE1 3.14Å; R721-E753 IonicContact NH2-OE2 3.57Å; R721-E753 PolarHBondContact NH2-OE2 3.48Å |
| 722 | T | 83.3 | Confident | 84.5 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.9 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | S718 I720 L724 Y725 | S718-T722 PolarHBondContact O-N 3.44Å; S718-T722 PolarHBondContact O-OG1 3.35Å; S718-T722 VanDerWaalsContact O-OG1 3.1Å; I720-T722 PolarHBondContact O-N 2.95Å; T722-L724 VanDerWaalsContact C-N 3.32Å; T722-L724 PolarHBondContact O-N 3.03Å; T722-Y725 WeakPolarHBondContact O-CB 3.42Å; T722-Y725 PolarHBondContact O-N 3.19Å |
| 723 | S | 84.7 | Confident | 84.4 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -33.1 | 179.2 | -59.6 | 0 | 0 | 0 | 0 | 112.9 | T719 I720 R721 | T719-S723 WeakPolarHBondContact O-CB 3.47Å; T719-S723 PolarHBondContact O-N 2.93Å; T719-S723 PolarHBondContact O-OG 3.15Å; I720-S723 WeakPolarHBondContact O-CB 3.39Å; I720-S723 PolarHBondContact O-N 2.92Å; R721-S723 VanDerWaalsContact C-N 3.29Å; R721-S723 PolarHBondContact O-N 3.48Å |
| 724 | L | 87 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.2 | -29.7 | 177.8 | -78 | 168.2 | 0 | 0 | 0 | 113.2 | I694 F698 I720 R721 T722 M726 F727 I728 I733 Y755 | I694-L724 HydrophobicContact CG2-CD2 3.67Å; I694-L724 HydrophobicContact CG2-CG 4.35Å; F698-L724 HydrophobicContact CE2-CD2 3.96Å; F698-L724 HydrophobicContact CZ-CD2 4.44Å; I720-L724 HydrophobicContact CG2-CD1 4.03Å; I720-L724 HydrophobicContact CG2-CG 4.48Å; I720-L724 WeakPolarHBondContact O-CG 3.48Å; I720-L724 PolarHBondContact O-N 3.16Å; R721-L724 PolarHBondContact O-N 3.09Å; T722-L724 VanDerWaalsContact C-N 3.32Å; T722-L724 PolarHBondContact O-N 3.03Å; L724-M726 VanDerWaalsContact C-N 3.27Å; L724-M726 PolarHBondContact O-N 3.22Å; L724-M726 VanDerWaalsContact O-N 3.17Å; L724-F727 PolarHBondContact O-N 3.19Å; L724-I728 HydrophobicContact CB-CD1 4.24Å; L724-I728 WeakPolarHBondContact O-CG1 3.08Å; L724-I728 PolarHBondContact O-N 2.95Å; L724-I733 HydrophobicContact CD2-CD1 3.85Å; L724-Y755 HydrophobicContact CD1-CD1 4.27Å; L724-Y755 HydrophobicContact CD1-CD2 3.82Å; L724-Y755 HydrophobicContact CD1-CE1 4.27Å; L724-Y755 HydrophobicContact CD1-CE2 3.8Å; L724-Y755 HydrophobicContact CD1-CG 4.04Å |
| 725 | Y | 85.4 | Confident | 84.3 | Confident | 152 Ų | 152 | 50.4 Ų | 50.4 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -51.8 | -43.5 | -173.3 | -173.7 | -97.2 | 0 | 0 | 0 | 113.4 | R721 T722 F727 I728 Q729 | R721-Y725 PolarHBondContact O-N 3.34Å; T722-Y725 WeakPolarHBondContact O-CB 3.42Å; T722-Y725 PolarHBondContact O-N 3.19Å; Y725-F727 PolarHBondContact O-N 2.67Å; Y725-I728 WeakPolarHBondContact O-CB 3.39Å; Y725-I728 PolarHBondContact O-N 2.95Å; Y725-Q729 PolarHBondContact O-N 2.86Å |
| 726 | M | 81.6 | Confident | 84 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 17% | 0.167 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.6 | -175.2 | -155.6 | 71.4 | 0 | 0 | 112.2 | I685 V687 L724 I728 Q729 L730 | I685-M726 HydrophobicContact CD1-CE 3.74Å; V687-M726 HydrophobicContact CG1-CE 3.59Å; V687-M726 HydrophobicContact CG1-SD 4.06Å; L724-M726 VanDerWaalsContact C-N 3.27Å; L724-M726 PolarHBondContact O-N 3.22Å; L724-M726 VanDerWaalsContact O-N 3.17Å; M726-I728 VanDerWaalsContact C-N 3.32Å; M726-I728 PolarHBondContact O-N 3.42Å; M726-Q729 PolarHBondContact O-N 3.12Å; M726-L730 HydrophobicContact CE-CD1 4.24Å; M726-L730 HydrophobicContact CG-CD1 4.29Å; M726-L730 WeakPolarHBondContact O-CB 3.5Å; M726-L730 VanDerWaalsContact O-CG 3.31Å; M726-L730 WeakPolarHBondContact O-CG 3.19Å; M726-L730 PolarHBondContact O-N 2.89Å |
| 727 | F | 86.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -28.2 | 178.7 | -59.9 | -67.6 | 0 | 0 | 0 | 112.8 | L676 I685 V687 Q691 V695 L724 Y725 G731 F732 I733 | L676-F727 HydrophobicContact CD1-CD1 3.99Å; L676-F727 HydrophobicContact CD1-CE1 3.75Å; I685-F727 HydrophobicContact CD1-CE1 3.78Å; V687-F727 HydrophobicContact CG1-CE1 4.44Å; V687-F727 HydrophobicContact CG1-CZ 4.11Å; Q691-F727 HydrophobicContact CB-CE2 3.79Å; Q691-F727 HydrophobicContact CB-CZ 3.91Å; Q691-F727 HydrophobicContact CG-CE2 4.01Å; Q691-F727 HydrophobicContact CG-CZ 4.47Å; V695-F727 HydrophobicContact CG2-CD1 3.93Å; V695-F727 HydrophobicContact CG2-CD2 4.05Å; V695-F727 HydrophobicContact CG2-CE1 3.44Å; V695-F727 VanDerWaalsContact CG2-CE1 3.44Å; V695-F727 HydrophobicContact CG2-CE2 3.56Å; V695-F727 HydrophobicContact CG2-CG 4.22Å; V695-F727 HydrophobicContact CG2-CZ 3.23Å; L724-F727 PolarHBondContact O-N 3.19Å; Y725-F727 PolarHBondContact O-N 2.67Å; F727-G731 PolarHBondContact O-N 2.84Å; F727-G731 VanDerWaalsContact O-N 3.12Å; F727-F732 PolarHBondContact O-N 2.84Å; F727-I733 HydrophobicContact CB-CB 4.37Å; F727-I733 HydrophobicContact CB-CD1 3.82Å; F727-I733 HydrophobicContact CB-CG1 4.11Å; F727-I733 HydrophobicContact CG-CD1 4.3Å; F727-I733 PolarHBondContact O-N 2.86Å |
| 728 | I | 85.7 | Confident | 81.4 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 172.4 | -62.1 | 165.6 | 0 | 0 | 0 | 110.1 | L724 Y725 M726 L730 G731 I733 Y755 | L724-I728 HydrophobicContact CB-CD1 4.24Å; L724-I728 WeakPolarHBondContact O-CG1 3.08Å; L724-I728 PolarHBondContact O-N 2.95Å; Y725-I728 WeakPolarHBondContact O-CB 3.39Å; Y725-I728 PolarHBondContact O-N 2.95Å; M726-I728 VanDerWaalsContact C-N 3.32Å; M726-I728 PolarHBondContact O-N 3.42Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.41Å; I728-G731 WeakPolarHBondContact O-CA 3.33Å; I728-G731 PolarHBondContact O-N 2.65Å; I728-I733 VanDerWaalsContact CA-O 3.32Å; I728-I733 WeakPolarHBondContact CA-O 3.48Å; I728-Y755 HydrophobicContact CD1-CD1 4.22Å; I728-Y755 HydrophobicContact CD1-CE1 3.6Å |
| 729 | Q | 81.9 | Confident | 79.4 | Confident | 123 Ų | 123 | 60 Ų | 60 | 58% | 0.575 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 177.9 | -171.3 | 173.5 | -0.9 | 0 | 0 | 112.3 | Y725 M726 G731 | Y725-Q729 PolarHBondContact O-N 2.86Å; M726-Q729 PolarHBondContact O-N 3.12Å; Q729-G731 PolarHBondContact O-N 3.16Å |
| 730 | L | 83.3 | Confident | 77.3 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.9 | 172.7 | -69.8 | 172.7 | 0 | 0 | 0 | 112.8 | R681 I685 M726 I728 F732 W796 | R681-L730 PolarHBondContact NH1-O 3.35Å; R681-L730 PolarHBondContact NH2-O 3.41Å; I685-L730 HydrophobicContact CD1-CD1 4.26Å; I685-L730 HydrophobicContact CG2-CD1 4.35Å; M726-L730 HydrophobicContact CE-CD1 4.24Å; M726-L730 HydrophobicContact CG-CD1 4.29Å; M726-L730 WeakPolarHBondContact O-CB 3.5Å; M726-L730 VanDerWaalsContact O-CG 3.31Å; M726-L730 WeakPolarHBondContact O-CG 3.19Å; M726-L730 PolarHBondContact O-N 2.89Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.41Å; L730-F732 HydrophobicContact CB-CD2 3.61Å; L730-F732 HydrophobicContact CB-CE2 3.93Å; L730-F732 HydrophobicContact CD1-CD2 4.43Å; L730-F732 HydrophobicContact CD1-CE2 4.39Å; L730-W796 HydrophobicContact CD2-CE3 4.4Å; L730-W796 HydrophobicContact CD2-CZ3 4.43Å |
| 731 | G | 81.3 | Confident | 74.9 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 16.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | F727 I728 Q729 C758 | F727-G731 PolarHBondContact O-N 2.84Å; F727-G731 VanDerWaalsContact O-N 3.12Å; I728-G731 WeakPolarHBondContact O-CA 3.33Å; I728-G731 PolarHBondContact O-N 2.65Å; Q729-G731 PolarHBondContact O-N 3.16Å; G731-C758 PolarHBondContact O-SG 3.02Å |
| 732 | F | 83.7 | Confident | 72.4 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -82.8 | -29.6 | 176 | -72.7 | -78.4 | 0 | 0 | 0 | 112.7 | L676 L678 V683 F727 L730 C758 | L676-F732 HydrophobicContact CB-CE1 4.15Å; L676-F732 HydrophobicContact CB-CE2 4.47Å; L676-F732 HydrophobicContact CB-CZ 3.99Å; L676-F732 HydrophobicContact CD1-CD2 4.28Å; L676-F732 HydrophobicContact CD1-CE2 4.27Å; L678-F732 HydrophobicContact CB-CD1 3.82Å; L678-F732 HydrophobicContact CB-CE1 3.8Å; L678-F732 HydrophobicContact CD2-CD1 4.02Å; V683-F732 HydrophobicContact CB-CE2 4.42Å; V683-F732 HydrophobicContact CB-CZ 4.22Å; V683-F732 HydrophobicContact CG2-CE2 4.17Å; V683-F732 HydrophobicContact CG2-CZ 3.87Å; F727-F732 PolarHBondContact O-N 2.84Å; L730-F732 HydrophobicContact CB-CD2 3.61Å; L730-F732 HydrophobicContact CB-CE2 3.93Å; L730-F732 HydrophobicContact CD1-CD2 4.43Å; L730-F732 HydrophobicContact CD1-CE2 4.39Å; F732-C758 PolarHBondContact O-N 2.61Å |
| 733 | I | 85.9 | Confident | 70.2 | Confident | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.046 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141 | -178.1 | -59.3 | 176.9 | 0 | 0 | 0 | 108.1 | F698 L724 F727 I728 Y755 E756 | F698-I733 HydrophobicContact CD2-CD1 3.86Å; F698-I733 HydrophobicContact CE2-CD1 3.85Å; F698-I733 HydrophobicContact CG-CD1 4.33Å; F698-I733 HydrophobicContact CZ-CD1 4.28Å; F698-I733 HydrophobicContact CZ-CG2 4.34Å; L724-I733 HydrophobicContact CD2-CD1 3.85Å; F727-I733 HydrophobicContact CB-CB 4.37Å; F727-I733 HydrophobicContact CB-CD1 3.82Å; F727-I733 HydrophobicContact CB-CG1 4.11Å; F727-I733 HydrophobicContact CG-CD1 4.3Å; F727-I733 PolarHBondContact O-N 2.86Å; I728-I733 VanDerWaalsContact CA-O 3.32Å; I728-I733 WeakPolarHBondContact CA-O 3.48Å; I733-Y755 HydrophobicContact CG2-CD1 4.11Å; I733-Y755 HydrophobicContact CG2-CG 4.48Å; I733-E756 CarbonylContact C-O 3.56Å; I733-E756 WeakPolarHBondContact CA-O 3.26Å |
| 734 | R | 85.7 | Confident | 67.7 | Low | 92 Ų | 92 | 86.7 Ų | 86.7 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.1 | 172.3 | 68.4 | 179.9 | -175.9 | -153 | -8.3 | 111.7 | Y755 E756 D762 | R734-Y755 WeakPolarHBondContact O-CA 3.22Å; R734-E756 HydrophobicContact CG-CG 3.63Å; R734-E756 IonicContact CZ-OE1 2.83Å; R734-E756 PolarHBondContact N-O 3.03Å; R734-E756 IonicContact NE-OE1 3.52Å; R734-E756 PolarHBondContact NE-OE1 3.05Å; R734-E756 IonicContact NH2-OE1 3.49Å; R734-E756 PolarHBondContact NH2-OE1 3.43Å; R734-E756 PolarHBondContact O-N 3Å; R734-D762 IonicContact CZ-OD2 3.9Å; R734-D762 IonicContact NH1-OD1 3.67Å; R734-D762 IonicContact NH1-OD2 3.81Å; R734-D762 PolarHBondContact NH1-OD2 3.5Å; R734-D762 IonicContact NH2-OD2 2.81Å |
| 735 | L | 85.8 | Confident | 65.3 | Low | 81 Ų | 81 | 91.1 Ų | 91.1 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.9 | 167.9 | -168.7 | 78.5 | 0 | 0 | 0 | 107.9 | D737 E753 Y755 | L735-D737 PolarHBondContact O-N 2.8Å; L735-E753 HydrophobicContact CD1-CB 4.3Å; L735-Y755 HydrophobicContact CB-CE1 4.35Å; L735-Y755 HydrophobicContact CD1-CD1 4.05Å; L735-Y755 HydrophobicContact CD1-CD2 4.42Å; L735-Y755 HydrophobicContact CD1-CE1 3.59Å; L735-Y755 HydrophobicContact CD1-CE2 4.03Å; L735-Y755 HydrophobicContact CD1-CG 4.45Å |
| 736 | S | 78.4 | Confident | 62.8 | Low | 28 Ų | 28 | 91.7 Ų | 91.7 | 20% | 0.196 | 49% | 0.493 | C | S | . | . | trans | -75.3 | 117.1 | 176.1 | -51 | 0 | 0 | 0 | 0 | 109 | S738 I754 E756 | S736-S738 PolarHBondContact O-N 3.08Å; S736-I754 PolarHBondContact N-O 3.32Å; S736-E756 VanDerWaalsContact OG-CG 3.28Å; S736-E756 WeakPolarHBondContact OG-CG 3.34Å; S736-E756 PolarHBondContact OG-OE2 3.23Å | ||
| 737 | D | 59.8 | Low | 60.5 | Low | 139 Ų | 139 | 98.5 Ų | 98.5 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | trans | -69.4 | 115.3 | 174.8 | -77.2 | -28.3 | 0 | 0 | 0 | 109.9 | L735 H739 | L735-D737 PolarHBondContact O-N 2.8Å; D737-H739 PolarHBondContact O-N 3.33Å | ||
| 738 | S | 52.4 | Low | 58.1 | Low | 103 Ų | 103 | 104.5 Ų | 104.5 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -69.5 | 98 | 167.6 | 60.4 | 0 | 0 | 0 | 0 | 108.7 | S736 D740 | S736-S738 PolarHBondContact O-N 3.08Å; S738-D740 VanDerWaalsContact C-N 3.27Å; S738-D740 PolarHBondContact O-N 3.38Å | ||
| 739 | H | 40.7 | Very low | 56.3 | Low | 181 Ų | 181 | 104.6 Ų | 104.6 | 84% | 0.838 | 57% | 0.565 | S | S | * | * | trans | -63.9 | 89.3 | 165.9 | -95.3 | -75.1 | 0 | 0 | 0 | 109.9 | D737 | D737-H739 PolarHBondContact O-N 3.33Š| ||
| 740 | D | 38.9 | Very low | 54.8 | Low | 152 Ų | 152 | 104 Ų | 104 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | trans | -133 | 101.9 | 147.4 | -96.8 | -24.5 | 0 | 0 | 0 | 108.3 | S738 | S738-D740 VanDerWaalsContact C-N 3.27Å; S738-D740 PolarHBondContact O-N 3.38Å | ||
| 741 | S | 35.4 | Very low | 53.3 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | trans | -60.8 | 133.2 | 169.8 | 44.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 742 | N | 32.2 | Very low | 52.3 | Low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 59% | 0.594 | S | S | * | * | trans | 90.2 | 82 | 171.8 | -58.6 | -25.8 | 0 | 0 | 0 | 117.4 | ||||
| 743 | N | 37 | Very low | 52 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 80% | 0.797 | 60% | 0.602 | S | S | * | * | -173.2 | 122.8 | 117.4 | -104.1 | -22.3 | 0 | 0 | 0 | 111.3 | V745 | N743-V745 VanDerWaalsContact C-N 3.3Å; N743-V745 HydrophobicContact CB-CG2 4.44Å; N743-V745 PolarHBondContact O-N 3.29Å | |||
| 744 | H | 32.4 | Very low | 52 | Low | 193 Ų | 193 | 114.7 Ų | 114.7 | 89% | 0.894 | 61% | 0.61 | S | S | * | * | trans | -67.8 | 90.8 | 160.5 | -106.3 | -68.5 | 0 | 0 | 0 | 108.3 | ||||
| 745 | V | 36.8 | Very low | 52 | Low | 94 Ų | 94 | 111 Ų | 111 | 57% | 0.57 | 60% | 0.596 | S | S | * | * | trans | -136.1 | 113.7 | 157.9 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | N743 F747 | N743-V745 VanDerWaalsContact C-N 3.3Å; N743-V745 HydrophobicContact CB-CG2 4.44Å; N743-V745 PolarHBondContact O-N 3.29Å; V745-F747 HydrophobicContact CG1-CD2 3.81Å; V745-F747 PolarHBondContact O-N 3.06Å | ||
| 746 | N | 32.5 | Very low | 52.1 | Low | 163 Ų | 163 | 109.1 Ų | 109.1 | 87% | 0.872 | 59% | 0.585 | S | S | * | * | trans | -65.5 | 78.2 | 166.1 | -70.4 | -13.1 | 0 | 0 | 0 | 108.4 | ||||
| 747 | F | 34.1 | Very low | 52.4 | Low | 177 Ų | 177 | 109.3 Ų | 109.3 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | trans | -101 | 123.8 | 160.5 | -116.5 | -86.7 | 0 | 0 | 0 | 107.1 | V745 S749 | V745-F747 HydrophobicContact CG1-CD2 3.81Å; V745-F747 PolarHBondContact O-N 3.06Å; F747-S749 VanDerWaalsContact C-N 3.28Å; F747-S749 PolarHBondContact O-N 3.33Å | ||
| 748 | T | 36.5 | Very low | 53.5 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | trans | -56.5 | 85.9 | 172.9 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | E750 | T748-E750 PolarHBondContact O-N 3.39Š| ||
| 749 | S | 47.3 | Very low | 54.5 | Low | 61 Ų | 61 | 101.7 Ų | 101.7 | 43% | 0.427 | 54% | 0.537 | S | S | . | . | trans | -97.6 | 70.9 | 179.2 | -155.6 | 0 | 0 | 0 | 0 | 109.7 | F747 N751 L752 | F747-S749 VanDerWaalsContact C-N 3.28Å; F747-S749 PolarHBondContact O-N 3.33Å; S749-N751 PolarHBondContact O-N 2.89Å; S749-L752 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 750 | E | 50.7 | Low | 55.5 | Low | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 2 | 166.8 | -62.7 | -174.7 | 150.1 | 0 | 0 | 112.6 | T748 | T748-E750 PolarHBondContact O-N 3.39Š|
| 751 | N | 51.5 | Low | 55.9 | Low | 98 Ų | 98 | 97.2 Ų | 97.2 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -3.8 | -171.4 | -67.1 | -17.6 | 0 | 0 | 0 | 114.7 | R707 S749 | R707-N751 PolarHBondContact NH2-OD1 2.8Å; S749-N751 PolarHBondContact O-N 2.89Å |
| 752 | L | 60.1 | Low | 56.5 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | trans | -127.2 | 7.5 | -174.7 | -87.2 | 117.8 | 0 | 0 | 0 | 115.3 | S749 I754 | S749-L752 WeakPolarHBondContact OG-CD1 3.44Å; L752-I754 PolarHBondContact O-N 3.02Å; L752-I754 VanDerWaalsContact O-N 3.11Å | ||
| 753 | E | 77.2 | Confident | 57.1 | Low | 51 Ų | 51 | 92 Ų | 92 | 24% | 0.238 | 49% | 0.487 | C | S | . | . | trans | -70.6 | 108.2 | 176.9 | -68.5 | 174.1 | -167.2 | 0 | 0 | 110.9 | I706 R721 L735 Y755 | I706-E753 HydrophobicContact CB-CB 4.37Å; I706-E753 HydrophobicContact CG2-CB 3.9Å; I706-E753 PolarHBondContact N-O 2.99Å; I706-E753 VanDerWaalsContact N-O 3.1Å; R721-E753 IonicContact CZ-OE1 2.73Å; R721-E753 IonicContact CZ-OE2 3.43Å; R721-E753 IonicContact NE-OE1 3.34Å; R721-E753 IonicContact NE-OE2 2.7Å; R721-E753 PolarHBondContact NE-OE2 2.98Å; R721-E753 VanDerWaalsContact NH2-CD 3.33Å; R721-E753 IonicContact NH2-OE1 3.25Å; R721-E753 PolarHBondContact NH2-OE1 3.15Å; R721-E753 VanDerWaalsContact NH2-OE1 3.14Å; R721-E753 IonicContact NH2-OE2 3.57Å; R721-E753 PolarHBondContact NH2-OE2 3.48Å; L735-E753 HydrophobicContact CD1-CB 4.3Å; E753-Y755 HydrophobicContact CB-CE2 4.21Å | ||
| 754 | I | 85.9 | Confident | 57.3 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131 | 174.4 | -58.3 | 169.3 | 0 | 0 | 0 | 108.5 | Y705 S736 L752 | Y705-I754 HydrophobicContact CD1-CD1 4.22Å; Y705-I754 HydrophobicContact CD1-CG1 3.5Å; Y705-I754 HydrophobicContact CE1-CD1 3.45Å; Y705-I754 VanDerWaalsContact CE1-CD1 3.45Å; Y705-I754 HydrophobicContact CE1-CG1 3.27Å; Y705-I754 HydrophobicContact CG-CG1 4.33Å; S736-I754 PolarHBondContact N-O 3.32Å; L752-I754 PolarHBondContact O-N 3.02Å; L752-I754 VanDerWaalsContact O-N 3.11Å |
| 755 | Y | 87.1 | Confident | 57.7 | Low | 14 Ų | 14 | 87.1 Ų | 87.1 | 6% | 0.055 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.4 | 173.6 | -68.9 | -85.4 | 0 | 0 | 0 | 110.1 | T703 W704 I706 L724 I728 I733 R734 L735 E753 | T703-Y755 WeakPolarHBondContact CA-O 3.41Å; W704-Y755 PolarHBondContact N-O 3Å; W704-Y755 PolarHBondContact O-N 3.16Å; I706-Y755 HydrophobicContact CB-CD2 4.42Å; I706-Y755 HydrophobicContact CB-CE2 4.12Å; I706-Y755 HydrophobicContact CD1-CE2 4.09Å; I706-Y755 HydrophobicContact CG1-CE2 4.31Å; L724-Y755 HydrophobicContact CD1-CD1 4.27Å; L724-Y755 HydrophobicContact CD1-CD2 3.82Å; L724-Y755 HydrophobicContact CD1-CE1 4.27Å; L724-Y755 HydrophobicContact CD1-CE2 3.8Å; L724-Y755 HydrophobicContact CD1-CG 4.04Å; I728-Y755 HydrophobicContact CD1-CD1 4.22Å; I728-Y755 HydrophobicContact CD1-CE1 3.6Å; I733-Y755 HydrophobicContact CG2-CD1 4.11Å; I733-Y755 HydrophobicContact CG2-CG 4.48Å; R734-Y755 WeakPolarHBondContact O-CA 3.22Å; L735-Y755 HydrophobicContact CB-CE1 4.35Å; L735-Y755 HydrophobicContact CD1-CD1 4.05Å; L735-Y755 HydrophobicContact CD1-CD2 4.42Å; L735-Y755 HydrophobicContact CD1-CE1 3.59Å; L735-Y755 HydrophobicContact CD1-CE2 4.03Å; L735-Y755 HydrophobicContact CD1-CG 4.45Å; E753-Y755 HydrophobicContact CB-CE2 4.21Å |
| 756 | E | 86.7 | Confident | 58 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.7 | 179.9 | 69.7 | -175.3 | -160.9 | 0 | 0 | 112.7 | R702 T703 I733 R734 S736 | R702-E756 WeakPolarHBondContact O-CA 3.41Å; T703-E756 HydrophobicContact CG2-CB 3.56Å; I733-E756 CarbonylContact C-O 3.56Å; I733-E756 WeakPolarHBondContact CA-O 3.26Å; R734-E756 HydrophobicContact CG-CG 3.63Å; R734-E756 IonicContact CZ-OE1 2.83Å; R734-E756 PolarHBondContact N-O 3.03Å; R734-E756 IonicContact NE-OE1 3.52Å; R734-E756 PolarHBondContact NE-OE1 3.05Å; R734-E756 IonicContact NH2-OE1 3.49Å; R734-E756 PolarHBondContact NH2-OE1 3.43Å; R734-E756 PolarHBondContact O-N 3Å; S736-E756 VanDerWaalsContact OG-CG 3.28Å; S736-E756 WeakPolarHBondContact OG-CG 3.34Å; S736-E756 PolarHBondContact OG-OE2 3.23Å |
| 757 | V | 86 | Confident | 58.2 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 19% | 0.194 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 131.2 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | L678 F698 R702 | L678-V757 HydrophobicContact CD1-CG1 3.95Å; F698-V757 HydrophobicContact CB-CG2 3.97Å; F698-V757 HydrophobicContact CD1-CG2 3.67Å; F698-V757 HydrophobicContact CG-CG2 4.19Å; R702-V757 PolarHBondContact O-N 2.93Å |
| 758 | C | 82.6 | Confident | 58.3 | Low | 16 Ų | 16 | 82.8 Ų | 82.8 | 11% | 0.108 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 145.7 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.7 | L678 G731 F732 | L678-C758 HydrophobicContact CD2-CB 4.38Å; G731-C758 PolarHBondContact O-SG 3.02Å; F732-C758 PolarHBondContact O-N 2.61Å |
| 759 | D | 72.8 | Confident | 58.2 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 35% | 0.353 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 154.9 | 175.9 | -78.4 | -43.4 | 0 | 0 | 0 | 111.6 | R702 T761 D762 | R702-D759 IonicContact CZ-OD1 2.62Å; R702-D759 IonicContact NH1-OD1 3.14Å; R702-D759 PolarHBondContact NH1-OD1 3.34Å; D759-T761 PolarHBondContact O-N 3.3Å; D759-D762 PolarHBondContact O-N 3.45Å; D759-D762 VanDerWaalsContact O-N 3.09Å |
| 760 | E | 61 | Low | 57.7 | Low | 124 Ų | 124 | 90.9 Ų | 90.9 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.7 | -177 | -62.8 | -175.1 | 173.9 | 0 | 0 | 114.2 | G679 T763 | G679-E760 VanDerWaalsContact CA-OE1 3.28Å; G679-E760 WeakPolarHBondContact CA-OE1 3.43Å; E760-T763 PolarHBondContact O-OG1 3Å |
| 761 | T | 48.2 | Very low | 56.6 | Low | 115 Ų | 115 | 89.7 Ų | 89.7 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.8 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | D759 T763 | D759-T761 PolarHBondContact O-N 3.3Å; T761-T763 PolarHBondContact O-N 3.35Å |
| 762 | D | 47.3 | Very low | 55.4 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -77.7 | -1.7 | 179.8 | -68.9 | -30.9 | 0 | 0 | 0 | 112.8 | R734 D759 T764 | R734-D762 IonicContact CZ-OD2 3.9Å; R734-D762 IonicContact NH1-OD1 3.67Å; R734-D762 IonicContact NH1-OD2 3.81Å; R734-D762 PolarHBondContact NH1-OD2 3.5Å; R734-D762 IonicContact NH2-OD2 2.81Å; D759-D762 PolarHBondContact O-N 3.45Å; D759-D762 VanDerWaalsContact O-N 3.09Å; D762-T764 PolarHBondContact O-N 3.24Å |
| 763 | T | 45 | Very low | 53.8 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -88.4 | 10 | -167.8 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | E760 T761 | E760-T763 PolarHBondContact O-OG1 3Å; T761-T763 PolarHBondContact O-N 3.35Å |
| 764 | T | 41.9 | Very low | 51.4 | Low | 115 Ų | 115 | 97.5 Ų | 97.5 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -87.3 | -8.9 | 175.8 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | D762 | D762-T764 PolarHBondContact O-N 3.24Š|
| 765 | N | 41.4 | Very low | 48.5 | Very low | 123 Ų | 123 | 100.9 Ų | 100.9 | 66% | 0.658 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -114.5 | -0.4 | -173 | -73.9 | -7.1 | 0 | 0 | 0 | 115.2 | ||
| 766 | S | 41.9 | Very low | 45.8 | Very low | 53 Ų | 53 | 109.8 Ų | 109.8 | 37% | 0.371 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -92.7 | -18.4 | 179.9 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | E768 R769 | S766-E768 VanDerWaalsContact C-N 3.28Å; S766-E768 PolarHBondContact O-N 3.38Å; S766-R769 PolarHBondContact O-N 3.08Å |
| 767 | D | 37.7 | Very low | 42.8 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 72% | 0.722 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -16.3 | 177.1 | -73.8 | -15.8 | 0 | 0 | 0 | 113 | ||
| 768 | E | 36.4 | Very low | 40.1 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -10.1 | 175.4 | -75.9 | -168.4 | 159.6 | 0 | 0 | 114.5 | S766 S771 | S766-E768 VanDerWaalsContact C-N 3.28Å; S766-E768 PolarHBondContact O-N 3.38Å; E768-S771 PolarHBondContact O-OG 3.38Å |
| 769 | R | 33.2 | Very low | 37.6 | Very low | 227 Ų | 227 | 128.2 Ų | 128.2 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -96.4 | -4.5 | -178.1 | -78.2 | -175 | 176.5 | 173.9 | 0.1 | 114.9 | S766 | S766-R769 PolarHBondContact O-N 3.08Š|
| 770 | L | 36.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -100.6 | 2.2 | 173.7 | -78.6 | 155.6 | 0 | 0 | 0 | 113.3 | W796 | L770-W796 HydrophobicContact CD2-CH2 3.96Å; L770-W796 HydrophobicContact CD2-CZ2 4.3Å |
| 771 | S | 28.3 | Very low | 33.7 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -110 | 12.5 | -175.3 | 49.5 | 0 | 0 | 0 | 0 | 115.1 | E768 | E768-S771 PolarHBondContact O-OG 3.38Š|
| 772 | N | 26.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -127.4 | 55.8 | -179.9 | -112.6 | -3.4 | 0 | 0 | 0 | 112.8 | ||
| 773 | S | 25.8 | Very low | 31.7 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -160.8 | 67.7 | 165.2 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 774 | N | 27.6 | Very low | 30.9 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 164.5 | 86.5 | 147.7 | -86.1 | -20.5 | 0 | 0 | 0 | 110.1 | ||||
| 775 | S | 24.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 148.2 Ų | 148.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -89.8 | 97.2 | 156.8 | 172.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 776 | K | 29.7 | Very low | 29.6 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -142.4 | 118.6 | 144 | -87.1 | -171.6 | -178.4 | 172.4 | 0 | 107.9 | ||||
| 777 | N | 24.9 | Very low | 29 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -46.5 | 144 | -175.9 | -57.7 | -41 | 0 | 0 | 0 | 114.8 | ||||
| 778 | Y | 29.4 | Very low | 28.5 | Very low | 241 Ų | 241 | 148.6 Ų | 148.6 | 95% | 0.945 | 77% | 0.774 | S | S | * | * | -158.6 | 147.7 | 115.9 | -90.7 | -71.2 | 0 | 0 | 0 | 110.1 | |||||
| 779 | S | 28.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -90.9 | 146.5 | -161.1 | -42.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 780 | N | 25.7 | Very low | 28.2 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 59 | 108.5 | 144.8 | -58.3 | -13 | 0 | 0 | 0 | 121.1 | ||||
| 781 | D | 27.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | -176 | 128 | 118.8 | -93.8 | -23 | 0 | 0 | 0 | 110.1 | |||||
| 782 | P | 27.6 | Very low | 28 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -110.1 | 108.5 | 175.6 | 34.4 | -20.7 | 0 | 0 | 0 | 111 | ||||
| 783 | E | 24.7 | Very low | 28.3 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | trans | -179.5 | 86.7 | 151.3 | -105.6 | 172 | -161.4 | 0 | 0 | 111.2 | ||||
| 784 | K | 29.2 | Very low | 28.6 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 86% | 0.857 | 72% | 0.72 | S | S | * | * | trans | -172.7 | 128.5 | 146.3 | -110.7 | 172.1 | -178.5 | -178.4 | 0 | 110.8 | D786 | K784-D786 PolarHBondContact O-N 2.89Š| ||
| 785 | I | 30.7 | Very low | 28.9 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 86% | 0.862 | 71% | 0.707 | S | S | * | * | trans | -70.8 | 117.6 | 172.7 | -65.6 | 162.7 | 0 | 0 | 0 | 107.2 | ||||
| 786 | D | 25.7 | Very low | 29.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | trans | -150.4 | 114.9 | 167.1 | -98.9 | -34.2 | 0 | 0 | 0 | 112.6 | K784 N788 | K784-D786 PolarHBondContact O-N 2.89Å; D786-N788 PolarHBondContact O-N 3.27Å | ||
| 787 | S | 27.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | 35.7 | 8 | 124.5 | 52.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 788 | N | 27.5 | Very low | 30 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | trans | -106.1 | 12.1 | -174.1 | -76.5 | -7.9 | 0 | 0 | 0 | 116.1 | D786 I790 | D786-N788 PolarHBondContact O-N 3.27Å; N788-I790 VanDerWaalsContact C-N 3.29Å | ||
| 789 | T | 31 | Very low | 30 | Very low | 126 Ų | 126 | 119.7 Ų | 119.7 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -5.9 | 172.3 | -43 | 0 | 0 | 0 | 0 | 113 | ||
| 790 | I | 32.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -19.7 | -177.1 | -61.7 | 175.9 | 0 | 0 | 0 | 112.4 | N788 T793 | N788-I790 VanDerWaalsContact C-N 3.29Å; I790-T793 PolarHBondContact O-OG1 3.25Å |
| 791 | E | 30 | Very low | 30.5 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.9 | -26.2 | -177.4 | -67.3 | -172.5 | 160.2 | 0 | 0 | 113.8 | T793 N794 | E791-T793 VanDerWaalsContact C-N 3.33Å; E791-T793 PolarHBondContact O-N 3.01Å; E791-N794 PolarHBondContact O-N 3.44Å |
| 792 | A | 31.1 | Very low | 30.9 | Very low | 63 Ų | 63 | 118.5 Ų | 118.5 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.3 | -25.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 793 | T | 32.7 | Very low | 31.3 | Very low | 45 Ų | 45 | 118.6 Ų | 118.6 | 28% | 0.276 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -82.8 | -26 | 178.2 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | I790 E791 N795 W796 | I790-T793 PolarHBondContact O-OG1 3.25Å; E791-T793 VanDerWaalsContact C-N 3.33Å; E791-T793 PolarHBondContact O-N 3.01Å; T793-N795 PolarHBondContact O-N 2.98Å; T793-W796 PolarHBondContact O-N 3.31Å |
| 794 | N | 32 | Very low | 31.9 | Very low | 81 Ų | 81 | 111 Ų | 111 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.5 | -18.3 | 175.6 | -74.9 | -19.5 | 0 | 0 | 0 | 112.7 | E791 W796 | E791-N794 PolarHBondContact O-N 3.44Å; N794-W796 VanDerWaalsContact C-N 3.33Å |
| 795 | N | 33.1 | Very low | 32.5 | Very low | 115 Ų | 115 | 106 Ų | 106 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8.4 | 179.1 | -141.6 | 14.1 | 0 | 0 | 0 | 113.6 | T793 | T793-N795 PolarHBondContact O-N 2.98Š|
| 796 | W | 34.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 101.3 Ų | 101.3 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 8.3 | -177.2 | -70.5 | -11.8 | 0 | 0 | 0 | 114.7 | L730 L770 T793 N794 | L730-W796 HydrophobicContact CD2-CE3 4.4Å; L730-W796 HydrophobicContact CD2-CZ3 4.43Å; L770-W796 HydrophobicContact CD2-CH2 3.96Å; L770-W796 HydrophobicContact CD2-CZ2 4.3Å; T793-W796 PolarHBondContact O-N 3.31Å; N794-W796 VanDerWaalsContact C-N 3.33Å |
| 797 | M | 32.3 | Very low | 34.8 | Very low | 60 Ų | 60 | 98.2 Ų | 98.2 | 30% | 0.296 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -110.5 | -0.6 | -179.1 | -157.9 | -176.1 | 169.1 | 0 | 0 | 114.3 | L671 D686 | L671-M797 HydrophobicContact CD2-CE 4.18Å; D686-M797 HydrophobicContact CB-CE 4.43Å; D686-M797 HydrophobicContact CB-SD 3.97Å; D686-M797 VanDerWaalsContact O-CE 3.22Å; D686-M797 WeakPolarHBondContact O-CE 3.34Å |
| 798 | F | 35 | Very low | 35.9 | Very low | 124 Ų | 124 | 93.9 Ų | 93.9 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -129.5 | 1.2 | -177.9 | -73.4 | -78.1 | 0 | 0 | 0 | 115.7 | S800 | F798-S800 VanDerWaalsContact C-N 3.31Å; F798-S800 PolarHBondContact O-N 2.85Å |
| 799 | T | 30.3 | Very low | 37.1 | Very low | 105 Ų | 105 | 88.9 Ų | 88.9 | 64% | 0.644 | 48% | 0.478 | S | S | * | . | trans | -82.8 | 0.2 | -178.2 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | Q801 | T799-Q801 VanDerWaalsContact C-N 3.33Å; T799-Q801 PolarHBondContact O-N 2.88Å | ||
| 800 | S | 32 | Very low | 38.2 | Very low | 78 Ų | 78 | 85.5 Ų | 85.5 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | trans | -89.2 | 76.2 | 161.6 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | F798 D802 H803 | F798-S800 VanDerWaalsContact C-N 3.31Å; F798-S800 PolarHBondContact O-N 2.85Å; S800-D802 PolarHBondContact O-N 2.94Å; S800-H803 PolarHBondContact O-N 3.11Å | ||
| 801 | Q | 33.2 | Very low | 39.1 | Very low | 160 Ų | 160 | 81.5 Ų | 81.5 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -21.4 | 177.5 | -136 | 156.6 | -12.1 | 0 | 0 | 112.3 | T799 | T799-Q801 VanDerWaalsContact C-N 3.33Å; T799-Q801 PolarHBondContact O-N 2.88Å |
| 802 | D | 35.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 82.1 Ų | 82.1 | 78% | 0.775 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.5 | -176 | -65.5 | -22.4 | 0 | 0 | 0 | 116.6 | S800 | S800-D802 PolarHBondContact O-N 2.94Š|
| 803 | H | 36 | Very low | 41.3 | Very low | 119 Ų | 119 | 82.8 Ų | 82.8 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -15.4 | -178.8 | -72 | -39.7 | 0 | 0 | 0 | 114.1 | S800 S806 | S800-H803 PolarHBondContact O-N 3.11Å; H803-S806 PolarHBondContact O-N 2.97Å |
| 804 | S | 37.2 | Very low | 42.4 | Very low | 35 Ų | 35 | 84.5 Ų | 84.5 | 25% | 0.245 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -77.8 | -22.6 | -174.9 | 97 | 0 | 0 | 0 | 0 | 113.3 | R493 S806 | R493-S804 PolarHBondContact NH2-OG 3.39Å; S804-S806 PolarHBondContact O-N 3.25Å |
| 805 | D | 42.4 | Very low | 43.6 | Very low | 93 Ų | 93 | 84.6 Ų | 84.6 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -70.4 | -11.6 | 175.5 | -83.6 | -14.6 | 0 | 0 | 0 | 113 | R363 | R363-D805 IonicContact NH2-OD1 3.7Š|
| 806 | S | 52.1 | Low | 45.2 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -87 | -4.5 | -175.5 | -168.9 | 0 | 0 | 0 | 0 | 115.1 | L633 H803 S804 V808 | L633-S806 WeakPolarHBondContact CD1-O 3.25Å; L633-S806 WeakPolarHBondContact CD1-OG 3.43Å; H803-S806 PolarHBondContact O-N 2.97Å; S804-S806 PolarHBondContact O-N 3.25Å; S806-V808 PolarHBondContact O-N 3.49Å |
| 807 | L | 51.5 | Low | 46.7 | Very low | 52 Ų | 52 | 82.6 Ų | 82.6 | 27% | 0.272 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -65.5 | -23.7 | -175.9 | -66.6 | 168.3 | 0 | 0 | 0 | 113.3 | L669 | L669-L807 HydrophobicContact CD2-CB 4.25Å; L669-L807 HydrophobicContact CD2-CD2 3.44Å; L669-L807 VanDerWaalsContact CD2-CD2 3.44Å; L669-L807 HydrophobicContact CD2-CG 4.42Å |
| 808 | V | 52.1 | Low | 48.4 | Very low | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.006 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 133.3 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 106.2 | Q485 Q489 P630 L632 S806 S810 | Q485-V808 HydrophobicContact CG-CB 4.23Å; Q485-V808 HydrophobicContact CG-CG1 3.93Å; Q489-V808 HydrophobicContact CG-CG2 3.68Å; P630-V808 HydrophobicContact CB-CG1 3.4Å; P630-V808 VanDerWaalsContact CB-CG1 3.4Å; P630-V808 HydrophobicContact CG-CG1 4.33Å; L632-V808 HydrophobicContact CD2-CG2 4.19Å; S806-V808 PolarHBondContact O-N 3.49Å; V808-S810 PolarHBondContact O-N 3.31Å |
| 809 | A | 53.1 | Low | 50.2 | Low | 6 Ų | 6 | 79.5 Ų | 79.5 | 5% | 0.05 | 41% | 0.405 | C | S | . | . | trans | -51.5 | 127.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q485 E631 L633 | Q485-A809 PolarHBondContact NE2-O 3.28Å; E631-A809 PolarHBondContact O-N 2.95Å; L633-A809 HydrophobicContact CD2-CB 4.37Å | ||
| 810 | S | 53.4 | Low | 52.4 | Low | 54 Ų | 54 | 79.2 Ų | 79.2 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | trans | -60.8 | 149.1 | -178.5 | 82.7 | 0 | 0 | 0 | 0 | 109.4 | V808 R812 E813 R814 | V808-S810 PolarHBondContact O-N 3.31Å; S810-R812 PolarHBondContact O-N 3.41Å; S810-R812 PolarHBondContact OG-N 2.84Å; S810-E813 PolarHBondContact O-N 2.94Å; S810-E813 PolarHBondContact OG-N 3.15Å; S810-E813 VanDerWaalsContact OG-N 3.11Å; S810-R814 PolarHBondContact O-N 3.23Å | ||
| 811 | V | 50.5 | Low | 54.6 | Low | 40 Ų | 40 | 79.5 Ų | 79.5 | 24% | 0.242 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -51.1 | -31.9 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V481 E482 K815 | V481-V811 HydrophobicContact CG1-CG2 3.92Å; E482-V811 WeakPolarHBondContact OE1-CG2 3.08Å; V811-K815 WeakPolarHBondContact O-CB 3.45Å; V811-K815 WeakPolarHBondContact O-CG 3.28Å; V811-K815 PolarHBondContact O-N 3.08Å |
| 812 | R | 51.1 | Low | 57.1 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.577 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -69.1 | -46.4 | 176.7 | -154 | -179.4 | -160.7 | 153 | 15.5 | 112.8 | E359 S810 R814 K815 E816 | E359-R812 IonicContact OE1-CZ 3.96Å; E359-R812 IonicContact OE1-NH1 2.69Å; E359-R812 PolarHBondContact OE1-NH1 3.29Å; E359-R812 IonicContact OE1-NH2 3.61Å; E359-R812 PolarHBondContact OE1-NH2 3.33Å; E359-R812 IonicContact OE2-CZ 3.83Å; E359-R812 IonicContact OE2-NH1 3.69Å; E359-R812 PolarHBondContact OE2-NH1 3Å; E359-R812 IonicContact OE2-NH2 2.89Å; S810-R812 PolarHBondContact O-N 3.41Å; S810-R812 PolarHBondContact OG-N 2.84Å; R812-R814 VanDerWaalsContact C-N 3.26Å; R812-R814 PolarHBondContact O-N 3.08Å; R812-K815 PolarHBondContact O-N 3.38Å; R812-E816 WeakPolarHBondContact O-CB 3.12Å; R812-E816 PolarHBondContact O-N 3.03Å |
| 813 | E | 56.3 | Low | 59.6 | Low | 76 Ų | 76 | 67.4 Ų | 67.4 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 177.6 | -158.3 | -165.4 | 155.4 | 0 | 0 | 110.9 | S810 E816 K817 | S810-E813 PolarHBondContact O-N 2.94Å; S810-E813 PolarHBondContact OG-N 3.15Å; S810-E813 VanDerWaalsContact OG-N 3.11Å; E813-E816 PolarHBondContact O-N 3.4Å; E813-K817 WeakPolarHBondContact O-CG 3.35Å; E813-K817 PolarHBondContact O-N 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.35Å; E813-K817 IonicContact OE1-NZ 3.14Å; E813-K817 PolarHBondContact OE1-NZ 3.44Å |
| 814 | R | 56.7 | Low | 61.9 | Low | 82 Ų | 82 | 64.9 Ų | 64.9 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.8 | -49 | 175.8 | -146.3 | 176.2 | -155.3 | 179.6 | -1.8 | 112 | E631 S810 R812 E816 K817 E818 | E631-R814 IonicContact OE2-CZ 3.24Å; E631-R814 IonicContact OE2-NE 3.52Å; E631-R814 PolarHBondContact OE2-NE 3.5Å; E631-R814 IonicContact OE2-NH2 2.67Å; E631-R814 PolarHBondContact OE2-NH2 2.86Å; S810-R814 PolarHBondContact O-N 3.23Å; R812-R814 VanDerWaalsContact C-N 3.26Å; R812-R814 PolarHBondContact O-N 3.08Å; R814-E816 VanDerWaalsContact C-N 3.26Å; R814-E816 PolarHBondContact O-N 3.07Å; R814-K817 PolarHBondContact O-N 3.4Å; R814-E818 PolarHBondContact O-N 2.87Å |
| 815 | K | 57.9 | Low | 64.3 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 173.5 | -86 | -165.9 | 172 | -164.3 | 0 | 111.4 | V811 R812 E818 L819 E862 | V811-K815 WeakPolarHBondContact O-CB 3.45Å; V811-K815 WeakPolarHBondContact O-CG 3.28Å; V811-K815 PolarHBondContact O-N 3.08Å; R812-K815 PolarHBondContact O-N 3.38Å; K815-E818 PolarHBondContact O-N 3.22Å; K815-L819 VanDerWaalsContact O-CB 3.23Å; K815-L819 WeakPolarHBondContact O-CB 3.47Å; K815-L819 VanDerWaalsContact O-CD1 3.32Å; K815-L819 WeakPolarHBondContact O-CD1 3.46Å; K815-L819 WeakPolarHBondContact O-CG 3.42Å; K815-L819 PolarHBondContact O-N 3.34Å; K815-E862 IonicContact NZ-OE1 3.36Å; K815-E862 PolarHBondContact NZ-OE1 2.98Å |
| 816 | E | 66.1 | Low | 66.5 | Low | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | -179.9 | -162.4 | 153.2 | -141.8 | 0 | 0 | 111.6 | R812 E813 R814 L819 Q820 K869 | R812-E816 WeakPolarHBondContact O-CB 3.12Å; R812-E816 PolarHBondContact O-N 3.03Å; E813-E816 PolarHBondContact O-N 3.4Å; R814-E816 VanDerWaalsContact C-N 3.26Å; R814-E816 PolarHBondContact O-N 3.07Å; E816-L819 PolarHBondContact O-N 3.31Å; E816-Q820 WeakPolarHBondContact O-CB 3.47Å; E816-Q820 PolarHBondContact O-N 2.96Å; E816-K869 IonicContact OE1-NZ 2.64Å; E816-K869 PolarHBondContact OE1-NZ 3.08Å |
| 817 | K | 65.2 | Low | 68.2 | Low | 106 Ų | 106 | 62.3 Ų | 62.3 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 171.5 | -74.5 | 174.4 | -173.1 | 164.2 | 0 | 112.4 | E813 R814 Q820 V821 | E813-K817 WeakPolarHBondContact O-CG 3.35Å; E813-K817 PolarHBondContact O-N 3.23Å; E813-K817 WeakPolarHBondContact OE1-CE 3.35Å; E813-K817 IonicContact OE1-NZ 3.14Å; E813-K817 PolarHBondContact OE1-NZ 3.44Å; R814-K817 PolarHBondContact O-N 3.4Å; K817-Q820 WeakPolarHBondContact O-CB 3.26Å; K817-Q820 PolarHBondContact O-N 3.42Å; K817-V821 PolarHBondContact O-N 2.95Å |
| 818 | E | 68.5 | Low | 69.8 | Low | 79 Ų | 79 | 62.2 Ų | 62.2 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 176 | -75.2 | -178.5 | 168.2 | 0 | 0 | 112 | R814 K815 Q820 V821 F822 | R814-E818 PolarHBondContact O-N 2.87Å; K815-E818 PolarHBondContact O-N 3.22Å; E818-Q820 PolarHBondContact O-N 3.18Å; E818-V821 WeakPolarHBondContact O-CB 3.5Å; E818-V821 PolarHBondContact O-N 3.47Å; E818-F822 WeakPolarHBondContact O-CD2 3.03Å; E818-F822 PolarHBondContact O-N 3.43Å |
| 819 | L | 72.7 | Confident | 71.5 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 174.1 | -77.5 | 162.7 | 0 | 0 | 0 | 111.6 | K815 E816 F822 W823 F858 F866 | K815-L819 VanDerWaalsContact O-CB 3.23Å; K815-L819 WeakPolarHBondContact O-CB 3.47Å; K815-L819 VanDerWaalsContact O-CD1 3.32Å; K815-L819 WeakPolarHBondContact O-CD1 3.46Å; K815-L819 WeakPolarHBondContact O-CG 3.42Å; K815-L819 PolarHBondContact O-N 3.34Å; E816-L819 PolarHBondContact O-N 3.31Å; L819-F822 PolarHBondContact O-N 3.38Å; L819-W823 PolarHBondContact O-N 3.19Å; L819-F858 HydrophobicContact CD2-CE2 3.39Å; L819-F858 HydrophobicContact CD2-CZ 3.4Å; L819-F858 VanDerWaalsContact CD2-CZ 3.4Å; L819-F858 HydrophobicContact CG-CE2 4.32Å; L819-F866 HydrophobicContact CB-CD2 4.12Å; L819-F866 HydrophobicContact CB-CE2 3.71Å; L819-F866 HydrophobicContact CB-CZ 4.05Å; L819-F866 HydrophobicContact CD1-CD2 4.29Å; L819-F866 HydrophobicContact CD2-CB 4Å; L819-F866 HydrophobicContact CD2-CD1 4.14Å; L819-F866 HydrophobicContact CD2-CD2 3.62Å; L819-F866 HydrophobicContact CD2-CE2 4.06Å; L819-F866 HydrophobicContact CD2-CG 3.65Å; L819-F866 HydrophobicContact CD2-CZ 4.47Å; L819-F866 HydrophobicContact CG-CD2 4.24Å; L819-F866 HydrophobicContact CG-CE2 4.35Å; L819-F866 VanDerWaalsContact O-CZ 3.31Å; L819-F866 WeakPolarHBondContact O-CZ 3.21Å |
| 820 | Q | 76.9 | Confident | 73.2 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.7 | -34.2 | 175.4 | -148.5 | 74.1 | -1.8 | 0 | 0 | 112.6 | E816 K817 E818 W823 S824 | E816-Q820 WeakPolarHBondContact O-CB 3.47Å; E816-Q820 PolarHBondContact O-N 2.96Å; K817-Q820 WeakPolarHBondContact O-CB 3.26Å; K817-Q820 PolarHBondContact O-N 3.42Å; E818-Q820 PolarHBondContact O-N 3.18Å; Q820-W823 WeakPolarHBondContact O-CB 3.08Å; Q820-W823 PolarHBondContact O-N 3.28Å; Q820-S824 PolarHBondContact O-N 3.32Å |
| 821 | V | 78.6 | Confident | 74.8 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 171.2 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | K817 E818 W823 S824 Y825 | K817-V821 PolarHBondContact O-N 2.95Å; E818-V821 WeakPolarHBondContact O-CB 3.5Å; E818-V821 PolarHBondContact O-N 3.47Å; V821-W823 VanDerWaalsContact C-N 3.25Å; V821-W823 PolarHBondContact O-N 3Å; V821-S824 PolarHBondContact O-N 3.26Å; V821-S824 VanDerWaalsContact O-N 3.12Å; V821-S824 PolarHBondContact O-OG 3.3Å; V821-Y825 PolarHBondContact O-N 3.46Å |
| 822 | F | 84.8 | Confident | 76.5 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 174.4 | -64.6 | -43.4 | 0 | 0 | 0 | 112.4 | E818 L819 S824 Y825 I826 L845 A849 L850 F858 | E818-F822 WeakPolarHBondContact O-CD2 3.03Å; E818-F822 PolarHBondContact O-N 3.43Å; L819-F822 PolarHBondContact O-N 3.38Å; F822-S824 VanDerWaalsContact C-N 3.28Å; F822-S824 PolarHBondContact O-N 2.62Å; F822-Y825 WeakPolarHBondContact O-CB 3.42Å; F822-Y825 PolarHBondContact O-N 3.18Å; F822-Y825 VanDerWaalsContact O-N 3.13Å; F822-I826 HydrophobicContact CB-CD1 4.48Å; F822-I826 VanDerWaalsContact O-CG1 3.26Å; F822-I826 WeakPolarHBondContact O-CG1 3.5Å; F822-I826 PolarHBondContact O-N 2.9Å; F822-L845 HydrophobicContact CB-CD2 4.11Å; F822-L845 HydrophobicContact CD1-CD2 3.75Å; F822-L845 HydrophobicContact CG-CD2 4.22Å; F822-A849 HydrophobicContact CD1-CB 3.68Å; F822-A849 HydrophobicContact CE1-CB 3.59Å; F822-L850 HydrophobicContact CE1-CG 4.2Å; F822-L850 HydrophobicContact CZ-CD1 4.4Å; F822-L850 HydrophobicContact CZ-CD2 4.19Å; F822-L850 HydrophobicContact CZ-CG 4.09Å; F822-F858 AromaticContact CD2-CD2 3.94Å; F822-F858 HydrophobicContact CD2-CD2 3.94Å; F822-F858 AromaticContact CD2-CE2 3.67Å; F822-F858 HydrophobicContact CD2-CE2 3.67Å; F822-F858 HydrophobicContact CD2-CZ 4.05Å; F822-F858 AromaticContact CE2-CD2 3.46Å; F822-F858 HydrophobicContact CE2-CD2 3.46Å; F822-F858 VanDerWaalsContact CE2-CD2 3.46Å; F822-F858 AromaticContact CE2-CE2 3.67Å; F822-F858 HydrophobicContact CE2-CE2 3.67Å; F822-F858 HydrophobicContact CE2-CG 4.07Å; F822-F858 HydrophobicContact CE2-CZ 4.41Å; F822-F858 HydrophobicContact CZ-CD2 4.34Å |
| 823 | W | 88.2 | Confident | 78.1 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.4 | -41.1 | 174.4 | -178.7 | -113.3 | 0 | 0 | 0 | 112.3 | L819 Q820 V821 Y825 I826 T827 F866 K870 Q875 L876 | L819-W823 PolarHBondContact O-N 3.19Å; Q820-W823 WeakPolarHBondContact O-CB 3.08Å; Q820-W823 PolarHBondContact O-N 3.28Å; V821-W823 VanDerWaalsContact C-N 3.25Å; V821-W823 PolarHBondContact O-N 3Å; W823-Y825 VanDerWaalsContact C-N 3.34Å; W823-Y825 PolarHBondContact O-N 2.69Å; W823-I826 HydrophobicContact CZ3-CG2 4.4Å; W823-I826 PolarHBondContact O-N 3.19Å; W823-T827 PolarHBondContact NE1-OG1 3.01Å; W823-T827 VanDerWaalsContact O-CB 3.3Å; W823-T827 WeakPolarHBondContact O-CB 3.32Å; W823-T827 PolarHBondContact O-N 3.32Å; W823-T827 PolarHBondContact O-OG1 2.97Å; W823-F866 HydrophobicContact CB-CE1 4.29Å; W823-F866 HydrophobicContact CB-CZ 4.09Å; W823-F866 HydrophobicContact CE3-CE1 4.17Å; W823-K870 HydrophobicContact CD2-CD 3.95Å; W823-K870 HydrophobicContact CD2-CG 4.49Å; W823-K870 HydrophobicContact CE3-CD 3.72Å; W823-K870 HydrophobicContact CE3-CG 3.77Å; W823-K870 HydrophobicContact CH2-CB 4.13Å; W823-K870 HydrophobicContact CH2-CD 3.82Å; W823-K870 HydrophobicContact CH2-CG 4.11Å; W823-K870 HydrophobicContact CZ2-CD 4.05Å; W823-K870 HydrophobicContact CZ3-CB 3.83Å; W823-K870 HydrophobicContact CZ3-CD 3.65Å; W823-K870 HydrophobicContact CZ3-CG 3.55Å; W823-Q875 HydrophobicContact CH2-CB 3.8Å; W823-Q875 HydrophobicContact CZ2-CB 3.74Å; W823-Q875 HydrophobicContact CZ2-CG 4.41Å; W823-L876 HydrophobicContact CH2-CD1 4.07Å; W823-L876 HydrophobicContact CH2-CG 4.01Å; W823-L876 HydrophobicContact CZ3-CD1 3.73Å; W823-L876 HydrophobicContact CZ3-CG 4.18Å |
| 824 | S | 84.8 | Confident | 79.4 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.1 | 73 | 0 | 0 | 0 | 0 | 112.4 | Q820 V821 F822 A828 | Q820-S824 PolarHBondContact O-N 3.32Å; V821-S824 PolarHBondContact O-N 3.26Å; V821-S824 VanDerWaalsContact O-N 3.12Å; V821-S824 PolarHBondContact O-OG 3.3Å; F822-S824 VanDerWaalsContact C-N 3.28Å; F822-S824 PolarHBondContact O-N 2.62Å; S824-A828 WeakPolarHBondContact O-CB 3.42Å; S824-A828 PolarHBondContact O-N 3.43Å |
| 825 | Y | 87.3 | Confident | 80.9 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 40% | 0.404 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 174.6 | -89.8 | -88.4 | 0 | 0 | 0 | 112.6 | V821 F822 W823 T827 A828 M829 F848 A849 | V821-Y825 PolarHBondContact O-N 3.46Å; F822-Y825 WeakPolarHBondContact O-CB 3.42Å; F822-Y825 PolarHBondContact O-N 3.18Å; F822-Y825 VanDerWaalsContact O-N 3.13Å; W823-Y825 VanDerWaalsContact C-N 3.34Å; W823-Y825 PolarHBondContact O-N 2.69Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 3.11Å; Y825-A828 PolarHBondContact O-N 3.39Å; Y825-M829 WeakPolarHBondContact O-CB 3.4Å; Y825-M829 PolarHBondContact O-N 2.81Å; Y825-F848 HydrophobicContact CE1-CB 4.19Å; Y825-A849 HydrophobicContact CD1-CB 4.47Å; Y825-A849 HydrophobicContact CD2-CB 4.16Å; Y825-A849 HydrophobicContact CE2-CB 4.33Å; Y825-A849 HydrophobicContact CG-CB 4.22Å |
| 826 | I | 88.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 178.1 | -66.4 | 164.2 | 0 | 0 | 0 | 109.6 | F822 W823 M829 L830 I841 L845 L863 F866 L867 | F822-I826 HydrophobicContact CB-CD1 4.48Å; F822-I826 VanDerWaalsContact O-CG1 3.26Å; F822-I826 WeakPolarHBondContact O-CG1 3.5Å; F822-I826 PolarHBondContact O-N 2.9Å; W823-I826 HydrophobicContact CZ3-CG2 4.4Å; W823-I826 PolarHBondContact O-N 3.19Å; I826-M829 PolarHBondContact O-N 2.88Å; I826-L830 HydrophobicContact CG2-CD1 3.64Å; I826-L830 HydrophobicContact CG2-CG 4.19Å; I826-L830 WeakPolarHBondContact O-CB 3.45Å; I826-L830 VanDerWaalsContact O-CG 3.31Å; I826-L830 WeakPolarHBondContact O-CG 3.36Å; I826-L830 PolarHBondContact O-N 2.86Å; I826-I841 HydrophobicContact CD1-CG2 4.41Å; I826-I841 HydrophobicContact CG1-CG2 3.98Å; I826-L845 HydrophobicContact CD1-CD1 4.01Å; I826-L845 HydrophobicContact CG1-CD1 3.96Å; I826-L845 HydrophobicContact CG1-CD2 4.19Å; I826-L845 HydrophobicContact CG1-CG 4.41Å; I826-L863 HydrophobicContact CD1-CD1 4.14Å; I826-F866 HydrophobicContact CD1-CD1 4.39Å; I826-F866 HydrophobicContact CD1-CE1 4.23Å; I826-L867 HydrophobicContact CD1-CD2 4.27Å; I826-L867 HydrophobicContact CG2-CD2 4.3Å |
| 827 | T | 88.1 | Confident | 83.5 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 177.5 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | W823 Y825 M829 L830 T831 L885 | W823-T827 PolarHBondContact NE1-OG1 3.01Å; W823-T827 VanDerWaalsContact O-CB 3.3Å; W823-T827 WeakPolarHBondContact O-CB 3.32Å; W823-T827 PolarHBondContact O-N 3.32Å; W823-T827 PolarHBondContact O-OG1 2.97Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 3.11Å; T827-M829 VanDerWaalsContact C-N 3.31Å; T827-M829 PolarHBondContact O-N 3.39Å; T827-L830 PolarHBondContact O-N 3.4Å; T827-T831 VanDerWaalsContact O-CB 3.28Å; T827-T831 WeakPolarHBondContact O-CB 3.39Å; T827-T831 PolarHBondContact O-N 2.69Å; T827-T831 PolarHBondContact O-OG1 2.89Å; T827-L885 HydrophobicContact CG2-CD1 4.04Å; T827-L885 HydrophobicContact CG2-CD2 4.09Å; T827-L885 WeakPolarHBondContact O-CD1 3.49Å |
| 828 | A | 85.5 | Confident | 84.7 | Confident | 49 Ų | 49 | 51.6 Ų | 51.6 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S824 Y825 N832 | S824-A828 WeakPolarHBondContact O-CB 3.42Å; S824-A828 PolarHBondContact O-N 3.43Å; Y825-A828 PolarHBondContact O-N 3.39Å; A828-N832 PolarHBondContact O-N 3.37Å; A828-N832 VanDerWaalsContact O-N 3.12Å; A828-N832 PolarHBondContact O-ND2 3.5Å |
| 829 | M | 87.7 | Confident | 85.6 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 178.8 | -178.5 | -172.2 | -47.3 | 0 | 0 | 111.7 | Y825 I826 T827 T831 N832 L833 I841 M844 | Y825-M829 WeakPolarHBondContact O-CB 3.4Å; Y825-M829 PolarHBondContact O-N 2.81Å; I826-M829 PolarHBondContact O-N 2.88Å; T827-M829 VanDerWaalsContact C-N 3.31Å; T827-M829 PolarHBondContact O-N 3.39Å; M829-T831 VanDerWaalsContact C-N 3.33Å; M829-N832 PolarHBondContact O-N 2.87Å; M829-L833 HydrophobicContact CG-CD1 3.71Å; M829-L833 WeakPolarHBondContact O-CB 3.29Å; M829-L833 PolarHBondContact O-N 3.5Å; M829-I841 HydrophobicContact SD-CG1 4.26Å; M829-M844 HydrophobicContact CE-CB 3.34Å; M829-M844 HydrophobicContact CE-CG 4.27Å; M829-M844 HydrophobicContact CE-SD 4Å; M829-M844 HydrophobicContact CG-SD 3.84Å; M829-M844 HydrophobicContact SD-CB 3.83Å; M829-M844 HydrophobicContact SD-CG 4.27Å; M829-M844 HydrophobicContact SD-SD 3.59Å |
| 830 | L | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.1 | -29.3 | 179 | -68.5 | 175.9 | 0 | 0 | 0 | 112.2 | I826 T827 N832 G834 I841 L876 Y883 L885 | I826-L830 HydrophobicContact CG2-CD1 3.64Å; I826-L830 HydrophobicContact CG2-CG 4.19Å; I826-L830 WeakPolarHBondContact O-CB 3.45Å; I826-L830 VanDerWaalsContact O-CG 3.31Å; I826-L830 WeakPolarHBondContact O-CG 3.36Å; I826-L830 PolarHBondContact O-N 2.86Å; T827-L830 PolarHBondContact O-N 3.4Å; L830-N832 VanDerWaalsContact C-N 3.32Å; L830-G834 CarbonylContact O-C 3.59Å; L830-G834 WeakPolarHBondContact O-CA 3.47Å; L830-G834 PolarHBondContact O-N 2.94Å; L830-I841 HydrophobicContact CD2-CD1 4.45Å; L830-L876 HydrophobicContact CD1-CD2 3.44Å; L830-L876 VanDerWaalsContact CD1-CD2 3.44Å; L830-Y883 WeakPolarHBondContact CD2-O 3.4Å; L830-L885 HydrophobicContact CB-CD1 3.63Å; L830-L885 HydrophobicContact CB-CG 3.89Å; L830-L885 HydrophobicContact CD1-CG 4.35Å |
| 831 | T | 87.1 | Confident | 86.9 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.5 | -39.8 | 172.6 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | T827 M829 L885 | T827-T831 VanDerWaalsContact O-CB 3.28Å; T827-T831 WeakPolarHBondContact O-CB 3.39Å; T827-T831 PolarHBondContact O-N 2.69Å; T827-T831 PolarHBondContact O-OG1 2.89Å; M829-T831 VanDerWaalsContact C-N 3.33Å; T831-L885 WeakPolarHBondContact OG1-CD1 3.5Å |
| 832 | N | 85.9 | Confident | 87.3 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -83.6 | -37.6 | -178.8 | -72.6 | -53.3 | 0 | 0 | 0 | 113.9 | A828 M829 L830 | A828-N832 PolarHBondContact O-N 3.37Å; A828-N832 VanDerWaalsContact O-N 3.12Å; A828-N832 PolarHBondContact O-ND2 3.5Å; M829-N832 PolarHBondContact O-N 2.87Å; L830-N832 VanDerWaalsContact C-N 3.32Å |
| 833 | L | 84.1 | Confident | 87.3 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -94.2 | -10.9 | -176.7 | -65.8 | 171.3 | 0 | 0 | 0 | 113.3 | M829 S835 M844 | M829-L833 HydrophobicContact CG-CD1 3.71Å; M829-L833 WeakPolarHBondContact O-CB 3.29Å; M829-L833 PolarHBondContact O-N 3.5Å; L833-S835 PolarHBondContact O-N 3.26Å; L833-M844 HydrophobicContact CD1-CE 4.04Å; L833-M844 HydrophobicContact CD1-SD 3.87Å |
| 834 | G | 83.6 | Confident | 87.1 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 76.8 | -68 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L830 K884 | L830-G834 CarbonylContact O-C 3.59Å; L830-G834 WeakPolarHBondContact O-CA 3.47Å; L830-G834 PolarHBondContact O-N 2.94Å; G834-K884 WeakPolarHBondContact O-CG 3.38Å |
| 835 | S | 88 | Confident | 87 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.8 | -177.9 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | L833 M882 Y883 | L833-S835 PolarHBondContact O-N 3.26Å; S835-M882 VanDerWaalsContact O-CE 3.3Å; S835-M882 WeakPolarHBondContact O-CE 3.41Å; S835-Y883 CarbonylContact C-O 3.44Å; S835-Y883 WeakPolarHBondContact CA-O 3.45Å |
| 836 | S | 88.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 141.9 | -175.3 | -150.8 | 0 | 0 | 0 | 0 | 112.3 | Y883 | S836-Y883 PolarHBondContact N-O 3.46Å; S836-Y883 PolarHBondContact O-N 3.15Å |
| 837 | S | 91.4 | Very high | 86 | Confident | 35 Ų | 35 | 60 Ų | 60 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | trans | -73.2 | 156.5 | 177.4 | 57 | 0 | 0 | 0 | 0 | 111.7 | D839 R840 I841 M882 | S837-D839 VanDerWaalsContact C-N 3.3Å; S837-D839 PolarHBondContact O-N 2.86Å; S837-R840 PolarHBondContact O-N 3.43Å; S837-R840 WeakPolarHBondContact OG-CB 3.48Å; S837-I841 WeakPolarHBondContact O-CG1 3.37Å; S837-I841 PolarHBondContact O-N 3.36Å; S837-M882 PolarHBondContact N-SD 3Å | ||
| 838 | L | 89.5 | Confident | 85.5 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -48.2 | -49.7 | 176.9 | -172.4 | 70.9 | 0 | 0 | 0 | 112.5 | R840 I841 H842 R860 L863 R864 L867 Y883 | L838-R840 VanDerWaalsContact C-N 3.28Å; L838-R840 PolarHBondContact O-N 2.9Å; L838-I841 PolarHBondContact O-N 3.09Å; L838-H842 WeakPolarHBondContact O-CB 3.28Å; L838-H842 PolarHBondContact O-N 2.87Å; L838-R860 HydrophobicContact CD2-CG 3.94Å; L838-R860 HydrophobicContact CG-CG 4.42Å; L838-L863 HydrophobicContact CD1-CD2 3.94Å; L838-L863 HydrophobicContact CD1-CG 4.01Å; L838-R864 HydrophobicContact CD1-CB 4.24Å; L838-R864 HydrophobicContact CD2-CB 4.36Å; L838-L867 HydrophobicContact CD1-CD1 3.66Å; L838-Y883 HydrophobicContact CB-CE2 3.93Å; L838-Y883 HydrophobicContact CD1-CE2 4.03Å |
| 839 | D | 86.9 | Confident | 84.7 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | -175 | -62.9 | -46.9 | 0 | 0 | 0 | 112.1 | S837 S843 R860 | S837-D839 VanDerWaalsContact C-N 3.3Å; S837-D839 PolarHBondContact O-N 2.86Å; D839-S843 VanDerWaalsContact O-CB 3.29Å; D839-S843 WeakPolarHBondContact O-CB 3.42Å; D839-S843 PolarHBondContact O-N 3.22Å; D839-S843 PolarHBondContact O-OG 3.32Å; D839-R860 IonicContact OD1-CZ 3.64Å; D839-R860 IonicContact OD1-NH1 3.8Å; D839-R860 PolarHBondContact OD1-NH1 3.16Å; D839-R860 IonicContact OD2-NH1 3.54Å |
| 840 | R | 87.9 | Confident | 83.7 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.7 | -39.1 | 178.5 | -165 | 169.8 | -173.8 | 163.5 | 0.8 | 111.7 | S837 L838 M844 | S837-R840 PolarHBondContact O-N 3.43Å; S837-R840 WeakPolarHBondContact OG-CB 3.48Å; L838-R840 VanDerWaalsContact C-N 3.28Å; L838-R840 PolarHBondContact O-N 2.9Å; R840-M844 WeakPolarHBondContact O-CB 3.3Å; R840-M844 WeakPolarHBondContact O-CG 3.2Å; R840-M844 PolarHBondContact O-N 3.37Å |
| 841 | I | 89.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 172.6 | -62.9 | 171.4 | 0 | 0 | 0 | 109.7 | I826 M829 L830 S837 L838 S843 M844 L845 L863 L867 Y883 | I826-I841 HydrophobicContact CD1-CG2 4.41Å; I826-I841 HydrophobicContact CG1-CG2 3.98Å; M829-I841 HydrophobicContact SD-CG1 4.26Å; L830-I841 HydrophobicContact CD2-CD1 4.45Å; S837-I841 WeakPolarHBondContact O-CG1 3.37Å; S837-I841 PolarHBondContact O-N 3.36Å; L838-I841 PolarHBondContact O-N 3.09Å; I841-S843 PolarHBondContact O-N 3.06Å; I841-M844 PolarHBondContact O-N 2.95Å; I841-L845 HydrophobicContact CG2-CD1 3.77Å; I841-L845 HydrophobicContact CG2-CG 4.33Å; I841-L845 WeakPolarHBondContact O-CB 3.46Å; I841-L845 WeakPolarHBondContact O-CG 3.37Å; I841-L845 PolarHBondContact O-N 3.32Å; I841-L863 HydrophobicContact CB-CD2 4.34Å; I841-L863 HydrophobicContact CG2-CD1 4.24Å; I841-L863 HydrophobicContact CG2-CD2 4.02Å; I841-L867 HydrophobicContact CD1-CD1 4.26Å; I841-Y883 HydrophobicContact CD1-CD2 3.9Å; I841-Y883 HydrophobicContact CD1-CG 4.16Å |
| 842 | H | 86.7 | Confident | 80 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 15% | 0.153 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 178.3 | -168.6 | -98.7 | 0 | 0 | 0 | 111.8 | L838 M844 L845 R846 F858 L863 | L838-H842 WeakPolarHBondContact O-CB 3.28Å; L838-H842 PolarHBondContact O-N 2.87Å; H842-M844 PolarHBondContact O-N 2.96Å; H842-L845 PolarHBondContact O-N 2.9Å; H842-R846 WeakPolarHBondContact O-CB 3.44Å; H842-R846 PolarHBondContact O-N 3.33Å; H842-F858 PolarHBondContact NE2-O 3.39Å; H842-L863 HydrophobicContact CB-CD2 3.65Å |
| 843 | S | 85.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 67.1 Ų | 67.1 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | D839 I841 R846 M847 | D839-S843 VanDerWaalsContact O-CB 3.29Å; D839-S843 WeakPolarHBondContact O-CB 3.42Å; D839-S843 PolarHBondContact O-N 3.22Å; D839-S843 PolarHBondContact O-OG 3.32Å; I841-S843 PolarHBondContact O-N 3.06Å; S843-R846 WeakPolarHBondContact O-CB 3.21Å; S843-R846 PolarHBondContact O-N 3.14Å; S843-M847 PolarHBondContact O-N 3.24Å |
| 844 | M | 83.7 | Confident | 75.8 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 25% | 0.251 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 178.5 | -80.1 | -167.5 | 158.9 | 0 | 0 | 112.5 | M829 L833 R840 I841 H842 R846 M847 F848 | M829-M844 HydrophobicContact CE-CB 3.34Å; M829-M844 HydrophobicContact CE-CG 4.27Å; M829-M844 HydrophobicContact CE-SD 4Å; M829-M844 HydrophobicContact CG-SD 3.84Å; M829-M844 HydrophobicContact SD-CB 3.83Å; M829-M844 HydrophobicContact SD-CG 4.27Å; M829-M844 HydrophobicContact SD-SD 3.59Å; L833-M844 HydrophobicContact CD1-CE 4.04Å; L833-M844 HydrophobicContact CD1-SD 3.87Å; R840-M844 WeakPolarHBondContact O-CB 3.3Å; R840-M844 WeakPolarHBondContact O-CG 3.2Å; R840-M844 PolarHBondContact O-N 3.37Å; I841-M844 PolarHBondContact O-N 2.95Å; H842-M844 PolarHBondContact O-N 2.96Å; M844-R846 VanDerWaalsContact C-N 3.28Å; M844-R846 PolarHBondContact O-N 3.35Å; M844-M847 PolarHBondContact O-N 3.5Å; M844-F848 HydrophobicContact CB-CD2 4.12Å; M844-F848 HydrophobicContact CB-CE2 4.41Å; M844-F848 HydrophobicContact CG-CD2 4.36Å; M844-F848 HydrophobicContact CG-CE2 4.15Å; M844-F848 WeakPolarHBondContact O-CB 3.31Å; M844-F848 VanDerWaalsContact O-CD2 3.25Å; M844-F848 WeakPolarHBondContact O-CD2 3.38Å; M844-F848 PolarHBondContact O-N 3.42Å |
| 845 | L | 83.1 | Confident | 73.8 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 172.8 | -76.3 | 169.6 | 0 | 0 | 0 | 110.9 | F822 I826 I841 H842 M847 A849 L850 L863 | F822-L845 HydrophobicContact CB-CD2 4.11Å; F822-L845 HydrophobicContact CD1-CD2 3.75Å; F822-L845 HydrophobicContact CG-CD2 4.22Å; I826-L845 HydrophobicContact CD1-CD1 4.01Å; I826-L845 HydrophobicContact CG1-CD1 3.96Å; I826-L845 HydrophobicContact CG1-CD2 4.19Å; I826-L845 HydrophobicContact CG1-CG 4.41Å; I841-L845 HydrophobicContact CG2-CD1 3.77Å; I841-L845 HydrophobicContact CG2-CG 4.33Å; I841-L845 WeakPolarHBondContact O-CB 3.46Å; I841-L845 WeakPolarHBondContact O-CG 3.37Å; I841-L845 PolarHBondContact O-N 3.32Å; H842-L845 PolarHBondContact O-N 2.9Å; L845-M847 VanDerWaalsContact C-N 3.3Å; L845-M847 PolarHBondContact O-N 3.24Å; L845-A849 HydrophobicContact CD2-CB 3.96Å; L845-A849 WeakPolarHBondContact O-CA 3.26Å; L845-A849 WeakPolarHBondContact O-CB 3.47Å; L845-A849 PolarHBondContact O-N 3.02Å; L845-L850 PolarHBondContact O-N 3.31Å; L845-L863 HydrophobicContact CD1-CD1 3.83Å; L845-L863 HydrophobicContact CD1-CD2 4.43Å |
| 846 | R | 78.4 | Confident | 71.7 | Confident | 170 Ų | 170 | 70.4 Ų | 70.4 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 175.7 | -157.5 | 177.6 | -175.7 | 172.7 | 3.5 | 112.2 | H842 S843 M844 | H842-R846 WeakPolarHBondContact O-CB 3.44Å; H842-R846 PolarHBondContact O-N 3.33Å; S843-R846 WeakPolarHBondContact O-CB 3.21Å; S843-R846 PolarHBondContact O-N 3.14Å; M844-R846 VanDerWaalsContact C-N 3.28Å; M844-R846 PolarHBondContact O-N 3.35Å |
| 847 | M | 77.8 | Confident | 70 | Confident | 149 Ų | 149 | 73.5 Ų | 73.5 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -77 | -42.3 | -179.5 | -130.4 | -165.7 | -158.5 | 0 | 0 | 113.6 | S843 M844 L845 | S843-M847 PolarHBondContact O-N 3.24Å; M844-M847 PolarHBondContact O-N 3.5Å; L845-M847 VanDerWaalsContact C-N 3.3Å; L845-M847 PolarHBondContact O-N 3.24Å |
| 848 | F | 76.1 | Confident | 68.5 | Low | 122 Ų | 122 | 73.1 Ų | 73.1 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -107.2 | -31.3 | -167.5 | -63.2 | -65.7 | 0 | 0 | 0 | 114.3 | Y825 M844 | Y825-F848 HydrophobicContact CE1-CB 4.19Å; M844-F848 HydrophobicContact CB-CD2 4.12Å; M844-F848 HydrophobicContact CB-CE2 4.41Å; M844-F848 HydrophobicContact CG-CD2 4.36Å; M844-F848 HydrophobicContact CG-CE2 4.15Å; M844-F848 WeakPolarHBondContact O-CB 3.31Å; M844-F848 VanDerWaalsContact O-CD2 3.25Å; M844-F848 WeakPolarHBondContact O-CD2 3.38Å; M844-F848 PolarHBondContact O-N 3.42Å |
| 849 | A | 69.3 | Low | 67.6 | Low | 31 Ų | 31 | 76.6 Ų | 76.6 | 26% | 0.256 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -33.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F822 Y825 L845 G851 | F822-A849 HydrophobicContact CD1-CB 3.68Å; F822-A849 HydrophobicContact CE1-CB 3.59Å; Y825-A849 HydrophobicContact CD1-CB 4.47Å; Y825-A849 HydrophobicContact CD2-CB 4.16Å; Y825-A849 HydrophobicContact CE2-CB 4.33Å; Y825-A849 HydrophobicContact CG-CB 4.22Å; L845-A849 HydrophobicContact CD2-CB 3.96Å; L845-A849 WeakPolarHBondContact O-CA 3.26Å; L845-A849 WeakPolarHBondContact O-CB 3.47Å; L845-A849 PolarHBondContact O-N 3.02Å; A849-G851 PolarHBondContact O-N 3.36Å |
| 850 | L | 66.8 | Low | 67.1 | Low | 31 Ų | 31 | 78.1 Ų | 78.1 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -97.1 | 43.2 | -179.8 | -74.8 | 148.1 | 0 | 0 | 0 | 112.3 | F822 L845 S852 L856 F858 | F822-L850 HydrophobicContact CE1-CG 4.2Å; F822-L850 HydrophobicContact CZ-CD1 4.4Å; F822-L850 HydrophobicContact CZ-CD2 4.19Å; F822-L850 HydrophobicContact CZ-CG 4.09Å; L845-L850 PolarHBondContact O-N 3.31Å; L850-S852 PolarHBondContact O-N 3.44Å; L850-L856 WeakPolarHBondContact CD2-O 3.41Å; L850-F858 HydrophobicContact CD1-CB 3.92Å |
| 851 | G | 50.7 | Low | 66.5 | Low | 41 Ų | 41 | 76.4 Ų | 76.4 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | trans | -40.8 | 145.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A849 T853 S854 | A849-G851 PolarHBondContact O-N 3.36Å; G851-T853 PolarHBondContact O-N 2.96Å; G851-S854 PolarHBondContact O-N 3.3Å | ||
| 852 | S | 47.6 | Very low | 66 | Low | 132 Ų | 132 | 80 Ų | 80 | 92% | 0.923 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 5.9 | -160.2 | 48.3 | 0 | 0 | 0 | 0 | 119.1 | L850 | L850-S852 PolarHBondContact O-N 3.44Š|
| 853 | T | 39.7 | Very low | 65.8 | Low | 137 Ų | 137 | 78.4 Ų | 78.4 | 84% | 0.84 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -5.7 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | G851 | G851-T853 PolarHBondContact O-N 2.96Š|
| 854 | S | 42.1 | Very low | 65.8 | Low | 70 Ų | 70 | 80.5 Ų | 80.5 | 49% | 0.49 | 44% | 0.444 | S | S | . | . | trans | -93 | 111.8 | 174.1 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | G851 L856 | G851-S854 PolarHBondContact O-N 3.3Å; S854-L856 PolarHBondContact O-N 3.24Å | ||
| 855 | S | 42.3 | Very low | 65.8 | Low | 91 Ų | 91 | 86.9 Ų | 86.9 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | trans | -78.7 | 3.3 | -173.9 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | K477 | K477-S855 PolarHBondContact NZ-O 3.26Š| ||
| 856 | L | 43.4 | Very low | 65.9 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 37% | 0.372 | 47% | 0.468 | S | S | . | . | trans | -99.6 | 113.5 | 176.7 | -119.2 | 81.3 | 0 | 0 | 0 | 110.7 | L850 S854 | L850-L856 WeakPolarHBondContact CD2-O 3.41Å; S854-L856 PolarHBondContact O-N 3.24Å | ||
| 857 | G | 51.8 | Low | 66.3 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 68% | 0.68 | 44% | 0.438 | S | S | * | . | trans | -77.3 | 126.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N859 | G857-N859 PolarHBondContact O-N 3.37Š| ||
| 858 | F | 61.5 | Low | 66.8 | Low | 27 Ų | 27 | 75.4 Ų | 75.4 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | trans | -82.3 | 110.5 | 171 | -158.2 | -107 | 0 | 0 | 0 | 109 | L819 F822 H842 L850 L863 | L819-F858 HydrophobicContact CD2-CE2 3.39Å; L819-F858 HydrophobicContact CD2-CZ 3.4Å; L819-F858 VanDerWaalsContact CD2-CZ 3.4Å; L819-F858 HydrophobicContact CG-CE2 4.32Å; F822-F858 AromaticContact CD2-CD2 3.94Å; F822-F858 HydrophobicContact CD2-CD2 3.94Å; F822-F858 AromaticContact CD2-CE2 3.67Å; F822-F858 HydrophobicContact CD2-CE2 3.67Å; F822-F858 HydrophobicContact CD2-CZ 4.05Å; F822-F858 AromaticContact CE2-CD2 3.46Å; F822-F858 HydrophobicContact CE2-CD2 3.46Å; F822-F858 VanDerWaalsContact CE2-CD2 3.46Å; F822-F858 AromaticContact CE2-CE2 3.67Å; F822-F858 HydrophobicContact CE2-CE2 3.67Å; F822-F858 HydrophobicContact CE2-CG 4.07Å; F822-F858 HydrophobicContact CE2-CZ 4.41Å; F822-F858 HydrophobicContact CZ-CD2 4.34Å; H842-F858 PolarHBondContact NE2-O 3.39Å; L850-F858 HydrophobicContact CD1-CB 3.92Å; F858-L863 HydrophobicContact CD1-CB 3.96Å; F858-L863 HydrophobicContact CD1-CD1 4.46Å; F858-L863 VanDerWaalsContact CE1-CA 3.47Å; F858-L863 HydrophobicContact CE1-CB 3.43Å; F858-L863 VanDerWaalsContact CE1-CB 3.43Å; F858-L863 HydrophobicContact CE1-CD1 3.59Å; F858-L863 HydrophobicContact CE1-CG 4.01Å; F858-L863 HydrophobicContact CZ-CB 4.44Å; F858-L863 HydrophobicContact CZ-CD1 4.41Å | ||
| 859 | N | 69.5 | Low | 67.3 | Low | 90 Ų | 90 | 73.4 Ų | 73.4 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | trans | -83.5 | 149.5 | -171.7 | -145 | -10.9 | 0 | 0 | 0 | 111.9 | G857 D861 E862 L863 | G857-N859 PolarHBondContact O-N 3.37Å; N859-D861 PolarHBondContact O-N 3.32Å; N859-E862 WeakPolarHBondContact O-CB 3.49Å; N859-E862 PolarHBondContact O-N 3.5Å; N859-L863 PolarHBondContact O-N 3.28Å | ||
| 860 | R | 75.9 | Confident | 68.1 | Low | 116 Ų | 116 | 72.4 Ų | 72.4 | 44% | 0.438 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.6 | -37.5 | -173 | -162.5 | 179 | 88.1 | 162.1 | -3.3 | 112.4 | L838 D839 L863 R864 | L838-R860 HydrophobicContact CD2-CG 3.94Å; L838-R860 HydrophobicContact CG-CG 4.42Å; D839-R860 IonicContact OD1-CZ 3.64Å; D839-R860 IonicContact OD1-NH1 3.8Å; D839-R860 PolarHBondContact OD1-NH1 3.16Å; D839-R860 IonicContact OD2-NH1 3.54Å; R860-L863 PolarHBondContact O-N 3.13Å; R860-R864 PolarHBondContact O-N 2.98Å |
| 861 | D | 76.6 | Confident | 69.2 | Low | 103 Ų | 103 | 73.4 Ų | 73.4 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.1 | -32.7 | 177.7 | -66.3 | -30.6 | 0 | 0 | 0 | 113.1 | N859 R864 R865 | N859-D861 PolarHBondContact O-N 3.32Å; D861-R864 PolarHBondContact O-N 3.21Å; D861-R865 WeakPolarHBondContact O-CG 3.4Å; D861-R865 PolarHBondContact O-N 2.83Å |
| 862 | E | 77.1 | Confident | 70.9 | Confident | 75 Ų | 75 | 81 Ų | 81 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 173.6 | -96.6 | -175.9 | 154.8 | 0 | 0 | 110.7 | K815 N859 R864 R865 F866 | K815-E862 IonicContact NZ-OE1 3.36Å; K815-E862 PolarHBondContact NZ-OE1 2.98Å; N859-E862 WeakPolarHBondContact O-CB 3.49Å; N859-E862 PolarHBondContact O-N 3.5Å; E862-R864 VanDerWaalsContact C-N 3.3Å; E862-R864 PolarHBondContact O-N 2.82Å; E862-R865 PolarHBondContact O-N 3.33Å; E862-F866 WeakPolarHBondContact O-CB 3.44Å; E862-F866 PolarHBondContact O-N 3.44Å |
| 863 | L | 82.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.6 | -179 | 60.3 | 0 | 0 | 0 | 111.1 | I826 L838 I841 H842 L845 F858 N859 R860 F866 L867 | I826-L863 HydrophobicContact CD1-CD1 4.14Å; L838-L863 HydrophobicContact CD1-CD2 3.94Å; L838-L863 HydrophobicContact CD1-CG 4.01Å; I841-L863 HydrophobicContact CB-CD2 4.34Å; I841-L863 HydrophobicContact CG2-CD1 4.24Å; I841-L863 HydrophobicContact CG2-CD2 4.02Å; H842-L863 HydrophobicContact CB-CD2 3.65Å; L845-L863 HydrophobicContact CD1-CD1 3.83Å; L845-L863 HydrophobicContact CD1-CD2 4.43Å; F858-L863 HydrophobicContact CD1-CB 3.96Å; F858-L863 HydrophobicContact CD1-CD1 4.46Å; F858-L863 VanDerWaalsContact CE1-CA 3.47Å; F858-L863 HydrophobicContact CE1-CB 3.43Å; F858-L863 VanDerWaalsContact CE1-CB 3.43Å; F858-L863 HydrophobicContact CE1-CD1 3.59Å; F858-L863 HydrophobicContact CE1-CG 4.01Å; F858-L863 HydrophobicContact CZ-CB 4.44Å; F858-L863 HydrophobicContact CZ-CD1 4.41Å; N859-L863 PolarHBondContact O-N 3.28Å; R860-L863 PolarHBondContact O-N 3.13Å; L863-F866 PolarHBondContact O-N 3Å; L863-L867 HydrophobicContact CD1-CD1 4.01Å; L863-L867 HydrophobicContact CD1-CG 4.05Å; L863-L867 HydrophobicContact CD2-CD1 4.45Å; L863-L867 HydrophobicContact CG-CD1 3.87Å; L863-L867 HydrophobicContact CG-CG 4.32Å; L863-L867 WeakPolarHBondContact O-CG 3.28Å; L863-L867 PolarHBondContact O-N 3.23Å |
| 864 | R | 85.5 | Confident | 74.8 | Confident | 116 Ų | 116 | 75 Ų | 75 | 44% | 0.438 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 179.6 | -171.6 | 175.5 | -175.8 | 149 | 5.8 | 111.4 | L838 R860 D861 E862 F866 L867 D868 | L838-R864 HydrophobicContact CD1-CB 4.24Å; L838-R864 HydrophobicContact CD2-CB 4.36Å; R860-R864 PolarHBondContact O-N 2.98Å; D861-R864 PolarHBondContact O-N 3.21Å; E862-R864 VanDerWaalsContact C-N 3.3Å; E862-R864 PolarHBondContact O-N 2.82Å; R864-F866 VanDerWaalsContact C-N 3.26Å; R864-F866 PolarHBondContact O-N 3.48Å; R864-L867 PolarHBondContact O-N 3.42Å; R864-D868 WeakPolarHBondContact O-CB 3.45Å; R864-D868 PolarHBondContact O-N 2.8Å |
| 865 | R | 83.2 | Confident | 76.9 | Confident | 185 Ų | 185 | 75.2 Ų | 75.2 | 70% | 0.698 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.4 | -37.7 | 176.3 | -74.4 | -179.2 | -169.7 | 179.6 | 3.6 | 112.5 | D861 E862 K869 | D861-R865 WeakPolarHBondContact O-CG 3.4Å; D861-R865 PolarHBondContact O-N 2.83Å; E862-R865 PolarHBondContact O-N 3.33Å; R865-K869 PolarHBondContact O-N 3.34Å |
| 866 | F | 85.7 | Confident | 79.1 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 177.5 | -178 | -113.1 | 0 | 0 | 0 | 112.2 | L819 W823 I826 E862 L863 R864 D868 K869 K870 | L819-F866 HydrophobicContact CB-CD2 4.12Å; L819-F866 HydrophobicContact CB-CE2 3.71Å; L819-F866 HydrophobicContact CB-CZ 4.05Å; L819-F866 HydrophobicContact CD1-CD2 4.29Å; L819-F866 HydrophobicContact CD2-CB 4Å; L819-F866 HydrophobicContact CD2-CD1 4.14Å; L819-F866 HydrophobicContact CD2-CD2 3.62Å; L819-F866 HydrophobicContact CD2-CE2 4.06Å; L819-F866 HydrophobicContact CD2-CG 3.65Å; L819-F866 HydrophobicContact CD2-CZ 4.47Å; L819-F866 HydrophobicContact CG-CD2 4.24Å; L819-F866 HydrophobicContact CG-CE2 4.35Å; L819-F866 VanDerWaalsContact O-CZ 3.31Å; L819-F866 WeakPolarHBondContact O-CZ 3.21Å; W823-F866 HydrophobicContact CB-CE1 4.29Å; W823-F866 HydrophobicContact CB-CZ 4.09Å; W823-F866 HydrophobicContact CE3-CE1 4.17Å; I826-F866 HydrophobicContact CD1-CD1 4.39Å; I826-F866 HydrophobicContact CD1-CE1 4.23Å; E862-F866 WeakPolarHBondContact O-CB 3.44Å; E862-F866 PolarHBondContact O-N 3.44Å; L863-F866 PolarHBondContact O-N 3Å; R864-F866 VanDerWaalsContact C-N 3.26Å; R864-F866 PolarHBondContact O-N 3.48Å; F866-D868 VanDerWaalsContact C-N 3.32Å; F866-D868 PolarHBondContact O-N 3.44Å; F866-K869 WeakPolarHBondContact O-CB 3.33Å; F866-K869 PolarHBondContact O-N 2.89Å; F866-K870 HydrophobicContact CE1-CG 4.38Å; F866-K870 HydrophobicContact CZ-CG 4.33Å; F866-K870 WeakPolarHBondContact O-CG 3.45Å; F866-K870 PolarHBondContact O-N 3.37Å |
| 867 | L | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 175 | -67 | 171.2 | 0 | 0 | 0 | 111.3 | I826 L838 I841 L863 R864 K869 K870 I871 L876 Y883 | I826-L867 HydrophobicContact CD1-CD2 4.27Å; I826-L867 HydrophobicContact CG2-CD2 4.3Å; L838-L867 HydrophobicContact CD1-CD1 3.66Å; I841-L867 HydrophobicContact CD1-CD1 4.26Å; L863-L867 HydrophobicContact CD1-CD1 4.01Å; L863-L867 HydrophobicContact CD1-CG 4.05Å; L863-L867 HydrophobicContact CD2-CD1 4.45Å; L863-L867 HydrophobicContact CG-CD1 3.87Å; L863-L867 HydrophobicContact CG-CG 4.32Å; L863-L867 WeakPolarHBondContact O-CG 3.28Å; L863-L867 PolarHBondContact O-N 3.23Å; R864-L867 PolarHBondContact O-N 3.42Å; L867-K869 VanDerWaalsContact C-N 3.33Å; L867-K869 PolarHBondContact O-N 2.92Å; L867-K870 CarbonylContact O-C 3.53Å; L867-K870 WeakPolarHBondContact O-CB 3.49Å; L867-K870 PolarHBondContact O-N 3.38Å; L867-K870 VanDerWaalsContact O-N 3.08Å; L867-I871 WeakPolarHBondContact O-CG1 3.44Å; L867-I871 PolarHBondContact O-N 2.64Å; L867-L876 HydrophobicContact CD2-CD1 3.55Å; L867-Y883 HydrophobicContact CB-CD1 4.1Å; L867-Y883 HydrophobicContact CB-CE1 3.58Å; L867-Y883 HydrophobicContact CD1-CD1 4.11Å; L867-Y883 HydrophobicContact CD1-CD2 4.1Å; L867-Y883 HydrophobicContact CD1-CE1 3.83Å; L867-Y883 HydrophobicContact CD1-CE2 3.83Å; L867-Y883 HydrophobicContact CD1-CG 4.24Å; L867-Y883 HydrophobicContact CG-CD1 4.48Å; L867-Y883 HydrophobicContact CG-CE1 4.25Å |
| 868 | D | 86.7 | Confident | 82.9 | Confident | 64 Ų | 64 | 71 Ų | 71 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -35.7 | 174.7 | -69.5 | -18.1 | 0 | 0 | 0 | 112.3 | R864 F866 K870 R872 | R864-D868 WeakPolarHBondContact O-CB 3.45Å; R864-D868 PolarHBondContact O-N 2.8Å; F866-D868 VanDerWaalsContact C-N 3.32Å; F866-D868 PolarHBondContact O-N 3.44Å; D868-K870 VanDerWaalsContact C-N 3.35Å; D868-R872 PolarHBondContact O-N 3.26Å; D868-R872 VanDerWaalsContact O-N 3.15Å |
| 869 | K | 86.9 | Confident | 83.8 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 170.1 | -174 | -177.4 | 175.9 | -176 | 0 | 110.2 | E816 R865 F866 L867 I871 R872 E873 | E816-K869 IonicContact OE1-NZ 2.64Å; E816-K869 PolarHBondContact OE1-NZ 3.08Å; R865-K869 PolarHBondContact O-N 3.34Å; F866-K869 WeakPolarHBondContact O-CB 3.33Å; F866-K869 PolarHBondContact O-N 2.89Å; L867-K869 VanDerWaalsContact C-N 3.33Å; L867-K869 PolarHBondContact O-N 2.92Å; K869-I871 PolarHBondContact O-N 3.04Å; K869-R872 WeakPolarHBondContact O-CB 3.49Å; K869-R872 PolarHBondContact O-N 2.84Å; K869-E873 WeakPolarHBondContact CE-OE1 3.23Å; K869-E873 WeakPolarHBondContact O-CG 3.34Å; K869-E873 PolarHBondContact O-N 3.32Å |
| 870 | K | 87.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.8 | -29 | -179.6 | -69.3 | -73.4 | 169.9 | -160.2 | 0 | 114.4 | W823 F866 L867 D868 E873 G874 Q875 L876 | W823-K870 HydrophobicContact CD2-CD 3.95Å; W823-K870 HydrophobicContact CD2-CG 4.49Å; W823-K870 HydrophobicContact CE3-CD 3.72Å; W823-K870 HydrophobicContact CE3-CG 3.77Å; W823-K870 HydrophobicContact CH2-CB 4.13Å; W823-K870 HydrophobicContact CH2-CD 3.82Å; W823-K870 HydrophobicContact CH2-CG 4.11Å; W823-K870 HydrophobicContact CZ2-CD 4.05Å; W823-K870 HydrophobicContact CZ3-CB 3.83Å; W823-K870 HydrophobicContact CZ3-CD 3.65Å; W823-K870 HydrophobicContact CZ3-CG 3.55Å; F866-K870 HydrophobicContact CE1-CG 4.38Å; F866-K870 HydrophobicContact CZ-CG 4.33Å; F866-K870 WeakPolarHBondContact O-CG 3.45Å; F866-K870 PolarHBondContact O-N 3.37Å; L867-K870 CarbonylContact O-C 3.53Å; L867-K870 WeakPolarHBondContact O-CB 3.49Å; L867-K870 PolarHBondContact O-N 3.38Å; L867-K870 VanDerWaalsContact O-N 3.08Å; D868-K870 VanDerWaalsContact C-N 3.35Å; K870-E873 WeakPolarHBondContact CD-OE2 3.22Å; K870-E873 WeakPolarHBondContact CE-OE2 3.29Å; K870-E873 IonicContact NZ-OE2 2.67Å; K870-E873 PolarHBondContact NZ-OE2 2.96Å; K870-E873 PolarHBondContact O-N 3.38Å; K870-G874 PolarHBondContact O-N 3.16Å; K870-Q875 PolarHBondContact O-N 3.28Å; K870-L876 HydrophobicContact CB-CD1 3.81Å; K870-L876 HydrophobicContact CB-CG 4.49Å; K870-L876 PolarHBondContact O-N 3.28Å |
| 871 | I | 89 | Confident | 84.2 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 169.5 | -68.4 | 163.1 | 0 | 0 | 0 | 110.3 | L867 K869 E873 G874 L876 Y883 | L867-I871 WeakPolarHBondContact O-CG1 3.44Å; L867-I871 PolarHBondContact O-N 2.64Å; K869-I871 PolarHBondContact O-N 3.04Å; I871-E873 VanDerWaalsContact C-N 3.3Å; I871-E873 PolarHBondContact O-N 3.26Å; I871-G874 PolarHBondContact O-N 3.33Å; I871-L876 HydrophobicContact CG1-CB 3.73Å; I871-Y883 HydrophobicContact CD1-CD1 4.09Å; I871-Y883 HydrophobicContact CD1-CE1 3.75Å |
| 872 | R | 85.5 | Confident | 84.7 | Confident | 201 Ų | 201 | 73 Ų | 73 | 76% | 0.758 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 175 | -87.4 | -177 | -64.5 | -142 | -4.9 | 113.5 | D868 K869 G874 | D868-R872 PolarHBondContact O-N 3.26Å; D868-R872 VanDerWaalsContact O-N 3.15Å; K869-R872 WeakPolarHBondContact O-CB 3.49Å; K869-R872 PolarHBondContact O-N 2.84Å; R872-G874 PolarHBondContact O-N 3.07Å |
| 873 | E | 87.2 | Confident | 85.3 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.1 | 174 | -70.4 | 173 | -169.9 | 0 | 0 | 112.9 | K869 K870 I871 Q875 | K869-E873 WeakPolarHBondContact CE-OE1 3.23Å; K869-E873 WeakPolarHBondContact O-CG 3.34Å; K869-E873 PolarHBondContact O-N 3.32Å; K870-E873 WeakPolarHBondContact CD-OE2 3.22Å; K870-E873 WeakPolarHBondContact CE-OE2 3.29Å; K870-E873 IonicContact NZ-OE2 2.67Å; K870-E873 PolarHBondContact NZ-OE2 2.96Å; K870-E873 PolarHBondContact O-N 3.38Å; I871-E873 VanDerWaalsContact C-N 3.3Å; I871-E873 PolarHBondContact O-N 3.26Å; E873-Q875 VanDerWaalsContact C-N 3.31Å; E873-Q875 HydrophobicContact CB-CG 4.27Å; E873-Q875 PolarHBondContact O-N 3.27Å |
| 874 | G | 83.7 | Confident | 85.6 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 13 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K870 I871 R872 T886 | K870-G874 PolarHBondContact O-N 3.16Å; I871-G874 PolarHBondContact O-N 3.33Å; R872-G874 PolarHBondContact O-N 3.07Å; G874-T886 PolarHBondContact O-OG1 2.99Å |
| 875 | Q | 85.6 | Confident | 85.7 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -91 | -13.6 | -179.3 | -55.5 | -164.8 | -55.4 | 0 | 0 | 113.6 | W823 K870 E873 T886 | W823-Q875 HydrophobicContact CH2-CB 3.8Å; W823-Q875 HydrophobicContact CZ2-CB 3.74Å; W823-Q875 HydrophobicContact CZ2-CG 4.41Å; K870-Q875 PolarHBondContact O-N 3.28Å; E873-Q875 VanDerWaalsContact C-N 3.31Å; E873-Q875 HydrophobicContact CB-CG 4.27Å; E873-Q875 PolarHBondContact O-N 3.27Å; Q875-T886 WeakPolarHBondContact CA-OG1 3.36Å; Q875-T886 PolarHBondContact O-N 3.1Å; Q875-T886 PolarHBondContact O-OG1 2.87Å; Q875-T886 VanDerWaalsContact O-OG1 3.12Å |
| 876 | L | 88.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.1 | 179.4 | -89.7 | 168.4 | 0 | 0 | 0 | 110.1 | W823 L830 L867 K870 I871 K884 T886 | W823-L876 HydrophobicContact CH2-CD1 4.07Å; W823-L876 HydrophobicContact CH2-CG 4.01Å; W823-L876 HydrophobicContact CZ3-CD1 3.73Å; W823-L876 HydrophobicContact CZ3-CG 4.18Å; L830-L876 HydrophobicContact CD1-CD2 3.44Å; L830-L876 VanDerWaalsContact CD1-CD2 3.44Å; L867-L876 HydrophobicContact CD2-CD1 3.55Å; K870-L876 HydrophobicContact CB-CD1 3.81Å; K870-L876 HydrophobicContact CB-CG 4.49Å; K870-L876 PolarHBondContact O-N 3.28Å; I871-L876 HydrophobicContact CG1-CB 3.73Å; L876-K884 CarbonylContact C-O 3.47Å; L876-K884 WeakPolarHBondContact CA-O 3.49Å; L876-K884 WeakPolarHBondContact CD2-O 3.37Å; L876-T886 PolarHBondContact N-OG1 3.06Å |
| 877 | S | 87.1 | Confident | 84.6 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146.6 | 161.8 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | K884 | S877-K884 PolarHBondContact N-O 2.92Å; S877-K884 PolarHBondContact O-N 3.28Å; S877-K884 PolarHBondContact OG-O 3.19Å |
| 878 | Y | 88 | Confident | 82.8 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 37% | 0.365 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.9 | 175.8 | -172.5 | -103.6 | 0 | 0 | 0 | 108.5 | D881 Y883 | Y878-D881 WeakPolarHBondContact OH-CA 3.39Å; Y878-D881 PolarHBondContact OH-OD1 3.04Å; Y878-Y883 AromaticContact CD2-CD1 3.68Å; Y878-Y883 HydrophobicContact CD2-CD1 3.68Å; Y878-Y883 HydrophobicContact CD2-CD2 4.13Å; Y878-Y883 AromaticContact CD2-CE1 3.5Å; Y878-Y883 HydrophobicContact CD2-CE1 3.5Å; Y878-Y883 VanDerWaalsContact CD2-CE1 3.5Å; Y878-Y883 AromaticContact CD2-CE2 3.96Å; Y878-Y883 HydrophobicContact CD2-CE2 3.96Å; Y878-Y883 AromaticContact CD2-CG 3.99Å; Y878-Y883 HydrophobicContact CD2-CG 3.99Å; Y878-Y883 AromaticContact CD2-CZ 3.65Å; Y878-Y883 HydrophobicContact CE2-CD1 4.32Å; Y878-Y883 HydrophobicContact CE2-CD2 4.06Å; Y878-Y883 AromaticContact CE2-CE1 3.9Å; Y878-Y883 HydrophobicContact CE2-CE1 3.9Å; Y878-Y883 AromaticContact CE2-CE2 3.6Å; Y878-Y883 HydrophobicContact CE2-CE2 3.6Å; Y878-Y883 HydrophobicContact CE2-CG 4.39Å; Y878-Y883 AromaticContact CE2-CZ 3.51Å; Y878-Y883 HydrophobicContact CG-CE1 4.49Å |
| 879 | D | 80.2 | Confident | 80.3 | Confident | 129 Ų | 129 | 80.5 Ų | 80.5 | 69% | 0.69 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 113.4 | -175.1 | -135.8 | -1.5 | 0 | 0 | 0 | 108.7 | D881 M882 | D879-D881 PolarHBondContact O-N 3.29Å; D879-M882 PolarHBondContact N-O 3.07Å; D879-M882 PolarHBondContact O-N 3.46Å |
| 880 | G | 70.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 73% | 0.732 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 59.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M882 | G880-M882 VanDerWaalsContact C-N 3.25Å; G880-M882 PolarHBondContact O-N 3.34Å |
| 881 | D | 83.3 | Confident | 77.3 | Confident | 114 Ų | 114 | 90.4 Ų | 90.4 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 6.4 | -177.9 | -74.3 | -17.8 | 0 | 0 | 0 | 117.5 | Y878 D879 | Y878-D881 WeakPolarHBondContact OH-CA 3.39Å; Y878-D881 PolarHBondContact OH-OD1 3.04Å; D879-D881 PolarHBondContact O-N 3.29Å |
| 882 | M | 86.7 | Confident | 76.6 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 32% | 0.32 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.6 | 179.6 | -58.8 | -71.9 | -85.2 | 0 | 0 | 111 | S835 S837 D879 G880 | S835-M882 VanDerWaalsContact O-CE 3.3Å; S835-M882 WeakPolarHBondContact O-CE 3.41Å; S837-M882 PolarHBondContact N-SD 3Å; D879-M882 PolarHBondContact N-O 3.07Å; D879-M882 PolarHBondContact O-N 3.46Å; G880-M882 VanDerWaalsContact C-N 3.25Å; G880-M882 PolarHBondContact O-N 3.34Å |
| 883 | Y | 91 | Very high | 76.2 | Confident | 3 Ų | 3 | 86.3 Ų | 86.3 | 1% | 0.012 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137 | 171.5 | -64.2 | -91 | 0 | 0 | 0 | 109.6 | L830 S835 S836 L838 I841 L867 I871 Y878 | L830-Y883 WeakPolarHBondContact CD2-O 3.4Å; S835-Y883 CarbonylContact C-O 3.44Å; S835-Y883 WeakPolarHBondContact CA-O 3.45Å; S836-Y883 PolarHBondContact N-O 3.46Å; S836-Y883 PolarHBondContact O-N 3.15Å; L838-Y883 HydrophobicContact CB-CE2 3.93Å; L838-Y883 HydrophobicContact CD1-CE2 4.03Å; I841-Y883 HydrophobicContact CD1-CD2 3.9Å; I841-Y883 HydrophobicContact CD1-CG 4.16Å; L867-Y883 HydrophobicContact CB-CD1 4.1Å; L867-Y883 HydrophobicContact CB-CE1 3.58Å; L867-Y883 HydrophobicContact CD1-CD1 4.11Å; L867-Y883 HydrophobicContact CD1-CD2 4.1Å; L867-Y883 HydrophobicContact CD1-CE1 3.83Å; L867-Y883 HydrophobicContact CD1-CE2 3.83Å; L867-Y883 HydrophobicContact CD1-CG 4.24Å; L867-Y883 HydrophobicContact CG-CD1 4.48Å; L867-Y883 HydrophobicContact CG-CE1 4.25Å; I871-Y883 HydrophobicContact CD1-CD1 4.09Å; I871-Y883 HydrophobicContact CD1-CE1 3.75Å; Y878-Y883 AromaticContact CD2-CD1 3.68Å; Y878-Y883 HydrophobicContact CD2-CD1 3.68Å; Y878-Y883 HydrophobicContact CD2-CD2 4.13Å; Y878-Y883 AromaticContact CD2-CE1 3.5Å; Y878-Y883 HydrophobicContact CD2-CE1 3.5Å; Y878-Y883 VanDerWaalsContact CD2-CE1 3.5Å; Y878-Y883 AromaticContact CD2-CE2 3.96Å; Y878-Y883 HydrophobicContact CD2-CE2 3.96Å; Y878-Y883 AromaticContact CD2-CG 3.99Å; Y878-Y883 HydrophobicContact CD2-CG 3.99Å; Y878-Y883 AromaticContact CD2-CZ 3.65Å; Y878-Y883 HydrophobicContact CE2-CD1 4.32Å; Y878-Y883 HydrophobicContact CE2-CD2 4.06Å; Y878-Y883 AromaticContact CE2-CE1 3.9Å; Y878-Y883 HydrophobicContact CE2-CE1 3.9Å; Y878-Y883 AromaticContact CE2-CE2 3.6Å; Y878-Y883 HydrophobicContact CE2-CE2 3.6Å; Y878-Y883 HydrophobicContact CE2-CG 4.39Å; Y878-Y883 AromaticContact CE2-CZ 3.51Å; Y878-Y883 HydrophobicContact CG-CE1 4.49Å |
| 884 | K | 89.7 | Confident | 75.5 | Confident | 107 Ų | 107 | 85.9 Ų | 85.9 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.1 | -179.8 | -169.3 | 176.2 | -171.4 | -177.4 | 0 | 110.5 | G834 L876 S877 T886 | G834-K884 WeakPolarHBondContact O-CG 3.38Å; L876-K884 CarbonylContact C-O 3.47Å; L876-K884 WeakPolarHBondContact CA-O 3.49Å; L876-K884 WeakPolarHBondContact CD2-O 3.37Å; S877-K884 PolarHBondContact N-O 2.92Å; S877-K884 PolarHBondContact O-N 3.28Å; S877-K884 PolarHBondContact OG-O 3.19Å; K884-T886 PolarHBondContact O-N 2.73Å |
| 885 | L | 87.3 | Confident | 75 | Confident | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.188 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.9 | 173.4 | -84.7 | 158 | 0 | 0 | 0 | 110.2 | T827 L830 T831 I887 | T827-L885 HydrophobicContact CG2-CD1 4.04Å; T827-L885 HydrophobicContact CG2-CD2 4.09Å; T827-L885 WeakPolarHBondContact O-CD1 3.49Å; L830-L885 HydrophobicContact CB-CD1 3.63Å; L830-L885 HydrophobicContact CB-CG 3.89Å; L830-L885 HydrophobicContact CD1-CG 4.35Å; T831-L885 WeakPolarHBondContact OG1-CD1 3.5Å; L885-I887 PolarHBondContact O-N 3.03Å |
| 886 | T | 80.3 | Confident | 74.3 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | trans | -74.5 | 111.7 | 164.6 | 35.6 | 0 | 0 | 0 | 0 | 107.2 | G874 Q875 L876 K884 P888 | G874-T886 PolarHBondContact O-OG1 2.99Å; Q875-T886 WeakPolarHBondContact CA-OG1 3.36Å; Q875-T886 PolarHBondContact O-N 3.1Å; Q875-T886 PolarHBondContact O-OG1 2.87Å; Q875-T886 VanDerWaalsContact O-OG1 3.12Å; L876-T886 PolarHBondContact N-OG1 3.06Å; K884-T886 PolarHBondContact O-N 2.73Å; T886-P888 WeakPolarHBondContact O-CD 3.43Å | ||
| 887 | I | 64.4 | Low | 73.3 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | trans | -62.7 | 123.7 | 175.3 | -57.6 | 164.4 | 0 | 0 | 0 | 105.9 | L885 D889 | L885-I887 PolarHBondContact O-N 3.03Å; I887-D889 PolarHBondContact O-N 3.07Å; I887-D889 VanDerWaalsContact O-N 3.1Å | ||
| 888 | P | 50 | Low | 72.2 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 71% | 0.708 | 56% | 0.559 | S | S | * | * | trans | -65.1 | 116.1 | 168.8 | 26.4 | -27.7 | 0 | 0 | 0 | 105.7 | T886 V890 | T886-P888 WeakPolarHBondContact O-CD 3.43Å; P888-V890 PolarHBondContact O-N 2.65Å | ||
| 889 | D | 34.4 | Very low | 70.9 | Confident | 165 Ų | 165 | 99.9 Ų | 99.9 | 88% | 0.882 | 58% | 0.575 | S | S | * | * | trans | -45.4 | 116.7 | 174.5 | -75.7 | -36 | 0 | 0 | 0 | 108.5 | I887 | I887-D889 PolarHBondContact O-N 3.07Å; I887-D889 VanDerWaalsContact O-N 3.1Å | ||
| 890 | V | 33.6 | Very low | 70.1 | Confident | 207 Ų | 207 | 97.3 Ų | 97.3 | 100% | 1.255 | 57% | 0.565 | S | S | * | * | trans | -72.9 | 0 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | P888 | P888-V890 PolarHBondContact O-N 2.65Š|
Retrieved 890 of 890 residues in 848.5 ms
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