| 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 | 28.2 | Very low | 56.4 | Low | 248 Ų | 248 | 87.1 Ų | 87.1 | 100% | 1.222 | 51% | 0.512 | S | S | * | . | 0 | 130.9 | 0 | -66.1 | 174 | 177.4 | 0 | 0 | 107.5 | |||||
| 2 | S | 33 | Very low | 58.7 | Low | 133 Ų | 133 | 81.5 Ų | 81.5 | 93% | 0.93 | 48% | 0.477 | S | S | * | . | trans | -108.4 | 56.3 | -172.1 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | G | 31.3 | Very low | 60.6 | Low | 51 Ų | 51 | 75.2 Ų | 75.2 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | trans | -107 | -27.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117 | R9 | G3-R9 PolarHBondContact O-NH2 3.27Š| ||
| 4 | N | 37.4 | Very low | 61.7 | Low | 143 Ų | 143 | 71.5 Ų | 71.5 | 77% | 0.765 | 42% | 0.418 | S | S | * | . | trans | -122.5 | 78.5 | -172.1 | -73.5 | -4.4 | 0 | 0 | 0 | 111.6 | R9 | N4-R9 PolarHBondContact OD1-NH2 3.2Š| ||
| 5 | N | 52.6 | Low | 62.4 | Low | 87 Ų | 87 | 72.3 Ų | 72.3 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | trans | -106.5 | 111.4 | 150.5 | -174.5 | 4.3 | 0 | 0 | 0 | 108 | E7 G8 | N5-E7 PolarHBondContact ND2-OE2 3.01Å; N5-E7 PolarHBondContact O-N 3.08Å; N5-E7 WeakPolarHBondContact OD1-CB 3.21Å; N5-E7 WeakPolarHBondContact OD1-CG 3.36Å; N5-E7 PolarHBondContact OD1-N 2.82Å; N5-E7 PolarHBondContact OD1-OE2 2.9Å; N5-G8 PolarHBondContact O-N 3.3Å | ||
| 6 | P | 58.8 | Low | 63.2 | Low | 69 Ų | 69 | 68.4 Ų | 68.4 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -63.8 | -28.2 | -179.8 | 26.6 | -35.2 | 0 | 0 | 0 | 112.9 | G8 R9 T10 | P6-G8 PolarHBondContact O-N 3.07Å; P6-R9 PolarHBondContact O-N 2.89Å; P6-T10 PolarHBondContact O-N 3.05Å; P6-T10 PolarHBondContact O-OG1 2.73Å |
| 7 | E | 62.8 | Low | 63.6 | Low | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -57.1 | -38.3 | 176.2 | -57.5 | 169.2 | 151.5 | 0 | 0 | 111.3 | N5 R9 T10 | N5-E7 PolarHBondContact ND2-OE2 3.01Å; N5-E7 PolarHBondContact O-N 3.08Å; N5-E7 WeakPolarHBondContact OD1-CB 3.21Å; N5-E7 WeakPolarHBondContact OD1-CG 3.36Å; N5-E7 PolarHBondContact OD1-N 2.82Å; N5-E7 PolarHBondContact OD1-OE2 2.9Å; E7-R9 PolarHBondContact O-N 2.97Å; E7-T10 PolarHBondContact O-N 3.34Å |
| 8 | G | 66.9 | Low | 63.7 | Low | 41 Ų | 41 | 67.7 Ų | 67.7 | 42% | 0.423 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -73.3 | -4.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N5 P6 A57 | N5-G8 PolarHBondContact O-N 3.3Å; P6-G8 PolarHBondContact O-N 3.07Å; G8-A57 WeakPolarHBondContact O-CA 3.35Å; G8-A57 VanDerWaalsContact O-CB 3.3Å; G8-A57 WeakPolarHBondContact O-CB 3.39Å |
| 9 | R | 82.4 | Confident | 63.6 | Low | 50 Ų | 50 | 72.1 Ų | 72.1 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -113 | -2.5 | 176.3 | -52.8 | -171.8 | -167.7 | 156.3 | 5.4 | 113.5 | G3 N4 P6 E7 F54 A57 | G3-R9 PolarHBondContact O-NH2 3.27Å; N4-R9 PolarHBondContact OD1-NH2 3.2Å; P6-R9 PolarHBondContact O-N 2.89Å; E7-R9 PolarHBondContact O-N 2.97Å; R9-F54 WeakPolarHBondContact CB-O 3.35Å; R9-F54 WeakPolarHBondContact CD-O 3.44Å; R9-F54 PolarHBondContact O-N 3.32Å; R9-A57 HydrophobicContact CG-CB 4.07Å |
| 10 | T | 82.6 | Confident | 64.1 | Low | 22 Ų | 22 | 69.3 Ų | 69.3 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.7 | -170.3 | -50.1 | 0 | 0 | 0 | 0 | 110 | P6 E7 V51 L52 P81 | P6-T10 PolarHBondContact O-N 3.05Å; P6-T10 PolarHBondContact O-OG1 2.73Å; E7-T10 PolarHBondContact O-N 3.34Å; T10-V51 HydrophobicContact CG2-CG1 3.37Å; T10-L52 CarbonylContact C-O 3.45Å; T10-L52 WeakPolarHBondContact CA-O 3.42Å; T10-P81 HydrophobicContact CG2-CG 3.96Å; T10-P81 WeakPolarHBondContact O-CD 3.41Å |
| 11 | V | 84.1 | Confident | 64.6 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136 | -174.3 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | L52 F54 A60 V63 L64 V78 | V11-L52 HydrophobicContact CB-CB 4.37Å; V11-L52 PolarHBondContact N-O 3.19Å; V11-L52 PolarHBondContact O-N 3.02Å; V11-F54 HydrophobicContact CB-CE2 4.15Å; V11-F54 HydrophobicContact CG2-CD2 4.19Å; V11-F54 HydrophobicContact CG2-CE2 3.84Å; V11-A60 HydrophobicContact CG2-CB 3.61Å; V11-V63 HydrophobicContact CG1-CG1 4.31Å; V11-L64 HydrophobicContact CG1-CD2 4.2Å; V11-L64 HydrophobicContact CG2-CD1 4.38Å; V11-L64 HydrophobicContact CG2-CG 4.26Å; V11-V78 HydrophobicContact CG1-CG1 3.23Å |
| 12 | E | 84.1 | Confident | 67 | Low | 20 Ų | 20 | 63.8 Ų | 63.8 | 9% | 0.093 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.7 | 174.3 | -173.7 | -178.6 | -153.7 | 0 | 0 | 110.1 | L14 C49 V78 R79 P81 | E12-L14 HydrophobicContact CG-CD2 3.92Å; E12-C49 HydrophobicContact CG-CB 4.45Å; E12-V78 WeakPolarHBondContact O-CA 3.41Å; E12-R79 HydrophobicContact CB-CG 4.24Å; E12-R79 PolarHBondContact N-O 2.72Å; E12-R79 PolarHBondContact O-N 2.94Å; E12-R79 VanDerWaalsContact O-O 3.13Å; E12-R79 IonicContact OE1-NH2 2.7Å; E12-R79 IonicContact OE2-CZ 2.64Å; E12-R79 IonicContact OE2-NE 3.44Å; E12-R79 PolarHBondContact OE2-NE 2.88Å; E12-R79 IonicContact OE2-NH2 3.76Å; E12-R79 PolarHBondContact OE2-NH2 2.93Å; E12-P81 HydrophobicContact CB-CB 4.48Å |
| 13 | V | 83.7 | Confident | 69 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.4 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 108 | L16 F29 C49 A50 L52 L76 V78 | V13-L16 HydrophobicContact CG1-CD2 3.84Å; V13-L16 HydrophobicContact CG1-CG 4.38Å; V13-F29 HydrophobicContact CG1-CZ 4.39Å; V13-F29 HydrophobicContact CG2-CE1 4.32Å; V13-F29 HydrophobicContact CG2-CE2 3.91Å; V13-F29 HydrophobicContact CG2-CZ 3.67Å; V13-C49 CarbonylContact O-C 3.5Å; V13-C49 WeakPolarHBondContact O-CA 3.29Å; V13-C49 WeakPolarHBondContact O-CB 3.2Å; V13-A50 PolarHBondContact N-O 3.27Å; V13-A50 PolarHBondContact O-N 2.54Å; V13-L52 HydrophobicContact CG2-CD1 3.49Å; V13-L52 VanDerWaalsContact CG2-CD1 3.49Å; V13-L52 HydrophobicContact CG2-CG 3.86Å; V13-L76 HydrophobicContact CG1-CB 4.05Å; V13-L76 HydrophobicContact CG1-CD1 3.96Å; V13-L76 HydrophobicContact CG1-CG 4.45Å; V13-V78 HydrophobicContact CG1-CG2 4.34Å; V13-V78 HydrophobicContact CG2-CG1 4.42Å; V13-V78 HydrophobicContact CG2-CG2 4.19Å |
| 14 | L | 76.5 | Confident | 71.1 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 167 | 177.3 | -55.1 | 178.6 | 0 | 0 | 0 | 110.5 | E12 C49 S77 R79 | E12-L14 HydrophobicContact CG-CD2 3.92Å; L14-C49 HydrophobicContact CD2-CB 3.75Å; L14-S77 PolarHBondContact N-O 2.9Å; L14-R79 HydrophobicContact CD1-CG 4.37Å |
| 15 | E | 71.8 | Confident | 73 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | trans | 64.8 | 43.4 | 171.1 | -68.3 | 148 | -159.3 | 0 | 0 | 112.2 | P17 N48 L76 S77 K198 | E15-P17 WeakPolarHBondContact O-CD 3.26Å; E15-N48 PolarHBondContact N-O 3.45Å; E15-L76 WeakPolarHBondContact O-CD2 3.46Å; E15-S77 WeakPolarHBondContact OE2-CB 3.47Å; E15-K198 VanDerWaalsContact OE1-CE 3.24Å; E15-K198 WeakPolarHBondContact OE1-CE 3.31Å; E15-K198 IonicContact OE1-NZ 2.72Å; E15-K198 PolarHBondContact OE1-NZ 3.17Å | ||
| 16 | L | 75.1 | Confident | 74.3 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | trans | -77.5 | 120.6 | 176 | -67.7 | 174.9 | 0 | 0 | 0 | 111.4 | V13 G18 I20 L25 I45 N48 C49 A50 L76 | V13-L16 HydrophobicContact CG1-CD2 3.84Å; V13-L16 HydrophobicContact CG1-CG 4.38Å; L16-G18 PolarHBondContact O-N 3.21Å; L16-I20 HydrophobicContact CD2-CD1 4.41Å; L16-L25 HydrophobicContact CD1-CD1 4.43Å; L16-L25 HydrophobicContact CD2-CD2 3.95Å; L16-I45 HydrophobicContact CD1-CG2 4.46Å; L16-N48 PolarHBondContact N-O 3.4Å; L16-N48 PolarHBondContact N-OD1 2.72Å; L16-N48 VanDerWaalsContact N-OD1 3.09Å; L16-N48 PolarHBondContact O-OD1 3.21Å; L16-N48 VanDerWaalsContact O-OD1 3.09Å; L16-C49 VanDerWaalsContact CD1-C 3.42Å; L16-A50 HydrophobicContact CD1-CB 3.57Å; L16-L76 HydrophobicContact CD2-CD1 4.15Å; L16-L76 HydrophobicContact CD2-CD2 3.98Å | ||
| 17 | P | 69.4 | Low | 75.1 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | trans | -58.5 | 135.6 | 164.5 | -18.7 | 30.6 | 0 | 0 | 0 | 110.4 | E15 N19 I20 S74 | E15-P17 WeakPolarHBondContact O-CD 3.26Å; P17-N19 PolarHBondContact O-N 3.01Å; P17-I20 HydrophobicContact CB-CG1 4.45Å; P17-I20 HydrophobicContact CG-CD1 4.18Å; P17-I20 HydrophobicContact CG-CG1 4.44Å; P17-I20 PolarHBondContact O-N 2.46Å; P17-I20 VanDerWaalsContact O-N 3.07Å; P17-S74 VanDerWaalsContact CG-CB 3.47Å; P17-S74 WeakPolarHBondContact CG-OG 3.44Å | ||
| 18 | G | 65.1 | Low | 75.9 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 84% | 0.835 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 11 | -179 | 0 | 0 | 0 | 0 | 0 | 116.8 | L16 | L16-G18 PolarHBondContact O-N 3.21Š|
| 19 | N | 63.5 | Low | 76.7 | Confident | 150 Ų | 150 | 53.4 Ų | 53.4 | 80% | 0.802 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 20.6 | 174 | -68.4 | -16.5 | 0 | 0 | 0 | 111.9 | P17 | P17-N19 PolarHBondContact O-N 3.01Š|
| 20 | I | 72.9 | Confident | 76.7 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | trans | -101 | 111.2 | 172.7 | -62.7 | -168.8 | 0 | 0 | 0 | 110 | L16 P17 L24 L25 V71 | L16-I20 HydrophobicContact CD2-CD1 4.41Å; P17-I20 HydrophobicContact CB-CG1 4.45Å; P17-I20 HydrophobicContact CG-CD1 4.18Å; P17-I20 HydrophobicContact CG-CG1 4.44Å; P17-I20 PolarHBondContact O-N 2.46Å; P17-I20 VanDerWaalsContact O-N 3.07Å; I20-L24 HydrophobicContact CG2-CB 4.15Å; I20-L25 HydrophobicContact CG2-CD1 4.46Å; I20-L25 HydrophobicContact CG2-CD2 3.91Å; I20-L25 HydrophobicContact CG2-CG 3.81Å; I20-V71 HydrophobicContact CD1-CB 4.12Å; I20-V71 HydrophobicContact CD1-CG1 3.78Å | ||
| 21 | D | 73.8 | Confident | 76.4 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | trans | -75.8 | 158.4 | 173.1 | -56.6 | -55.8 | 0 | 0 | 0 | 112.7 | E23 L24 L25 | D21-E23 VanDerWaalsContact C-N 3.3Å; D21-E23 PolarHBondContact O-N 3.38Å; D21-L24 WeakPolarHBondContact O-CB 3.4Å; D21-L24 PolarHBondContact O-N 3.22Å; D21-L24 VanDerWaalsContact O-N 3.08Å; D21-L25 PolarHBondContact O-N 2.93Å | ||
| 22 | E | 78.5 | Confident | 76.2 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.4 | -41.1 | 179.2 | -160.1 | -175.1 | 145 | 0 | 0 | 112.4 | L24 L25 Y26 V43 I45 | E22-L24 VanDerWaalsContact C-N 3.26Å; E22-L24 PolarHBondContact O-N 3.29Å; E22-L25 WeakPolarHBondContact O-CB 3.2Å; E22-L25 PolarHBondContact O-N 3.14Å; E22-L25 VanDerWaalsContact O-N 3.08Å; E22-Y26 HydrophobicContact CG-CD2 4.16Å; E22-Y26 HydrophobicContact CG-CE2 3.94Å; E22-Y26 WeakPolarHBondContact O-CD2 3.16Å; E22-Y26 PolarHBondContact O-N 3.07Å; E22-Y26 WeakPolarHBondContact OE1-CE2 2.87Å; E22-V43 HydrophobicContact CG-CB 3.81Å; E22-V43 HydrophobicContact CG-CG1 3.78Å; E22-I45 HydrophobicContact CB-CD1 4.21Å |
| 23 | E | 75.4 | Confident | 75.7 | Confident | 168 Ų | 168 | 73.4 Ų | 73.4 | 79% | 0.785 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.1 | -34.2 | 177.6 | -62.9 | -168.7 | 169.5 | 0 | 0 | 113.1 | D21 L27 | D21-E23 VanDerWaalsContact C-N 3.3Å; D21-E23 PolarHBondContact O-N 3.38Å; E23-L27 VanDerWaalsContact O-CB 3.29Å; E23-L27 WeakPolarHBondContact O-CB 3.42Å; E23-L27 PolarHBondContact O-N 3.04Å |
| 24 | L | 74.9 | Confident | 75.3 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.1 | -34.1 | 177.7 | -80.5 | 164.2 | 0 | 0 | 0 | 111.8 | I20 D21 E22 Y28 | I20-L24 HydrophobicContact CG2-CB 4.15Å; D21-L24 WeakPolarHBondContact O-CB 3.4Å; D21-L24 PolarHBondContact O-N 3.22Å; D21-L24 VanDerWaalsContact O-N 3.08Å; E22-L24 VanDerWaalsContact C-N 3.26Å; E22-L24 PolarHBondContact O-N 3.29Å; L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 3.16Å |
| 25 | L | 79.2 | Confident | 75.4 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 172.4 | -66.3 | 175.4 | 0 | 0 | 0 | 110.8 | L16 I20 D21 E22 Y28 F29 V43 I45 A50 L52 | L16-L25 HydrophobicContact CD1-CD1 4.43Å; L16-L25 HydrophobicContact CD2-CD2 3.95Å; I20-L25 HydrophobicContact CG2-CD1 4.46Å; I20-L25 HydrophobicContact CG2-CD2 3.91Å; I20-L25 HydrophobicContact CG2-CG 3.81Å; D21-L25 PolarHBondContact O-N 2.93Å; E22-L25 WeakPolarHBondContact O-CB 3.2Å; E22-L25 PolarHBondContact O-N 3.14Å; E22-L25 VanDerWaalsContact O-N 3.08Å; L25-Y28 PolarHBondContact O-N 3.39Å; L25-F29 HydrophobicContact CB-CD2 4.5Å; L25-F29 HydrophobicContact CD2-CD2 4.24Å; L25-F29 HydrophobicContact CD2-CE2 3.95Å; L25-F29 WeakPolarHBondContact O-CB 3.47Å; L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.21Å; L25-V43 HydrophobicContact CB-CG1 4.15Å; L25-V43 HydrophobicContact CD1-CG1 3.87Å; L25-I45 HydrophobicContact CD1-CD1 3.93Å; L25-I45 HydrophobicContact CD1-CG1 3.96Å; L25-A50 HydrophobicContact CD1-CB 3.74Å; L25-L52 HydrophobicContact CB-CD2 4.49Å |
| 26 | Y | 79.4 | Confident | 75.6 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 24% | 0.239 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -54.2 | -56.9 | 172 | -86.7 | -86.3 | 0 | 0 | 0 | 111.4 | E22 Y28 F29 E30 L40 V43 | E22-Y26 HydrophobicContact CG-CD2 4.16Å; E22-Y26 HydrophobicContact CG-CE2 3.94Å; E22-Y26 WeakPolarHBondContact O-CD2 3.16Å; E22-Y26 PolarHBondContact O-N 3.07Å; E22-Y26 WeakPolarHBondContact OE1-CE2 2.87Å; Y26-Y28 PolarHBondContact O-N 2.91Å; Y26-Y28 VanDerWaalsContact O-N 3.16Å; Y26-F29 PolarHBondContact O-N 2.85Å; Y26-E30 WeakPolarHBondContact O-CB 3.47Å; Y26-E30 WeakPolarHBondContact O-CG 3.32Å; Y26-E30 PolarHBondContact O-N 3.31Å; Y26-L40 HydrophobicContact CD1-CB 3.7Å; Y26-L40 HydrophobicContact CD1-CD1 3.82Å; Y26-L40 HydrophobicContact CD1-CG 4.41Å; Y26-L40 HydrophobicContact CE1-CB 3.45Å; Y26-L40 VanDerWaalsContact CE1-CB 3.45Å; Y26-L40 HydrophobicContact CE1-CD1 4.3Å; Y26-L40 HydrophobicContact CG-CD1 4.25Å; Y26-V43 HydrophobicContact CD1-CG2 4.45Å; Y26-V43 HydrophobicContact CD2-CB 4.3Å; Y26-V43 HydrophobicContact CD2-CG2 3.75Å; Y26-V43 HydrophobicContact CE1-CG2 4.23Å; Y26-V43 HydrophobicContact CE2-CB 3.79Å; Y26-V43 HydrophobicContact CE2-CG2 3.49Å; Y26-V43 VanDerWaalsContact CE2-CG2 3.49Å; Y26-V43 HydrophobicContact CG-CG2 4.23Å |
| 27 | L | 74.3 | Confident | 75.8 | Confident | 117 Ų | 117 | 76 Ų | 76 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -31 | -175.5 | -176.7 | 63.1 | 0 | 0 | 0 | 113.5 | E23 | E23-L27 VanDerWaalsContact O-CB 3.29Å; E23-L27 WeakPolarHBondContact O-CB 3.42Å; E23-L27 PolarHBondContact O-N 3.04Å |
| 28 | Y | 80.6 | Confident | 76.5 | Confident | 27 Ų | 27 | 74 Ų | 74 | 11% | 0.106 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.1 | -49.8 | 174.1 | -175.6 | -94.4 | 0 | 0 | 0 | 112.4 | L24 L25 Y26 N31 R34 S35 H69 V70 V71 | L24-Y28 WeakPolarHBondContact O-CB 3.49Å; L24-Y28 PolarHBondContact O-N 3.16Å; L25-Y28 PolarHBondContact O-N 3.39Å; Y26-Y28 PolarHBondContact O-N 2.91Å; Y26-Y28 VanDerWaalsContact O-N 3.16Å; Y28-N31 WeakPolarHBondContact O-CB 3.44Å; Y28-N31 PolarHBondContact O-N 3.08Å; Y28-R34 HydrophobicContact CD2-CB 4.24Å; Y28-R34 HydrophobicContact CE2-CB 4.04Å; Y28-R34 PolarHBondContact OH-O 3.26Å; Y28-S35 VanDerWaalsContact O-CB 3.29Å; Y28-S35 WeakPolarHBondContact O-CB 3.34Å; Y28-S35 PolarHBondContact O-OG 3.3Å; Y28-H69 HydrophobicContact CE1-CB 4.08Å; Y28-H69 AromaticContact CE1-CE1 2.87Å; Y28-H69 WeakPolarHBondContact CE1-CE1 3.37Å; Y28-H69 AromaticContact CE1-ND1 3.64Å; Y28-H69 AromaticContact CZ-CE1 3.09Å; Y28-H69 AromaticContact CZ-ND1 3.99Å; Y28-H69 WeakPolarHBondContact OH-CA 3.29Å; Y28-H69 PolarHBondContact OH-CE1 2.72Å; Y28-H69 PolarHBondContact OH-ND1 3.5Å; Y28-V70 WeakPolarHBondContact CE2-O 3.1Å; Y28-V70 PolarHBondContact OH-N 3.31Å; Y28-V71 HydrophobicContact CD1-CG2 3.82Å; Y28-V71 HydrophobicContact CD2-CG2 3.68Å; Y28-V71 HydrophobicContact CE1-CG2 4.11Å; Y28-V71 HydrophobicContact CE2-CG2 3.97Å; Y28-V71 HydrophobicContact CG-CG2 3.59Å |
| 29 | F | 83.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -80.7 | -25.7 | -169.5 | -77.3 | -76.6 | 0 | 0 | 0 | 114.5 | V13 L25 Y26 N31 S35 G37 G38 L40 L52 F54 V63 L76 V78 | V13-F29 HydrophobicContact CG1-CZ 4.39Å; V13-F29 HydrophobicContact CG2-CE1 4.32Å; V13-F29 HydrophobicContact CG2-CE2 3.91Å; V13-F29 HydrophobicContact CG2-CZ 3.67Å; L25-F29 HydrophobicContact CB-CD2 4.5Å; L25-F29 HydrophobicContact CD2-CD2 4.24Å; L25-F29 HydrophobicContact CD2-CE2 3.95Å; L25-F29 WeakPolarHBondContact O-CB 3.47Å; L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.21Å; Y26-F29 PolarHBondContact O-N 2.85Å; F29-N31 PolarHBondContact O-N 3.41Å; F29-S35 WeakPolarHBondContact CA-OG 3.46Å; F29-S35 PolarHBondContact O-OG 3.47Å; F29-G37 WeakPolarHBondContact O-CA 3.32Å; F29-G38 PolarHBondContact O-N 3.43Å; F29-L40 HydrophobicContact CB-CD1 3.96Å; F29-L52 HydrophobicContact CB-CD1 3.91Å; F29-L52 HydrophobicContact CD1-CD1 3.54Å; F29-L52 HydrophobicContact CD2-CD1 3.54Å; F29-L52 HydrophobicContact CD2-CD2 4.33Å; F29-L52 HydrophobicContact CE1-CD1 3.88Å; F29-L52 HydrophobicContact CE2-CD1 3.89Å; F29-L52 HydrophobicContact CG-CD1 3.36Å; F29-L52 HydrophobicContact CZ-CD1 4.05Å; F29-F54 HydrophobicContact CB-CZ 4.24Å; F29-V63 HydrophobicContact CD1-CG1 3.94Å; F29-V63 HydrophobicContact CD1-CG2 4.35Å; F29-V63 HydrophobicContact CE1-CG1 3.82Å; F29-L76 HydrophobicContact CE2-CD1 4.4Å; F29-V78 HydrophobicContact CE1-CG2 4.36Å; F29-V78 HydrophobicContact CZ-CG2 4.21Å |
| 30 | E | 83.6 | Confident | 78.1 | Confident | 88 Ų | 88 | 66.2 Ų | 66.2 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -23.8 | 167.2 | -68.1 | -159 | 134.1 | 0 | 0 | 113.4 | Y26 K32 G38 L40 | Y26-E30 WeakPolarHBondContact O-CB 3.47Å; Y26-E30 WeakPolarHBondContact O-CG 3.32Å; Y26-E30 PolarHBondContact O-N 3.31Å; E30-K32 PolarHBondContact O-N 3.21Å; E30-G38 WeakPolarHBondContact CA-O 3.46Å; E30-L40 HydrophobicContact CG-CB 4.48Å; E30-L40 HydrophobicContact CG-CD1 4.08Å; E30-L40 HydrophobicContact CG-CG 4.31Å |
| 31 | N | 75.9 | Confident | 78.7 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | trans | -78.4 | 95.3 | -167.8 | -169 | -47.7 | 0 | 0 | 0 | 112.2 | Y28 F29 R33 R34 S35 G36 | Y28-N31 WeakPolarHBondContact O-CB 3.44Å; Y28-N31 PolarHBondContact O-N 3.08Å; F29-N31 PolarHBondContact O-N 3.41Å; N31-R33 CarbonylContact O-C 3.56Å; N31-R33 PolarHBondContact O-N 2.87Å; N31-R33 PolarHBondContact OD1-N 3.29Å; N31-R33 VanDerWaalsContact OD1-N 3.08Å; N31-R34 HydrophobicContact CB-CB 4Å; N31-R34 HydrophobicContact CB-CG 4.46Å; N31-R34 PolarHBondContact O-N 3Å; N31-R34 PolarHBondContact OD1-N 3.29Å; N31-S35 PolarHBondContact O-N 2.94Å; N31-S35 PolarHBondContact O-OG 3Å; N31-S35 VanDerWaalsContact O-OG 3.07Å; N31-G36 PolarHBondContact O-N 3.01Å | ||
| 32 | K | 79.9 | Confident | 79.2 | Confident | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | -18.8 | 174.7 | -74.3 | 178 | -178.7 | -175.3 | 0 | 116.4 | E30 G37 | E30-K32 PolarHBondContact O-N 3.21Å; K32-G37 WeakPolarHBondContact CG-O 3.36Å |
| 33 | R | 73.5 | Confident | 79.4 | Confident | 226 Ų | 226 | 62.2 Ų | 62.2 | 85% | 0.853 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -40.1 | 172.3 | -64.5 | -176.4 | 179.7 | 178.3 | 0.7 | 113.1 | N31 K66 | N31-R33 CarbonylContact O-C 3.56Å; N31-R33 PolarHBondContact O-N 2.87Å; N31-R33 PolarHBondContact OD1-N 3.29Å; N31-R33 VanDerWaalsContact OD1-N 3.08Å; R33-K66 PolarHBondContact O-NZ 3.33Å |
| 34 | R | 74.4 | Confident | 79.6 | Confident | 157 Ų | 157 | 58.7 Ų | 58.7 | 59% | 0.592 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -48.8 | -177.7 | -68.2 | -175.3 | 168.3 | -165.2 | -3.4 | 113.2 | Y28 N31 K66 | Y28-R34 HydrophobicContact CD2-CB 4.24Å; Y28-R34 HydrophobicContact CE2-CB 4.04Å; Y28-R34 PolarHBondContact OH-O 3.26Å; N31-R34 HydrophobicContact CB-CB 4Å; N31-R34 HydrophobicContact CB-CG 4.46Å; N31-R34 PolarHBondContact O-N 3Å; N31-R34 PolarHBondContact OD1-N 3.29Å; R34-K66 PolarHBondContact O-NZ 2.92Å |
| 35 | S | 78.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -34.4 | 176.1 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | Y28 F29 N31 G37 K66 H69 | Y28-S35 VanDerWaalsContact O-CB 3.29Å; Y28-S35 WeakPolarHBondContact O-CB 3.34Å; Y28-S35 PolarHBondContact O-OG 3.3Å; F29-S35 WeakPolarHBondContact CA-OG 3.46Å; F29-S35 PolarHBondContact O-OG 3.47Å; N31-S35 PolarHBondContact O-N 2.94Å; N31-S35 PolarHBondContact O-OG 3Å; N31-S35 VanDerWaalsContact O-OG 3.07Å; S35-G37 PolarHBondContact OG-N 2.79Å; S35-K66 WeakPolarHBondContact O-CD 3.35Å; S35-H69 VanDerWaalsContact C-NE2 3.32Å; S35-H69 WeakPolarHBondContact CA-NE2 3.36Å; S35-H69 PolarHBondContact O-NE2 3.08Å |
| 36 | G | 75.4 | Confident | 79.5 | Confident | 13 Ų | 13 | 65 Ų | 65 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 94.3 | -4.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N31 R62 | N31-G36 PolarHBondContact O-N 3.01Å; G36-R62 WeakPolarHBondContact O-CB 3.31Å; G36-R62 PolarHBondContact O-NE 3.48Å |
| 37 | G | 80.4 | Confident | 79 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -78 | -126.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116 | F29 K32 S35 V63 | F29-G37 WeakPolarHBondContact O-CA 3.32Å; K32-G37 WeakPolarHBondContact CG-O 3.36Å; S35-G37 PolarHBondContact OG-N 2.79Å; G37-V63 VanDerWaalsContact CA-CG2 3.44Å | ||
| 38 | G | 82.8 | Confident | 79 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | trans | 165.9 | -172.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F29 E30 L40 F54 | F29-G38 PolarHBondContact O-N 3.43Å; E30-G38 WeakPolarHBondContact CA-O 3.46Å; G38-L40 PolarHBondContact O-N 3.43Å; G38-F54 WeakPolarHBondContact O-CD1 3.39Å; G38-F54 WeakPolarHBondContact O-CE1 3.46Å | ||
| 39 | P | 81.6 | Confident | 78.8 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 34% | 0.344 | 33% | 0.332 | S | S | . | . | trans | -50.9 | 134.9 | -175.5 | -28.1 | 36 | 0 | 0 | 0 | 113.4 | F54 E55 | P39-F54 WeakPolarHBondContact O-CA 3.42Å; P39-E55 HydrophobicContact CB-CB 4.41Å; P39-E55 HydrophobicContact CB-CG 3.9Å; P39-E55 VanDerWaalsContact CB-OE2 3.29Å; P39-E55 WeakPolarHBondContact CB-OE2 3.42Å; P39-E55 PolarHBondContact O-N 3.33Å | ||
| 40 | L | 81.8 | Confident | 78.7 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.3 | 179.1 | -78 | 163.1 | 0 | 0 | 0 | 110.3 | Y26 F29 E30 G38 V43 L52 R53 F54 | Y26-L40 HydrophobicContact CD1-CB 3.7Å; Y26-L40 HydrophobicContact CD1-CD1 3.82Å; Y26-L40 HydrophobicContact CD1-CG 4.41Å; Y26-L40 HydrophobicContact CE1-CB 3.45Å; Y26-L40 VanDerWaalsContact CE1-CB 3.45Å; Y26-L40 HydrophobicContact CE1-CD1 4.3Å; Y26-L40 HydrophobicContact CG-CD1 4.25Å; F29-L40 HydrophobicContact CB-CD1 3.96Å; E30-L40 HydrophobicContact CG-CB 4.48Å; E30-L40 HydrophobicContact CG-CD1 4.08Å; E30-L40 HydrophobicContact CG-CG 4.31Å; G38-L40 PolarHBondContact O-N 3.43Å; L40-V43 HydrophobicContact CD1-CG2 3.99Å; L40-L52 HydrophobicContact CD2-CB 3.96Å; L40-R53 CarbonylContact C-O 3.48Å; L40-R53 WeakPolarHBondContact CA-O 3.29Å; L40-R53 WeakPolarHBondContact CD2-O 3.39Å; L40-F54 HydrophobicContact CD2-CD1 3.58Å; L40-F54 HydrophobicContact CD2-CD2 4.15Å; L40-F54 HydrophobicContact CD2-CE1 3.48Å; L40-F54 VanDerWaalsContact CD2-CE1 3.48Å; L40-F54 HydrophobicContact CD2-CE2 4.06Å; L40-F54 HydrophobicContact CD2-CG 3.92Å; L40-F54 HydrophobicContact CD2-CZ 3.73Å; L40-F54 HydrophobicContact CG-CD1 4.02Å; L40-F54 HydrophobicContact CG-CE1 3.88Å |
| 41 | E | 85.7 | Confident | 78.7 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -34.2 | 174.5 | -170.5 | -178.7 | 178.3 | 0 | 0 | 111.1 | R53 | E41-R53 HydrophobicContact CB-CG 4.24Å; E41-R53 VanDerWaalsContact CD-NE 3.28Å; E41-R53 PolarHBondContact N-O 2.76Å; E41-R53 IonicContact OE1-CZ 3.04Å; E41-R53 IonicContact OE1-NE 3.19Å; E41-R53 IonicContact OE1-NH2 3.71Å; E41-R53 PolarHBondContact OE1-NH2 3.04Å; E41-R53 IonicContact OE2-CZ 3.82Å; E41-R53 VanDerWaalsContact OE2-CZ 3.31Å; E41-R53 IonicContact OE2-NE 3.51Å; E41-R53 PolarHBondContact OE2-NE 3.22Å; E41-R53 IonicContact OE2-NH2 2.76Å; E41-R53 PolarHBondContact OE2-NH2 2.93Å; E41-R53 VanDerWaalsContact OE2-NH2 3.11Å |
| 42 | S | 83 | Confident | 79.1 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 160.1 | 170.6 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | R53 | S42-R53 PolarHBondContact N-O 2.89Å; S42-R53 PolarHBondContact O-N 3.33Å |
| 43 | V | 83 | Confident | 79.4 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 118.2 | 168.7 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | E22 L25 Y26 L40 I45 V51 L52 | E22-V43 HydrophobicContact CG-CB 3.81Å; E22-V43 HydrophobicContact CG-CG1 3.78Å; L25-V43 HydrophobicContact CB-CG1 4.15Å; L25-V43 HydrophobicContact CD1-CG1 3.87Å; Y26-V43 HydrophobicContact CD1-CG2 4.45Å; Y26-V43 HydrophobicContact CD2-CB 4.3Å; Y26-V43 HydrophobicContact CD2-CG2 3.75Å; Y26-V43 HydrophobicContact CE1-CG2 4.23Å; Y26-V43 HydrophobicContact CE2-CB 3.79Å; Y26-V43 HydrophobicContact CE2-CG2 3.49Å; Y26-V43 VanDerWaalsContact CE2-CG2 3.49Å; Y26-V43 HydrophobicContact CG-CG2 4.23Å; L40-V43 HydrophobicContact CD1-CG2 3.99Å; V43-I45 HydrophobicContact CG1-CG1 4.37Å; V43-V51 WeakPolarHBondContact CA-O 3.3Å; V43-L52 HydrophobicContact CB-CD2 4.32Å; V43-L52 HydrophobicContact CG1-CD2 3.89Å; V43-L52 HydrophobicContact CG2-CD2 3.7Å |
| 44 | E | 80.3 | Confident | 80 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 107 | 176.4 | -69 | 175.7 | -154 | 0 | 0 | 110.2 | K46 A50 V51 | E44-K46 WeakPolarHBondContact OE2-CE 3.38Å; E44-K46 IonicContact OE2-NZ 2.68Å; E44-K46 PolarHBondContact OE2-NZ 2.98Å; E44-A50 CarbonylContact O-C 3.52Å; E44-A50 WeakPolarHBondContact O-CA 3.34Å; E44-V51 HydrophobicContact CB-CB 4.35Å; E44-V51 PolarHBondContact N-O 2.94Å; E44-V51 PolarHBondContact O-N 3.1Å |
| 45 | I | 78.9 | Confident | 80.4 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.1 | 174.2 | -53.9 | -180 | 0 | 0 | 0 | 110.1 | L16 E22 L25 V43 A50 | L16-I45 HydrophobicContact CD1-CG2 4.46Å; E22-I45 HydrophobicContact CB-CD1 4.21Å; L25-I45 HydrophobicContact CD1-CD1 3.93Å; L25-I45 HydrophobicContact CD1-CG1 3.96Å; V43-I45 HydrophobicContact CG1-CG1 4.37Å; I45-A50 HydrophobicContact CG1-CB 4.14Å |
| 46 | K | 71.7 | Confident | 80.7 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 92.4 | -180 | -67.8 | 174.4 | -174 | 162.3 | 0 | 109.4 | E44 N48 C49 | E44-K46 WeakPolarHBondContact OE2-CE 3.38Å; E44-K46 IonicContact OE2-NZ 2.68Å; E44-K46 PolarHBondContact OE2-NZ 2.98Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3.07Å; K46-C49 CarbonylContact C-O 3.55Å; K46-C49 PolarHBondContact N-O 2.98Å; K46-C49 PolarHBondContact O-N 3.02Å |
| 47 | Q | 70.8 | Confident | 81 | Confident | 202 Ų | 202 | 54.6 Ų | 54.6 | 94% | 0.944 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -77.1 | 180 | -61.4 | 177.4 | -14.9 | 0 | 0 | 115.1 | ||
| 48 | N | 73.2 | Confident | 81.1 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 4.9 | -175.1 | -169 | 7.4 | 0 | 0 | 0 | 112.2 | E15 L16 K46 | E15-N48 PolarHBondContact N-O 3.45Å; L16-N48 PolarHBondContact N-O 3.4Å; L16-N48 PolarHBondContact N-OD1 2.72Å; L16-N48 VanDerWaalsContact N-OD1 3.09Å; L16-N48 PolarHBondContact O-OD1 3.21Å; L16-N48 VanDerWaalsContact O-OD1 3.09Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3.07Å |
| 49 | C | 76.1 | Confident | 81.1 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 163.3 | 168.8 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | E12 V13 L14 L16 K46 | E12-C49 HydrophobicContact CG-CB 4.45Å; V13-C49 CarbonylContact O-C 3.5Å; V13-C49 WeakPolarHBondContact O-CA 3.29Å; V13-C49 WeakPolarHBondContact O-CB 3.2Å; L14-C49 HydrophobicContact CD2-CB 3.75Å; L16-C49 VanDerWaalsContact CD1-C 3.42Å; K46-C49 CarbonylContact C-O 3.55Å; K46-C49 PolarHBondContact N-O 2.98Å; K46-C49 PolarHBondContact O-N 3.02Å |
| 50 | A | 80.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V13 L16 L25 E44 I45 | V13-A50 PolarHBondContact N-O 3.27Å; V13-A50 PolarHBondContact O-N 2.54Å; L16-A50 HydrophobicContact CD1-CB 3.57Å; L25-A50 HydrophobicContact CD1-CB 3.74Å; E44-A50 CarbonylContact O-C 3.52Å; E44-A50 WeakPolarHBondContact O-CA 3.34Å; I45-A50 HydrophobicContact CG1-CB 4.14Å |
| 51 | V | 84.8 | Confident | 81.2 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.8 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | T10 V43 E44 | T10-V51 HydrophobicContact CG2-CG1 3.37Å; V43-V51 WeakPolarHBondContact CA-O 3.3Å; E44-V51 HydrophobicContact CB-CB 4.35Å; E44-V51 PolarHBondContact N-O 2.94Å; E44-V51 PolarHBondContact O-N 3.1Å |
| 52 | L | 85 | Confident | 81.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130.6 | 175.6 | -53.8 | 177.9 | 0 | 0 | 0 | 109.4 | T10 V11 V13 L25 F29 L40 V43 F54 | T10-L52 CarbonylContact C-O 3.45Å; T10-L52 WeakPolarHBondContact CA-O 3.42Å; V11-L52 HydrophobicContact CB-CB 4.37Å; V11-L52 PolarHBondContact N-O 3.19Å; V11-L52 PolarHBondContact O-N 3.02Å; V13-L52 HydrophobicContact CG2-CD1 3.49Å; V13-L52 VanDerWaalsContact CG2-CD1 3.49Å; V13-L52 HydrophobicContact CG2-CG 3.86Å; L25-L52 HydrophobicContact CB-CD2 4.49Å; F29-L52 HydrophobicContact CB-CD1 3.91Å; F29-L52 HydrophobicContact CD1-CD1 3.54Å; F29-L52 HydrophobicContact CD2-CD1 3.54Å; F29-L52 HydrophobicContact CD2-CD2 4.33Å; F29-L52 HydrophobicContact CE1-CD1 3.88Å; F29-L52 HydrophobicContact CE2-CD1 3.89Å; F29-L52 HydrophobicContact CG-CD1 3.36Å; F29-L52 HydrophobicContact CZ-CD1 4.05Å; L40-L52 HydrophobicContact CD2-CB 3.96Å; V43-L52 HydrophobicContact CB-CD2 4.32Å; V43-L52 HydrophobicContact CG1-CD2 3.89Å; V43-L52 HydrophobicContact CG2-CD2 3.7Å; L52-F54 HydrophobicContact CB-CE2 4.08Å; L52-F54 HydrophobicContact CB-CZ 4.49Å; L52-F54 HydrophobicContact CD1-CE2 4.43Å; L52-F54 HydrophobicContact CD1-CZ 4.29Å |
| 53 | R | 85.3 | Confident | 81.2 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 120.6 | 173.9 | -176.8 | 173.6 | 158.2 | 177.1 | -13.6 | 109.7 | L40 E41 S42 | L40-R53 CarbonylContact C-O 3.48Å; L40-R53 WeakPolarHBondContact CA-O 3.29Å; L40-R53 WeakPolarHBondContact CD2-O 3.39Å; E41-R53 HydrophobicContact CB-CG 4.24Å; E41-R53 VanDerWaalsContact CD-NE 3.28Å; E41-R53 PolarHBondContact N-O 2.76Å; E41-R53 IonicContact OE1-CZ 3.04Å; E41-R53 IonicContact OE1-NE 3.19Å; E41-R53 IonicContact OE1-NH2 3.71Å; E41-R53 PolarHBondContact OE1-NH2 3.04Å; E41-R53 IonicContact OE2-CZ 3.82Å; E41-R53 VanDerWaalsContact OE2-CZ 3.31Å; E41-R53 IonicContact OE2-NE 3.51Å; E41-R53 PolarHBondContact OE2-NE 3.22Å; E41-R53 IonicContact OE2-NH2 2.76Å; E41-R53 PolarHBondContact OE2-NH2 2.93Å; E41-R53 VanDerWaalsContact OE2-NH2 3.11Å; S42-R53 PolarHBondContact N-O 2.89Å; S42-R53 PolarHBondContact O-N 3.33Å |
| 54 | F | 85.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 152.5 | -179.6 | -65.9 | -86.8 | 0 | 0 | 0 | 111.8 | R9 V11 F29 G38 P39 L40 L52 D56 A59 A60 V63 | R9-F54 WeakPolarHBondContact CB-O 3.35Å; R9-F54 WeakPolarHBondContact CD-O 3.44Å; R9-F54 PolarHBondContact O-N 3.32Å; V11-F54 HydrophobicContact CB-CE2 4.15Å; V11-F54 HydrophobicContact CG2-CD2 4.19Å; V11-F54 HydrophobicContact CG2-CE2 3.84Å; F29-F54 HydrophobicContact CB-CZ 4.24Å; G38-F54 WeakPolarHBondContact O-CD1 3.39Å; G38-F54 WeakPolarHBondContact O-CE1 3.46Å; P39-F54 WeakPolarHBondContact O-CA 3.42Å; L40-F54 HydrophobicContact CD2-CD1 3.58Å; L40-F54 HydrophobicContact CD2-CD2 4.15Å; L40-F54 HydrophobicContact CD2-CE1 3.48Å; L40-F54 VanDerWaalsContact CD2-CE1 3.48Å; L40-F54 HydrophobicContact CD2-CE2 4.06Å; L40-F54 HydrophobicContact CD2-CG 3.92Å; L40-F54 HydrophobicContact CD2-CZ 3.73Å; L40-F54 HydrophobicContact CG-CD1 4.02Å; L40-F54 HydrophobicContact CG-CE1 3.88Å; L52-F54 HydrophobicContact CB-CE2 4.08Å; L52-F54 HydrophobicContact CB-CZ 4.49Å; L52-F54 HydrophobicContact CD1-CE2 4.43Å; L52-F54 HydrophobicContact CD1-CZ 4.29Å; F54-D56 WeakPolarHBondContact CB-O 3.37Å; F54-D56 PolarHBondContact O-N 3.43Å; F54-A59 HydrophobicContact CB-CB 4.08Å; F54-A59 HydrophobicContact CD1-CB 3.78Å; F54-A59 HydrophobicContact CE1-CB 4.47Å; F54-A59 HydrophobicContact CG-CB 3.99Å; F54-A60 HydrophobicContact CD2-CB 3.9Å; F54-V63 HydrophobicContact CE1-CG2 4.47Å; F54-V63 HydrophobicContact CE2-CG2 4.46Å; F54-V63 HydrophobicContact CZ-CG2 3.88Å |
| 55 | E | 84.1 | Confident | 81.1 | Confident | 123 Ų | 123 | 60.1 Ų | 60.1 | 58% | 0.575 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61.8 | -32.1 | 169.1 | -67.2 | -171.3 | 148.7 | 0 | 0 | 111.9 | P39 | P39-E55 HydrophobicContact CB-CB 4.41Å; P39-E55 HydrophobicContact CB-CG 3.9Å; P39-E55 VanDerWaalsContact CB-OE2 3.29Å; P39-E55 WeakPolarHBondContact CB-OE2 3.42Å; P39-E55 PolarHBondContact O-N 3.33Å |
| 56 | D | 83.9 | Confident | 81 | Confident | 61 Ų | 61 | 61 Ų | 61 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -121.2 | 131.4 | -170.4 | 166.7 | 33.9 | 0 | 0 | 0 | 111.8 | F54 E58 A59 R62 | F54-D56 WeakPolarHBondContact CB-O 3.37Å; F54-D56 PolarHBondContact O-N 3.43Å; D56-E58 VanDerWaalsContact C-N 3.31Å; D56-E58 PolarHBondContact O-N 3.25Å; D56-E58 PolarHBondContact OD1-N 3.35Å; D56-E58 WeakPolarHBondContact OD2-CB 3.35Å; D56-A59 HydrophobicContact CB-CB 4.28Å; D56-A59 WeakPolarHBondContact O-CB 3.38Å; D56-A59 PolarHBondContact O-N 3.35Å; D56-A59 PolarHBondContact OD2-N 3.23Å; D56-R62 IonicContact OD2-NH2 2.93Å; D56-R62 PolarHBondContact OD2-NH2 3.04Å |
| 57 | A | 83.5 | Confident | 80.4 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -30.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G8 R9 A59 A60 A61 | G8-A57 WeakPolarHBondContact O-CA 3.35Å; G8-A57 VanDerWaalsContact O-CB 3.3Å; G8-A57 WeakPolarHBondContact O-CB 3.39Å; R9-A57 HydrophobicContact CG-CB 4.07Å; A57-A59 VanDerWaalsContact C-N 3.26Å; A57-A59 PolarHBondContact O-N 2.74Å; A57-A60 PolarHBondContact O-N 3.4Å; A57-A61 PolarHBondContact O-N 3.32Å |
| 58 | E | 81.8 | Confident | 80.6 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.5 | -27 | 175.7 | -52 | -174.9 | 172.7 | 0 | 0 | 111.9 | D56 A61 R62 | D56-E58 VanDerWaalsContact C-N 3.31Å; D56-E58 PolarHBondContact O-N 3.25Å; D56-E58 PolarHBondContact OD1-N 3.35Å; D56-E58 WeakPolarHBondContact OD2-CB 3.35Å; E58-A61 PolarHBondContact O-N 2.93Å; E58-R62 VanDerWaalsContact C-CZ 3.46Å; E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 VanDerWaalsContact O-CG 3.26Å; E58-R62 WeakPolarHBondContact O-CG 3.49Å; E58-R62 VanDerWaalsContact O-CZ 3.3Å; E58-R62 PolarHBondContact O-N 2.97Å; E58-R62 PolarHBondContact O-NE 3.49Å; E58-R62 IonicContact OE2-NH1 2.69Å; E58-R62 PolarHBondContact OE2-NH1 2.97Å |
| 59 | A | 83 | Confident | 81 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F54 D56 A57 A61 R62 V63 | F54-A59 HydrophobicContact CB-CB 4.08Å; F54-A59 HydrophobicContact CD1-CB 3.78Å; F54-A59 HydrophobicContact CE1-CB 4.47Å; F54-A59 HydrophobicContact CG-CB 3.99Å; D56-A59 HydrophobicContact CB-CB 4.28Å; D56-A59 WeakPolarHBondContact O-CB 3.38Å; D56-A59 PolarHBondContact O-N 3.35Å; D56-A59 PolarHBondContact OD2-N 3.23Å; A57-A59 VanDerWaalsContact C-N 3.26Å; A57-A59 PolarHBondContact O-N 2.74Å; A59-A61 PolarHBondContact O-N 2.88Å; A59-R62 VanDerWaalsContact CA-NH2 3.28Å; A59-R62 VanDerWaalsContact N-NH2 3.16Å; A59-R62 PolarHBondContact O-N 3.02Å; A59-V63 WeakPolarHBondContact O-CG2 3.39Å; A59-V63 PolarHBondContact O-N 3.45Å |
| 60 | A | 83.4 | Confident | 81 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -48.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V11 F54 A57 R62 V63 L64 | V11-A60 HydrophobicContact CG2-CB 3.61Å; F54-A60 HydrophobicContact CD2-CB 3.9Å; A57-A60 PolarHBondContact O-N 3.4Å; A60-R62 PolarHBondContact O-N 3.27Å; A60-V63 PolarHBondContact O-N 3.43Å; A60-L64 WeakPolarHBondContact O-CG 3.41Å; A60-L64 PolarHBondContact O-N 3.43Å |
| 61 | A | 81.6 | Confident | 80.7 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A57 E58 A59 S65 | A57-A61 PolarHBondContact O-N 3.32Å; E58-A61 PolarHBondContact O-N 2.93Å; A59-A61 PolarHBondContact O-N 2.88Å; A61-S65 WeakPolarHBondContact O-CB 3.41Å; A61-S65 PolarHBondContact O-N 2.89Å |
| 62 | R | 83.4 | Confident | 79.7 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.4 | -76.5 | -179 | -63.9 | -97 | -3.4 | 112.4 | G36 D56 E58 A59 A60 S65 K66 | G36-R62 WeakPolarHBondContact O-CB 3.31Å; G36-R62 PolarHBondContact O-NE 3.48Å; D56-R62 IonicContact OD2-NH2 2.93Å; D56-R62 PolarHBondContact OD2-NH2 3.04Å; E58-R62 VanDerWaalsContact C-CZ 3.46Å; E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 VanDerWaalsContact O-CG 3.26Å; E58-R62 WeakPolarHBondContact O-CG 3.49Å; E58-R62 VanDerWaalsContact O-CZ 3.3Å; E58-R62 PolarHBondContact O-N 2.97Å; E58-R62 PolarHBondContact O-NE 3.49Å; E58-R62 IonicContact OE2-NH1 2.69Å; E58-R62 PolarHBondContact OE2-NH1 2.97Å; A59-R62 VanDerWaalsContact CA-NH2 3.28Å; A59-R62 VanDerWaalsContact N-NH2 3.16Å; A59-R62 PolarHBondContact O-N 3.02Å; A60-R62 PolarHBondContact O-N 3.27Å; R62-S65 PolarHBondContact O-N 2.92Å; R62-S65 PolarHBondContact O-OG 3.06Å; R62-K66 PolarHBondContact O-N 2.79Å |
| 63 | V | 84.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -52 | 175.5 | 169 | 0 | 0 | 0 | 0 | 110 | V11 F29 G37 F54 A59 A60 S65 K66 H69 V78 | V11-V63 HydrophobicContact CG1-CG1 4.31Å; F29-V63 HydrophobicContact CD1-CG1 3.94Å; F29-V63 HydrophobicContact CD1-CG2 4.35Å; F29-V63 HydrophobicContact CE1-CG1 3.82Å; G37-V63 VanDerWaalsContact CA-CG2 3.44Å; F54-V63 HydrophobicContact CE1-CG2 4.47Å; F54-V63 HydrophobicContact CE2-CG2 4.46Å; F54-V63 HydrophobicContact CZ-CG2 3.88Å; A59-V63 WeakPolarHBondContact O-CG2 3.39Å; A59-V63 PolarHBondContact O-N 3.45Å; A60-V63 PolarHBondContact O-N 3.43Å; V63-S65 VanDerWaalsContact C-N 3.26Å; V63-S65 PolarHBondContact O-N 3.35Å; V63-K66 WeakPolarHBondContact O-CB 3.37Å; V63-K66 PolarHBondContact O-N 3.07Å; V63-H69 PolarHBondContact O-NE2 3.19Å; V63-V78 HydrophobicContact CG1-CG1 3.93Å |
| 64 | L | 81.8 | Confident | 78 | Confident | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.4 | -37.7 | 176.8 | -67.3 | 166.9 | 0 | 0 | 0 | 112.7 | V11 A60 K66 V78 K80 | V11-L64 HydrophobicContact CG1-CD2 4.2Å; V11-L64 HydrophobicContact CG2-CD1 4.38Å; V11-L64 HydrophobicContact CG2-CG 4.26Å; A60-L64 WeakPolarHBondContact O-CG 3.41Å; A60-L64 PolarHBondContact O-N 3.43Å; L64-K66 PolarHBondContact O-N 2.74Å; L64-V78 HydrophobicContact CD2-CG1 4.4Å; L64-K80 HydrophobicContact CD1-CG 3.88Å; L64-K80 HydrophobicContact CD2-CG 4.46Å |
| 65 | S | 79.5 | Confident | 77.6 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.6 | 179 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | A61 R62 V63 | A61-S65 WeakPolarHBondContact O-CB 3.41Å; A61-S65 PolarHBondContact O-N 2.89Å; R62-S65 PolarHBondContact O-N 2.92Å; R62-S65 PolarHBondContact O-OG 3.06Å; V63-S65 VanDerWaalsContact C-N 3.26Å; V63-S65 PolarHBondContact O-N 3.35Å |
| 66 | K | 76.5 | Confident | 77.3 | Confident | 91 Ų | 91 | 63 Ų | 63 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -22.6 | -172 | -167.7 | 162.4 | -171.2 | 173.5 | 0 | 113.5 | R33 R34 S35 R62 V63 L64 H68 H69 | R33-K66 PolarHBondContact O-NZ 3.33Å; R34-K66 PolarHBondContact O-NZ 2.92Å; S35-K66 WeakPolarHBondContact O-CD 3.35Å; R62-K66 PolarHBondContact O-N 2.79Å; V63-K66 WeakPolarHBondContact O-CB 3.37Å; V63-K66 PolarHBondContact O-N 3.07Å; L64-K66 PolarHBondContact O-N 2.74Å; K66-H68 PolarHBondContact O-N 3.11Å; K66-H69 WeakPolarHBondContact CB-NE2 3.42Å |
| 67 | G | 60.3 | Low | 77 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 73% | 0.732 | 36% | 0.356 | S | S | * | . | trans | 71 | -25.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 68 | H | 74.3 | Confident | 76.9 | Confident | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.468 | 35% | 0.346 | S | S | . | . | trans | -142.7 | 123.4 | -179.6 | -179.3 | 40.2 | 0 | 0 | 0 | 110 | K66 E75 | K66-H68 PolarHBondContact O-N 3.11Å; H68-E75 IonicContact CE1-OE1 3.67Å; H68-E75 PolarHBondContact CE1-OE1 2.7Å; H68-E75 IonicContact CE1-OE2 3.19Å; H68-E75 IonicContact CG-OE1 2.96Å; H68-E75 VanDerWaalsContact ND1-CD 3.3Å; H68-E75 IonicContact ND1-OE1 3.94Å; H68-E75 PolarHBondContact ND1-OE1 3.07Å | ||
| 69 | H | 81.1 | Confident | 76.8 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.3 | 177.7 | -64 | -80.8 | 0 | 0 | 0 | 109.7 | Y28 S35 V63 K66 E75 L76 V78 | Y28-H69 HydrophobicContact CE1-CB 4.08Å; Y28-H69 AromaticContact CE1-CE1 2.87Å; Y28-H69 WeakPolarHBondContact CE1-CE1 3.37Å; Y28-H69 AromaticContact CE1-ND1 3.64Å; Y28-H69 AromaticContact CZ-CE1 3.09Å; Y28-H69 AromaticContact CZ-ND1 3.99Å; Y28-H69 WeakPolarHBondContact OH-CA 3.29Å; Y28-H69 PolarHBondContact OH-CE1 2.72Å; Y28-H69 PolarHBondContact OH-ND1 3.5Å; S35-H69 VanDerWaalsContact C-NE2 3.32Å; S35-H69 WeakPolarHBondContact CA-NE2 3.36Å; S35-H69 PolarHBondContact O-NE2 3.08Å; V63-H69 PolarHBondContact O-NE2 3.19Å; K66-H69 WeakPolarHBondContact CB-NE2 3.42Å; H69-E75 WeakPolarHBondContact O-CA 3.4Å; H69-L76 HydrophobicContact CB-CB 4.19Å; H69-L76 PolarHBondContact O-N 3.2Å; H69-V78 HydrophobicContact CB-CG2 4.29Å; H69-V78 WeakPolarHBondContact CD2-CG2 3.39Å |
| 70 | V | 77.4 | Confident | 76.4 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 124.7 | -178.6 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | Y28 S74 | Y28-V70 WeakPolarHBondContact CE2-O 3.1Å; Y28-V70 PolarHBondContact OH-N 3.31Å; V70-S74 WeakPolarHBondContact CA-O 3.1Å |
| 71 | V | 73.4 | Confident | 75.8 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.1 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 108 | I20 Y28 N73 S74 L76 | I20-V71 HydrophobicContact CD1-CB 4.12Å; I20-V71 HydrophobicContact CD1-CG1 3.78Å; Y28-V71 HydrophobicContact CD1-CG2 3.82Å; Y28-V71 HydrophobicContact CD2-CG2 3.68Å; Y28-V71 HydrophobicContact CE1-CG2 4.11Å; Y28-V71 HydrophobicContact CE2-CG2 3.97Å; Y28-V71 HydrophobicContact CG-CG2 3.59Å; V71-N73 PolarHBondContact O-N 3.19Å; V71-N73 VanDerWaalsContact O-N 3.14Å; V71-S74 PolarHBondContact N-O 3.14Å; V71-S74 PolarHBondContact O-N 3.07Å; V71-L76 HydrophobicContact CB-CD1 3.86Å; V71-L76 HydrophobicContact CB-CG 4.42Å; V71-L76 HydrophobicContact CG2-CD1 3.52Å; V71-L76 HydrophobicContact CG2-CG 4.37Å |
| 72 | H | 65 | Low | 75 | Confident | 141 Ų | 141 | 61.8 Ų | 61.8 | 65% | 0.653 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37.2 | -179.3 | -80.3 | -99.2 | 0 | 0 | 0 | 115.4 | S74 | H72-S74 PolarHBondContact O-N 2.91Š|
| 73 | N | 66.4 | Low | 74.3 | Confident | 161 Ų | 161 | 60 Ų | 60 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 4.2 | -174.7 | -60.4 | -14.8 | 0 | 0 | 0 | 116 | V71 | V71-N73 PolarHBondContact O-N 3.19Å; V71-N73 VanDerWaalsContact O-N 3.14Å |
| 74 | S | 67.3 | Low | 73.7 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.3 | 166.5 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | P17 V70 V71 H72 | P17-S74 VanDerWaalsContact CG-CB 3.47Å; P17-S74 WeakPolarHBondContact CG-OG 3.44Å; V70-S74 WeakPolarHBondContact CA-O 3.1Å; V71-S74 PolarHBondContact N-O 3.14Å; V71-S74 PolarHBondContact O-N 3.07Å; H72-S74 PolarHBondContact O-N 2.91Å |
| 75 | E | 76.6 | Confident | 73.3 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.6 | 169.1 | -179.6 | 163.8 | -166.2 | 0 | 0 | 109 | H68 H69 | H68-E75 IonicContact CE1-OE1 3.67Å; H68-E75 PolarHBondContact CE1-OE1 2.7Å; H68-E75 IonicContact CE1-OE2 3.19Å; H68-E75 IonicContact CG-OE1 2.96Å; H68-E75 VanDerWaalsContact ND1-CD 3.3Å; H68-E75 IonicContact ND1-OE1 3.94Å; H68-E75 PolarHBondContact ND1-OE1 3.07Å; H69-E75 WeakPolarHBondContact O-CA 3.4Å |
| 76 | L | 79.3 | Confident | 73 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.2 | 179.7 | -60.4 | -173.8 | 0 | 0 | 0 | 109.6 | V13 E15 L16 F29 H69 V71 | V13-L76 HydrophobicContact CG1-CB 4.05Å; V13-L76 HydrophobicContact CG1-CD1 3.96Å; V13-L76 HydrophobicContact CG1-CG 4.45Å; E15-L76 WeakPolarHBondContact O-CD2 3.46Å; L16-L76 HydrophobicContact CD2-CD1 4.15Å; L16-L76 HydrophobicContact CD2-CD2 3.98Å; F29-L76 HydrophobicContact CE2-CD1 4.4Å; H69-L76 HydrophobicContact CB-CB 4.19Å; H69-L76 PolarHBondContact O-N 3.2Å; V71-L76 HydrophobicContact CB-CD1 3.86Å; V71-L76 HydrophobicContact CB-CG 4.42Å; V71-L76 HydrophobicContact CG2-CD1 3.52Å; V71-L76 HydrophobicContact CG2-CG 4.37Å |
| 77 | S | 76.5 | Confident | 72.9 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.8 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L14 E15 | L14-S77 PolarHBondContact N-O 2.9Å; E15-S77 WeakPolarHBondContact OE2-CB 3.47Å |
| 78 | V | 82.1 | Confident | 73.9 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 16% | 0.158 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 120.6 | -171.7 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | V11 E12 V13 F29 V63 L64 H69 | V11-V78 HydrophobicContact CG1-CG1 3.23Å; E12-V78 WeakPolarHBondContact O-CA 3.41Å; V13-V78 HydrophobicContact CG1-CG2 4.34Å; V13-V78 HydrophobicContact CG2-CG1 4.42Å; V13-V78 HydrophobicContact CG2-CG2 4.19Å; F29-V78 HydrophobicContact CE1-CG2 4.36Å; F29-V78 HydrophobicContact CZ-CG2 4.21Å; V63-V78 HydrophobicContact CG1-CG1 3.93Å; L64-V78 HydrophobicContact CD2-CG1 4.4Å; H69-V78 HydrophobicContact CB-CG2 4.29Å; H69-V78 WeakPolarHBondContact CD2-CG2 3.39Å |
| 79 | R | 78.3 | Confident | 74.5 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 171.7 | -177.4 | 63.3 | 174.3 | -167.8 | -168.9 | 1.9 | 111.6 | E12 L14 D167 | E12-R79 HydrophobicContact CB-CG 4.24Å; E12-R79 PolarHBondContact N-O 2.72Å; E12-R79 PolarHBondContact O-N 2.94Å; E12-R79 VanDerWaalsContact O-O 3.13Å; E12-R79 IonicContact OE1-NH2 2.7Å; E12-R79 IonicContact OE2-CZ 2.64Å; E12-R79 IonicContact OE2-NE 3.44Å; E12-R79 PolarHBondContact OE2-NE 2.88Å; E12-R79 IonicContact OE2-NH2 3.76Å; E12-R79 PolarHBondContact OE2-NH2 2.93Å; L14-R79 HydrophobicContact CD1-CG 4.37Å; R79-D167 IonicContact CZ-OD2 3.27Å; R79-D167 IonicContact NH1-OD2 2.68Å; R79-D167 PolarHBondContact NH1-OD2 2.76Å; R79-D167 IonicContact NH2-OD2 2.68Å |
| 80 | K | 76.2 | Confident | 74.8 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 147.1 | 163.1 | -59.1 | 172.9 | -159.8 | 155.5 | 0 | 108 | L64 Y215 E216 | L64-K80 HydrophobicContact CD1-CG 3.88Å; L64-K80 HydrophobicContact CD2-CG 4.46Å; K80-Y215 HydrophobicContact CB-CE1 4.38Å; K80-E216 IonicContact NZ-OE1 3.84Å; K80-E216 PolarHBondContact NZ-OE1 2.79Å; K80-E216 IonicContact NZ-OE2 3.31Å |
| 81 | P | 70.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 148.7 | 166.4 | 29.5 | -36.7 | 0 | 0 | 0 | 110 | T10 E12 S83 | T10-P81 HydrophobicContact CG2-CG 3.96Å; T10-P81 WeakPolarHBondContact O-CD 3.41Å; E12-P81 HydrophobicContact CB-CB 4.48Å; P81-S83 PolarHBondContact O-N 2.77Å |
| 82 | P | 65.1 | Low | 75.8 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.1 | 177.3 | 26.5 | -34.6 | 0 | 0 | 0 | 110.1 | E164 Y215 | P82-E164 HydrophobicContact CB-CB 4.23Å; P82-E164 HydrophobicContact CG-CB 4.18Å; P82-Y215 HydrophobicContact CB-CD1 4.22Å; P82-Y215 HydrophobicContact CB-CG 4.45Å |
| 83 | S | 67.4 | Low | 76.5 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 155.3 | 176.3 | 90.8 | 0 | 0 | 0 | 0 | 110.2 | P81 D85 Q165 | P81-S83 PolarHBondContact O-N 2.77Å; S83-D85 PolarHBondContact O-N 2.87Å; S83-Q165 WeakPolarHBondContact O-CG 3.39Å; S83-Q165 PolarHBondContact O-N 2.92Å; S83-Q165 PolarHBondContact OG-OE1 2.79Å |
| 84 | K | 74.1 | Confident | 77.4 | Confident | 111 Ų | 111 | 43.8 Ų | 43.8 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 124.1 | 177.9 | -62.7 | -165.7 | 176.8 | -166.5 | 0 | 110.2 | R86 Q162 I163 | K84-R86 PolarHBondContact O-N 2.98Å; K84-Q162 VanDerWaalsContact CB-CD 3.49Å; K84-Q162 HydrophobicContact CB-CG 4.03Å; K84-Q162 PolarHBondContact O-NE2 2.8Å; K84-I163 CarbonylContact C-O 3.54Å; K84-I163 WeakPolarHBondContact CA-O 3.46Å |
| 85 | D | 71.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 123.2 | -179 | -166.2 | -37.8 | 0 | 0 | 0 | 109.8 | S83 C87 R88 Q162 I163 Q165 | S83-D85 PolarHBondContact O-N 2.87Å; D85-C87 WeakPolarHBondContact OD1-CA 3.38Å; D85-C87 PolarHBondContact OD1-N 2.82Å; D85-R88 HydrophobicContact CB-CB 4.15Å; D85-R88 PolarHBondContact OD1-N 3.13Å; D85-R88 WeakPolarHBondContact OD2-CB 3.14Å; D85-R88 WeakPolarHBondContact OD2-CD 3.34Å; D85-R88 VanDerWaalsContact OD2-CG 3.26Å; D85-R88 WeakPolarHBondContact OD2-CG 3.34Å; D85-R88 IonicContact OD2-CZ 2.67Å; D85-R88 IonicContact OD2-NE 2.9Å; D85-R88 IonicContact OD2-NH1 3.68Å; D85-R88 PolarHBondContact OD2-NH1 2.83Å; D85-Q162 VanDerWaalsContact O-CG 3.23Å; D85-Q162 WeakPolarHBondContact O-CG 3.47Å; D85-Q162 PolarHBondContact O-NE2 3.23Å; D85-I163 HydrophobicContact CB-CG1 4.03Å; D85-I163 PolarHBondContact N-O 2.79Å; D85-Q165 HydrophobicContact CB-CG 4.03Å |
| 86 | R | 73.1 | Confident | 77.8 | Confident | 146 Ų | 146 | 40.1 Ų | 40.1 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -13 | -179.8 | -64.4 | -171.8 | 63.7 | 167.2 | -0.3 | 112.9 | K84 P136 L137 | K84-R86 PolarHBondContact O-N 2.98Å; R86-P136 HydrophobicContact CB-CB 3.77Å; R86-P136 CarbonylContact O-C 3.59Å; R86-P136 WeakPolarHBondContact O-CA 3.37Å; R86-L137 PolarHBondContact NH2-O 2.96Å; R86-L137 WeakPolarHBondContact O-CB 3.23Å; R86-L137 PolarHBondContact O-N 2.72Å |
| 87 | C | 75.1 | Confident | 77.6 | Confident | 32 Ų | 32 | 50 Ų | 50 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -17.5 | 175.1 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | D85 H132 L133 P136 | D85-C87 WeakPolarHBondContact OD1-CA 3.38Å; D85-C87 PolarHBondContact OD1-N 2.82Å; C87-H132 CarbonylContact O-C 3.48Å; C87-H132 WeakPolarHBondContact O-CA 3.14Å; C87-L133 WeakPolarHBondContact O-CB 3.47Å; C87-L133 WeakPolarHBondContact O-CG 3.36Å; C87-L133 PolarHBondContact O-N 2.87Å; C87-P136 VanDerWaalsContact SG-CA 3.59Å |
| 88 | R | 82 | Confident | 77.8 | Confident | 13 Ų | 13 | 48 Ų | 48 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.6 | -174.4 | -55.9 | -179.2 | -167.5 | 106.5 | 1.7 | 112.1 | D85 L130 I131 H132 I163 D219 | D85-R88 HydrophobicContact CB-CB 4.15Å; D85-R88 PolarHBondContact OD1-N 3.13Å; D85-R88 WeakPolarHBondContact OD2-CB 3.14Å; D85-R88 WeakPolarHBondContact OD2-CD 3.34Å; D85-R88 VanDerWaalsContact OD2-CG 3.26Å; D85-R88 WeakPolarHBondContact OD2-CG 3.34Å; D85-R88 IonicContact OD2-CZ 2.67Å; D85-R88 IonicContact OD2-NE 2.9Å; D85-R88 IonicContact OD2-NH1 3.68Å; D85-R88 PolarHBondContact OD2-NH1 2.83Å; R88-L130 HydrophobicContact CB-CD1 4.22Å; R88-I131 WeakPolarHBondContact CA-O 3.19Å; R88-H132 HydrophobicContact CG-CB 4.48Å; R88-I163 HydrophobicContact CB-CD1 3.67Å; R88-I163 HydrophobicContact CB-CG1 4Å; R88-D219 IonicContact CZ-OD1 2.74Å; R88-D219 IonicContact NH1-OD1 3.47Å; R88-D219 PolarHBondContact NH1-OD1 3.45Å; R88-D219 IonicContact NH2-OD1 3.5Å; R88-D219 PolarHBondContact NH2-OD1 3Å |
| 89 | L | 86.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.1 | -176.6 | -56.8 | 177.8 | 0 | 0 | 0 | 109.9 | M111 I131 L133 L137 F141 L144 L160 Q162 | L89-M111 HydrophobicContact CD1-SD 4.28Å; L89-I131 PolarHBondContact N-O 2.83Å; L89-I131 WeakPolarHBondContact O-CD1 3.28Å; L89-I131 PolarHBondContact O-N 2.87Å; L89-L133 HydrophobicContact CD1-CD1 4.09Å; L89-L133 HydrophobicContact CG-CD1 4.48Å; L89-L137 HydrophobicContact CD1-CD2 4.32Å; L89-F141 HydrophobicContact CD2-CD2 4.12Å; L89-F141 HydrophobicContact CD2-CE2 4.05Å; L89-L144 HydrophobicContact CD1-CD2 4.27Å; L89-L160 HydrophobicContact CB-CD1 4.26Å; L89-L160 HydrophobicContact CD1-CD1 4.28Å; L89-Q162 HydrophobicContact CD2-CB 4.24Å; L89-Q162 HydrophobicContact CD2-CG 3.97Å |
| 90 | L | 86.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.3 | -176.3 | -176 | 66.5 | 0 | 0 | 0 | 111.1 | R92 F128 L160 E161 I163 F241 | L90-R92 HydrophobicContact CD2-CG 4.21Å; L90-R92 HydrophobicContact CG-CG 4.26Å; L90-F128 HydrophobicContact CD1-CB 4.23Å; L90-F128 HydrophobicContact CD1-CD2 3.87Å; L90-F128 HydrophobicContact CD1-CG 4.41Å; L90-L160 CarbonylContact O-C 3.58Å; L90-L160 WeakPolarHBondContact O-CA 3.38Å; L90-L160 PolarHBondContact O-N 2.87Å; L90-E161 HydrophobicContact CB-CB 4.39Å; L90-E161 PolarHBondContact N-O 2.88Å; L90-E161 PolarHBondContact O-N 2.73Å; L90-I163 HydrophobicContact CB-CG2 3.81Å; L90-I163 HydrophobicContact CD2-CG2 4.43Å; L90-F241 HydrophobicContact CD1-CE2 4.04Å; L90-F241 HydrophobicContact CD2-CE2 4.49Å |
| 91 | L | 87.4 | Confident | 78 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 102.6 | 175.4 | -172.6 | 70.4 | 0 | 0 | 0 | 109.7 | V94 I103 F128 V129 I131 I148 L153 V158 | L91-V94 HydrophobicContact CD2-CG2 3.96Å; L91-V94 HydrophobicContact CG-CG2 3.99Å; L91-I103 HydrophobicContact CD2-CG2 4.41Å; L91-F128 CarbonylContact O-C 3.55Å; L91-F128 WeakPolarHBondContact O-CA 3.33Å; L91-F128 WeakPolarHBondContact O-CB 3.45Å; L91-V129 PolarHBondContact N-O 2.78Å; L91-V129 PolarHBondContact O-N 3.46Å; L91-I131 HydrophobicContact CB-CD1 3.66Å; L91-I148 HydrophobicContact CD1-CG2 4.03Å; L91-L153 HydrophobicContact CD2-CD2 4.48Å; L91-V158 HydrophobicContact CD1-CB 3.94Å; L91-V158 HydrophobicContact CD1-CG1 4.41Å |
| 92 | R | 85.4 | Confident | 78.6 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 157.4 | 171.9 | -58.4 | -173.2 | -175.8 | -86.9 | -1.3 | 111.1 | L90 F128 V158 T159 E161 | L90-R92 HydrophobicContact CD2-CG 4.21Å; L90-R92 HydrophobicContact CG-CG 4.26Å; R92-F128 HydrophobicContact CB-CB 4.47Å; R92-F128 HydrophobicContact CG-CB 4.16Å; R92-V158 WeakPolarHBondContact O-CA 3.27Å; R92-V158 WeakPolarHBondContact O-CG1 3.39Å; R92-T159 PolarHBondContact N-O 2.87Å; R92-T159 PolarHBondContact O-N 2.87Å; R92-E161 WeakPolarHBondContact CD-OE1 3.21Å; R92-E161 IonicContact CZ-OE2 2.59Å; R92-E161 VanDerWaalsContact NE-CD 3.27Å; R92-E161 IonicContact NE-OE1 2.67Å; R92-E161 PolarHBondContact NE-OE1 2.89Å; R92-E161 IonicContact NE-OE2 3.84Å; R92-E161 PolarHBondContact NE-OE2 3.45Å; R92-E161 IonicContact NH2-OE2 3.02Å; R92-E161 PolarHBondContact NH2-OE2 2.9Å |
| 93 | G | 79.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | trans | 89.3 | 19.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G127 S156 E157 V158 | G93-G127 PolarHBondContact N-O 3.48Å; G93-G127 VanDerWaalsContact N-O 3.14Å; G93-S156 VanDerWaalsContact O-CB 3.3Å; G93-S156 WeakPolarHBondContact O-CB 3.17Å; G93-E157 WeakPolarHBondContact CA-O 3.27Å; G93-V158 VanDerWaalsContact O-CG1 3.3Å; G93-V158 WeakPolarHBondContact O-CG1 3.38Å | ||
| 94 | V | 84.8 | Confident | 80.3 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | trans | -81.4 | 131.9 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | L91 I103 G127 V129 L153 V158 | L91-V94 HydrophobicContact CD2-CG2 3.96Å; L91-V94 HydrophobicContact CG-CG2 3.99Å; V94-I103 HydrophobicContact CG1-CD1 3.72Å; V94-I103 HydrophobicContact CG1-CG1 4.09Å; V94-G127 PolarHBondContact N-O 2.78Å; V94-G127 WeakPolarHBondContact O-CA 3.2Å; V94-V129 HydrophobicContact CG2-CG2 4.21Å; V94-L153 HydrophobicContact CG1-CD2 4.46Å; V94-L153 HydrophobicContact CG2-CD2 4.39Å; V94-V158 HydrophobicContact CG2-CG1 4.35Å | ||
| 95 | S | 77.7 | Confident | 80.7 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | trans | -71 | 135.8 | 176.3 | 160.2 | 0 | 0 | 0 | 0 | 110.5 | Y97 T98 | S95-Y97 PolarHBondContact O-N 2.94Å; S95-Y97 PolarHBondContact OG-N 3.09Å; S95-T98 WeakPolarHBondContact CB-OG1 3.35Å; S95-T98 PolarHBondContact N-OG1 3.24Å; S95-T98 WeakPolarHBondContact O-CB 3.45Å; S95-T98 PolarHBondContact O-N 3.06Å; S95-T98 PolarHBondContact O-OG1 3.2Å | ||
| 96 | P | 74.5 | Confident | 81.3 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 40% | 0.403 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.3 | 177.2 | -26.5 | 35.7 | 0 | 0 | 0 | 115.6 | K126 | P96-K126 HydrophobicContact CB-CB 4.14Å; P96-K126 HydrophobicContact CB-CD 4.34Å; P96-K126 WeakPolarHBondContact O-CD 3.39Å; P96-K126 PolarHBondContact O-NZ 3.06Å; P96-K126 VanDerWaalsContact O-NZ 3.13Å |
| 97 | Y | 75.2 | Confident | 81.9 | Confident | 212 Ų | 212 | 45.2 Ų | 45.2 | 83% | 0.831 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -14.6 | 177.9 | -54.7 | -76.3 | 0 | 0 | 0 | 113.6 | S95 S99 | S95-Y97 PolarHBondContact O-N 2.94Å; S95-Y97 PolarHBondContact OG-N 3.09Å; Y97-S99 PolarHBondContact O-N 2.83Å |
| 98 | T | 81.1 | Confident | 82.4 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -63.2 | 131.3 | 179.4 | -40.3 | 0 | 0 | 0 | 0 | 110.2 | S95 M102 I103 L153 D154 | S95-T98 WeakPolarHBondContact CB-OG1 3.35Å; S95-T98 PolarHBondContact N-OG1 3.24Å; S95-T98 WeakPolarHBondContact O-CB 3.45Å; S95-T98 PolarHBondContact O-N 3.06Å; S95-T98 PolarHBondContact O-OG1 3.2Å; T98-M102 HydrophobicContact CG2-CB 4.01Å; T98-M102 HydrophobicContact CG2-CE 4.09Å; T98-I103 HydrophobicContact CG2-CD1 4.39Å; T98-I103 HydrophobicContact CG2-CG1 3.86Å; T98-L153 HydrophobicContact CG2-CD1 4.2Å; T98-L153 HydrophobicContact CG2-CG 4.31Å; T98-D154 HydrophobicContact CG2-CB 3.97Å; T98-D154 PolarHBondContact OG1-OD2 2.85Å |
| 99 | S | 81.3 | Confident | 82.4 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | trans | -73.2 | 148.9 | 176.1 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | Y97 E101 M102 I103 | Y97-S99 PolarHBondContact O-N 2.83Å; S99-E101 PolarHBondContact O-N 2.82Å; S99-M102 PolarHBondContact O-N 3.42Å; S99-M102 PolarHBondContact OG-N 2.92Å; S99-I103 WeakPolarHBondContact O-CG1 3.48Å; S99-I103 PolarHBondContact O-N 3.23Å | ||
| 100 | T | 79.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -53.2 | -39 | 176.4 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | M102 I103 E104 | T100-M102 PolarHBondContact O-N 2.79Å; T100-I103 WeakPolarHBondContact O-CA 3.35Å; T100-I103 WeakPolarHBondContact O-CB 3.15Å; T100-I103 PolarHBondContact O-N 2.83Å; T100-I103 VanDerWaalsContact O-N 3.08Å; T100-E104 WeakPolarHBondContact O-CG 3.12Å; T100-E104 PolarHBondContact O-N 2.81Å |
| 101 | E | 80.3 | Confident | 81.8 | Confident | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 179.7 | -54.5 | 159.4 | 142 | 0 | 0 | 112.6 | S99 I103 L105 | S99-E101 PolarHBondContact O-N 2.82Å; E101-I103 VanDerWaalsContact C-N 3.35Å; E101-L105 VanDerWaalsContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CB 3.48Å; E101-L105 PolarHBondContact O-N 3.35Å |
| 102 | M | 82.5 | Confident | 81.3 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.6 | -32.7 | 173.6 | -74.7 | -154.7 | -72.6 | 0 | 0 | 111.8 | T98 S99 T100 Y106 D154 | T98-M102 HydrophobicContact CG2-CB 4.01Å; T98-M102 HydrophobicContact CG2-CE 4.09Å; S99-M102 PolarHBondContact O-N 3.42Å; S99-M102 PolarHBondContact OG-N 2.92Å; T100-M102 PolarHBondContact O-N 2.79Å; M102-Y106 VanDerWaalsContact O-CB 3.27Å; M102-Y106 WeakPolarHBondContact O-CB 3.48Å; M102-Y106 PolarHBondContact O-N 3.44Å; M102-D154 HydrophobicContact CE-CB 4.48Å |
| 103 | I | 84.3 | Confident | 81 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.1 | -45.6 | 176.5 | -55.8 | 163.6 | 0 | 0 | 0 | 110 | L91 V94 T98 S99 T100 E101 Y106 V107 L120 V129 L153 | L91-I103 HydrophobicContact CD2-CG2 4.41Å; V94-I103 HydrophobicContact CG1-CD1 3.72Å; V94-I103 HydrophobicContact CG1-CG1 4.09Å; T98-I103 HydrophobicContact CG2-CD1 4.39Å; T98-I103 HydrophobicContact CG2-CG1 3.86Å; S99-I103 WeakPolarHBondContact O-CG1 3.48Å; S99-I103 PolarHBondContact O-N 3.23Å; T100-I103 WeakPolarHBondContact O-CA 3.35Å; T100-I103 WeakPolarHBondContact O-CB 3.15Å; T100-I103 PolarHBondContact O-N 2.83Å; T100-I103 VanDerWaalsContact O-N 3.08Å; E101-I103 VanDerWaalsContact C-N 3.35Å; I103-Y106 PolarHBondContact O-N 3.05Å; I103-V107 WeakPolarHBondContact O-CB 3.5Å; I103-V107 VanDerWaalsContact O-CG2 3.28Å; I103-V107 WeakPolarHBondContact O-CG2 3.3Å; I103-V107 PolarHBondContact O-N 2.89Å; I103-L120 HydrophobicContact CB-CD1 4.32Å; I103-L120 HydrophobicContact CG2-CD1 3.87Å; I103-V129 HydrophobicContact CD1-CG2 4.22Å; I103-V129 HydrophobicContact CG2-CG1 4.45Å; I103-V129 HydrophobicContact CG2-CG2 4.32Å; I103-L153 HydrophobicContact CG1-CD2 4.34Å |
| 104 | E | 84.8 | Confident | 80.8 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.4 | -52.5 | 171.8 | -72.7 | 174.5 | -179.9 | 0 | 0 | 111.2 | T100 Y106 V107 E108 Y118 L120 | T100-E104 WeakPolarHBondContact O-CG 3.12Å; T100-E104 PolarHBondContact O-N 2.81Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 3.09Å; E104-V107 PolarHBondContact O-N 3.47Å; E104-V107 VanDerWaalsContact O-N 3.13Å; E104-E108 PolarHBondContact O-N 2.62Å; E104-Y118 WeakPolarHBondContact CA-OH 3.39Å; E104-Y118 PolarHBondContact O-OH 3.08Å; E104-L120 HydrophobicContact CB-CD1 4.39Å; E104-L120 HydrophobicContact CG-CD1 3.58Å |
| 105 | L | 81.8 | Confident | 80.2 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | -179.5 | -173.4 | 67.5 | 0 | 0 | 0 | 112.8 | E101 N109 I831 I835 | E101-L105 VanDerWaalsContact O-CB 3.24Å; E101-L105 WeakPolarHBondContact O-CB 3.48Å; E101-L105 PolarHBondContact O-N 3.35Å; L105-N109 VanDerWaalsContact O-CB 3.22Å; L105-N109 WeakPolarHBondContact O-CB 3.32Å; L105-N109 PolarHBondContact O-N 3.49Å; L105-N109 VanDerWaalsContact O-N 3.13Å; L105-I831 HydrophobicContact CD2-CG2 3.47Å; L105-I831 VanDerWaalsContact CD2-CG2 3.47Å; L105-I835 HydrophobicContact CD1-CD1 3.77Å; L105-I835 HydrophobicContact CD2-CD1 3.76Å; L105-I835 HydrophobicContact CG-CD1 4Å |
| 106 | Y | 84.9 | Confident | 79.9 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 9% | 0.086 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.2 | -175.6 | -83.6 | 0 | 0 | 0 | 111.4 | M102 I103 E104 N109 M110 I148 R151 L153 V158 | M102-Y106 VanDerWaalsContact O-CB 3.27Å; M102-Y106 WeakPolarHBondContact O-CB 3.48Å; M102-Y106 PolarHBondContact O-N 3.44Å; I103-Y106 PolarHBondContact O-N 3.05Å; E104-Y106 VanDerWaalsContact C-N 3.31Å; E104-Y106 PolarHBondContact O-N 3.09Å; Y106-N109 PolarHBondContact O-N 2.79Å; Y106-M110 HydrophobicContact CD1-CG 3.95Å; Y106-M110 HydrophobicContact CD2-CG 4.46Å; Y106-M110 HydrophobicContact CE1-CB 4.39Å; Y106-M110 HydrophobicContact CE1-CG 3.63Å; Y106-M110 HydrophobicContact CE2-CG 4.2Å; Y106-M110 HydrophobicContact CG-CG 4.34Å; Y106-M110 WeakPolarHBondContact O-CB 3.44Å; Y106-M110 VanDerWaalsContact O-CG 3.3Å; Y106-M110 WeakPolarHBondContact O-CG 3.3Å; Y106-M110 PolarHBondContact O-N 2.9Å; Y106-I148 HydrophobicContact CE1-CG1 4.18Å; Y106-I148 HydrophobicContact CE1-CG2 4.2Å; Y106-I148 PolarHBondContact OH-O 2.86Å; Y106-R151 HydrophobicContact CE2-CB 4.25Å; Y106-R151 PolarHBondContact OH-O 2.68Å; Y106-L153 HydrophobicContact CD1-CD2 4.45Å; Y106-L153 HydrophobicContact CD2-CB 3.94Å; Y106-L153 HydrophobicContact CD2-CD1 3.86Å; Y106-L153 HydrophobicContact CD2-CG 4.33Å; Y106-L153 HydrophobicContact CE2-CB 3.88Å; Y106-L153 HydrophobicContact CG-CB 4.46Å; Y106-L153 HydrophobicContact CG-CD1 4.04Å; Y106-L153 HydrophobicContact CG-CD2 4.28Å; Y106-L153 HydrophobicContact CG-CG 4.5Å; Y106-V158 HydrophobicContact CE1-CG2 4.26Å; Y106-V158 VanDerWaalsContact OH-CG2 3.28Å; Y106-V158 WeakPolarHBondContact OH-CG2 3.2Å |
| 107 | V | 84.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 177.5 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | I103 E104 N109 M110 M111 Y118 L120 I131 | I103-V107 WeakPolarHBondContact O-CB 3.5Å; I103-V107 VanDerWaalsContact O-CG2 3.28Å; I103-V107 WeakPolarHBondContact O-CG2 3.3Å; I103-V107 PolarHBondContact O-N 2.89Å; E104-V107 PolarHBondContact O-N 3.47Å; E104-V107 VanDerWaalsContact O-N 3.13Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 2.82Å; V107-M110 PolarHBondContact O-N 2.9Å; V107-M111 HydrophobicContact CG1-CE 4.01Å; V107-M111 HydrophobicContact CG1-CG 4.48Å; V107-M111 HydrophobicContact CG1-SD 4.07Å; V107-M111 HydrophobicContact CG2-CE 4.2Å; V107-M111 WeakPolarHBondContact O-CB 3.39Å; V107-M111 WeakPolarHBondContact O-CG 3.19Å; V107-M111 PolarHBondContact O-N 3.36Å; V107-Y118 HydrophobicContact CB-CE2 4.24Å; V107-Y118 HydrophobicContact CG1-CD1 4.49Å; V107-Y118 HydrophobicContact CG1-CD2 3.83Å; V107-Y118 HydrophobicContact CG1-CE1 4.35Å; V107-Y118 HydrophobicContact CG1-CE2 3.64Å; V107-Y118 HydrophobicContact CG1-CG 4.26Å; V107-L120 HydrophobicContact CG2-CD2 4.19Å; V107-I131 HydrophobicContact CG1-CG1 4.41Å; V107-I131 HydrophobicContact CG1-CG2 4.29Å; V107-I131 HydrophobicContact CG2-CD1 4.47Å; V107-I131 HydrophobicContact CG2-CG1 4.02Å |
| 108 | E | 86.1 | Confident | 80.6 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 175 | -73.1 | -152.4 | 144.1 | 0 | 0 | 111.6 | E104 D112 L113 K114 V115 Y118 | E104-E108 PolarHBondContact O-N 2.62Å; E108-D112 WeakPolarHBondContact O-CA 3.09Å; E108-D112 PolarHBondContact O-N 3.37Å; E108-L113 PolarHBondContact O-N 2.88Å; E108-K114 VanDerWaalsContact OE1-C 3.3Å; E108-K114 VanDerWaalsContact OE1-CA 3.28Å; E108-K114 WeakPolarHBondContact OE1-CA 3.35Å; E108-V115 VanDerWaalsContact OE1-CG2 3.24Å; E108-V115 WeakPolarHBondContact OE1-CG2 3.22Å; E108-V115 PolarHBondContact OE1-N 3.08Å; E108-Y118 HydrophobicContact CG-CE1 3.85Å; E108-Y118 WeakPolarHBondContact CG-OH 3.42Å |
| 109 | N | 82.2 | Confident | 80.6 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.1 | -41.2 | -176.2 | -169 | 8.6 | 0 | 0 | 0 | 112.7 | L105 Y106 V107 | L105-N109 VanDerWaalsContact O-CB 3.22Å; L105-N109 WeakPolarHBondContact O-CB 3.32Å; L105-N109 PolarHBondContact O-N 3.49Å; L105-N109 VanDerWaalsContact O-N 3.13Å; Y106-N109 PolarHBondContact O-N 2.79Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 2.82Å |
| 110 | M | 81.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.7 | -38.5 | -176.2 | -69.1 | -56.1 | 99.9 | 0 | 0 | 113.1 | Y106 V107 R147 I148 R151 | Y106-M110 HydrophobicContact CD1-CG 3.95Å; Y106-M110 HydrophobicContact CD2-CG 4.46Å; Y106-M110 HydrophobicContact CE1-CB 4.39Å; Y106-M110 HydrophobicContact CE1-CG 3.63Å; Y106-M110 HydrophobicContact CE2-CG 4.2Å; Y106-M110 HydrophobicContact CG-CG 4.34Å; Y106-M110 WeakPolarHBondContact O-CB 3.44Å; Y106-M110 VanDerWaalsContact O-CG 3.3Å; Y106-M110 WeakPolarHBondContact O-CG 3.3Å; Y106-M110 PolarHBondContact O-N 2.9Å; V107-M110 PolarHBondContact O-N 2.9Å; M110-R147 PolarHBondContact O-NH1 3.44Å; M110-R147 HydrophobicContact SD-CG 4.31Å; M110-I148 HydrophobicContact CB-CD1 3.91Å; M110-I148 HydrophobicContact CB-CG1 3.7Å; M110-I148 HydrophobicContact CG-CG1 3.9Å; M110-R151 HydrophobicContact SD-CB 4.41Å; M110-R151 HydrophobicContact SD-CG 4.31Å |
| 111 | M | 78.3 | Confident | 80.9 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -90.7 | -21.5 | -178.9 | -52.9 | -166.3 | -162.9 | 0 | 0 | 112.8 | L89 V107 L113 I131 L133 K139 L144 I148 L160 | L89-M111 HydrophobicContact CD1-SD 4.28Å; V107-M111 HydrophobicContact CG1-CE 4.01Å; V107-M111 HydrophobicContact CG1-CG 4.48Å; V107-M111 HydrophobicContact CG1-SD 4.07Å; V107-M111 HydrophobicContact CG2-CE 4.2Å; V107-M111 WeakPolarHBondContact O-CB 3.39Å; V107-M111 WeakPolarHBondContact O-CG 3.19Å; V107-M111 PolarHBondContact O-N 3.36Å; M111-L113 HydrophobicContact CB-CD1 3.56Å; M111-L113 HydrophobicContact CB-CG 3.72Å; M111-L113 HydrophobicContact CG-CD1 4.29Å; M111-L113 HydrophobicContact SD-CD1 3.91Å; M111-I131 HydrophobicContact CE-CB 4.45Å; M111-I131 HydrophobicContact CE-CD1 3.88Å; M111-I131 HydrophobicContact CE-CG1 3.95Å; M111-I131 HydrophobicContact CE-CG2 4.38Å; M111-I131 HydrophobicContact SD-CG2 4.39Å; M111-L133 HydrophobicContact SD-CD2 4.49Å; M111-K139 PolarHBondContact O-NZ 2.87Å; M111-L144 HydrophobicContact CG-CD1 4.28Å; M111-L144 HydrophobicContact CG-CD2 4.37Å; M111-I148 HydrophobicContact CE-CD1 4.34Å; M111-L160 HydrophobicContact CE-CD1 3.98Å |
| 112 | D | 77.1 | Confident | 80.9 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 72.2 | -172.7 | 166.2 | 67.3 | 0 | 0 | 0 | 109.9 | E108 K139 | E108-D112 WeakPolarHBondContact O-CA 3.09Å; E108-D112 PolarHBondContact O-N 3.37Å; D112-K139 PolarHBondContact O-NZ 3.01Å; D112-K139 IonicContact OD2-NZ 2.67Å; D112-K139 PolarHBondContact OD2-NZ 2.75Å |
| 113 | L | 79.8 | Confident | 80.8 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | -134.6 | 166.3 | -177.8 | -62.8 | 173.6 | 0 | 0 | 0 | 109.2 | E108 M111 D117 Y118 L133 | E108-L113 PolarHBondContact O-N 2.88Å; M111-L113 HydrophobicContact CB-CD1 3.56Å; M111-L113 HydrophobicContact CB-CG 3.72Å; M111-L113 HydrophobicContact CG-CD1 4.29Å; M111-L113 HydrophobicContact SD-CD1 3.91Å; L113-D117 HydrophobicContact CB-CB 4.47Å; L113-D117 HydrophobicContact CD2-CB 4.38Å; L113-Y118 HydrophobicContact CB-CD1 3.99Å; L113-Y118 HydrophobicContact CB-CE1 4.37Å; L113-Y118 HydrophobicContact CD1-CD1 4.18Å; L113-Y118 HydrophobicContact CD1-CG 4.41Å; L113-L133 HydrophobicContact CD1-CD2 3.45Å; L113-L133 VanDerWaalsContact CD1-CD2 3.45Å | ||
| 114 | K | 75.1 | Confident | 80.1 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | trans | -112 | 160.5 | 168.9 | -52.1 | 163.2 | -169.5 | 159.8 | 0 | 110.5 | E108 T116 D117 Y118 | E108-K114 VanDerWaalsContact OE1-C 3.3Å; E108-K114 VanDerWaalsContact OE1-CA 3.28Å; E108-K114 WeakPolarHBondContact OE1-CA 3.35Å; K114-T116 PolarHBondContact O-N 2.79Å; K114-D117 WeakPolarHBondContact CB-OD2 3.25Å; K114-D117 WeakPolarHBondContact CG-OD2 3.47Å; K114-D117 PolarHBondContact N-OD2 2.68Å; K114-D117 WeakPolarHBondContact O-CA 3.45Å; K114-D117 WeakPolarHBondContact O-CB 3.12Å; K114-D117 PolarHBondContact O-N 2.85Å; K114-Y118 WeakPolarHBondContact O-CD1 3.17Å; K114-Y118 WeakPolarHBondContact O-CE1 3.26Å | ||
| 115 | V | 71.6 | Confident | 79.3 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | -30.8 | 171.5 | -167.5 | 0 | 0 | 0 | 0 | 114.8 | E108 D117 | E108-V115 VanDerWaalsContact OE1-CG2 3.24Å; E108-V115 WeakPolarHBondContact OE1-CG2 3.22Å; E108-V115 PolarHBondContact OE1-N 3.08Å; V115-D117 VanDerWaalsContact C-N 3.32Å |
| 116 | T | 71.8 | Confident | 78.7 | Confident | 106 Ų | 106 | 62.5 Ų | 62.5 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15.8 | 177 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | K114 S134 | K114-T116 PolarHBondContact O-N 2.79Å; T116-S134 PolarHBondContact O-OG 2.67Å; T116-S134 VanDerWaalsContact O-OG 3.09Å |
| 117 | D | 79.1 | Confident | 78.2 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -103 | -3.9 | -164.7 | -47.9 | -19.7 | 0 | 0 | 0 | 111.7 | L113 K114 V115 S134 | L113-D117 HydrophobicContact CB-CB 4.47Å; L113-D117 HydrophobicContact CD2-CB 4.38Å; K114-D117 WeakPolarHBondContact CB-OD2 3.25Å; K114-D117 WeakPolarHBondContact CG-OD2 3.47Å; K114-D117 PolarHBondContact N-OD2 2.68Å; K114-D117 WeakPolarHBondContact O-CA 3.45Å; K114-D117 WeakPolarHBondContact O-CB 3.12Å; K114-D117 PolarHBondContact O-N 2.85Å; V115-D117 VanDerWaalsContact C-N 3.32Å; D117-S134 VanDerWaalsContact C-OG 3.3Å; D117-S134 PolarHBondContact O-N 2.72Å; D117-S134 PolarHBondContact O-OG 2.71Å |
| 118 | Y | 84.3 | Confident | 78.2 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 167.1 | 176.1 | 71.7 | -78.2 | 0 | 0 | 0 | 112.3 | E104 V107 E108 L113 K114 L120 I131 H132 | E104-Y118 WeakPolarHBondContact CA-OH 3.39Å; E104-Y118 PolarHBondContact O-OH 3.08Å; V107-Y118 HydrophobicContact CB-CE2 4.24Å; V107-Y118 HydrophobicContact CG1-CD1 4.49Å; V107-Y118 HydrophobicContact CG1-CD2 3.83Å; V107-Y118 HydrophobicContact CG1-CE1 4.35Å; V107-Y118 HydrophobicContact CG1-CE2 3.64Å; V107-Y118 HydrophobicContact CG1-CG 4.26Å; E108-Y118 HydrophobicContact CG-CE1 3.85Å; E108-Y118 WeakPolarHBondContact CG-OH 3.42Å; L113-Y118 HydrophobicContact CB-CD1 3.99Å; L113-Y118 HydrophobicContact CB-CE1 4.37Å; L113-Y118 HydrophobicContact CD1-CD1 4.18Å; L113-Y118 HydrophobicContact CD1-CG 4.41Å; K114-Y118 WeakPolarHBondContact O-CD1 3.17Å; K114-Y118 WeakPolarHBondContact O-CE1 3.26Å; Y118-L120 HydrophobicContact CD2-CD2 3.72Å; Y118-L120 HydrophobicContact CD2-CG 4.03Å; Y118-L120 HydrophobicContact CE2-CD1 4.22Å; Y118-L120 HydrophobicContact CE2-CD2 3.72Å; Y118-L120 HydrophobicContact CE2-CG 3.73Å; Y118-I131 HydrophobicContact CD2-CG2 4.21Å; Y118-I131 HydrophobicContact CG-CG2 4.48Å; Y118-H132 CarbonylContact C-O 3.58Å; Y118-H132 VanDerWaalsContact CA-O 3.23Å; Y118-H132 WeakPolarHBondContact CA-O 3.4Å |
| 119 | T | 82.6 | Confident | 78.1 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.8 | 171.7 | 45.5 | 0 | 0 | 0 | 0 | 108.7 | H132 | T119-H132 PolarHBondContact N-O 2.99Å; T119-H132 PolarHBondContact O-N 2.65Å; T119-H132 WeakPolarHBondContact OG1-CB 3.4Å; T119-H132 PolarHBondContact OG1-ND1 3.25Å; T119-H132 VanDerWaalsContact OG1-ND1 3.12Å; T119-H132 PolarHBondContact OG1-O 2.79Å |
| 120 | L | 85.4 | Confident | 78.2 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.7 | 176.1 | -59.6 | -175.2 | 0 | 0 | 0 | 110.6 | I103 E104 V107 Y118 V129 I131 | I103-L120 HydrophobicContact CB-CD1 4.32Å; I103-L120 HydrophobicContact CG2-CD1 3.87Å; E104-L120 HydrophobicContact CB-CD1 4.39Å; E104-L120 HydrophobicContact CG-CD1 3.58Å; V107-L120 HydrophobicContact CG2-CD2 4.19Å; Y118-L120 HydrophobicContact CD2-CD2 3.72Å; Y118-L120 HydrophobicContact CD2-CG 4.03Å; Y118-L120 HydrophobicContact CE2-CD1 4.22Å; Y118-L120 HydrophobicContact CE2-CD2 3.72Å; Y118-L120 HydrophobicContact CE2-CG 3.73Å; L120-V129 HydrophobicContact CB-CG1 4.04Å; L120-V129 HydrophobicContact CD2-CG1 4.14Å; L120-V129 HydrophobicContact CG-CG1 4.5Å; L120-I131 HydrophobicContact CD2-CB 4.25Å; L120-I131 HydrophobicContact CD2-CG1 3.61Å; L120-I131 HydrophobicContact CD2-CG2 4.28Å |
| 121 | I | 80.9 | Confident | 78.4 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 35% | 0.349 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 98.3 | 173.5 | -56.1 | 174.1 | 0 | 0 | 0 | 106.7 | L130 L242 | I121-L130 HydrophobicContact CB-CB 4.3Å; I121-L130 PolarHBondContact N-O 3.04Å; I121-L130 PolarHBondContact O-N 2.67Å; I121-L242 HydrophobicContact CG2-CD1 4.31Å; I121-L242 HydrophobicContact CG2-CD2 4.5Å |
| 122 | P | 79.8 | Confident | 78.7 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 148.3 | 176.1 | 30.1 | -34.1 | 0 | 0 | 0 | 110.7 | V129 | P122-V129 HydrophobicContact CB-CG2 4.38Å |
| 123 | S | 79.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -70.1 | 155.6 | 172.4 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | E125 K126 G127 F128 | S123-E125 PolarHBondContact O-N 3.04Å; S123-K126 PolarHBondContact O-N 2.69Å; S123-K126 VanDerWaalsContact OG-CA 3.32Å; S123-K126 WeakPolarHBondContact OG-CA 3.33Å; S123-K126 PolarHBondContact OG-N 2.69Å; S123-G127 PolarHBondContact OG-N 2.97Å; S123-F128 VanDerWaalsContact CB-O 3.24Å; S123-F128 WeakPolarHBondContact CB-O 3.42Å; S123-F128 PolarHBondContact N-O 2.64Å; S123-F128 PolarHBondContact OG-N 2.67Å; S123-F128 PolarHBondContact OG-O 2.83Å | ||
| 124 | P | 69.3 | Low | 78.6 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -37.4 | 174.1 | -26.3 | 35.1 | 0 | 0 | 0 | 113.3 | P244 | P124-P244 HydrophobicContact CG-CB 4.44Š|
| 125 | E | 68.2 | Low | 78.5 | Confident | 148 Ų | 148 | 58.1 Ų | 58.1 | 69% | 0.692 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 0.2 | 178.4 | -57.9 | -176.1 | 159.9 | 0 | 0 | 113.7 | S123 G127 | S123-E125 PolarHBondContact O-N 3.04Å; E125-G127 PolarHBondContact O-N 3.21Å |
| 126 | K | 70.2 | Confident | 78.7 | Confident | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 57.9 | -8.5 | -175.8 | -60.2 | -177.8 | 176.7 | -175.3 | 0 | 118 | P96 S123 F128 | P96-K126 HydrophobicContact CB-CB 4.14Å; P96-K126 HydrophobicContact CB-CD 4.34Å; P96-K126 WeakPolarHBondContact O-CD 3.39Å; P96-K126 PolarHBondContact O-NZ 3.06Å; P96-K126 VanDerWaalsContact O-NZ 3.13Å; S123-K126 PolarHBondContact O-N 2.69Å; S123-K126 VanDerWaalsContact OG-CA 3.32Å; S123-K126 WeakPolarHBondContact OG-CA 3.33Å; S123-K126 PolarHBondContact OG-N 2.69Å; K126-F128 PolarHBondContact O-N 3.01Å; K126-F128 VanDerWaalsContact O-N 3.08Å |
| 127 | G | 73.6 | Confident | 78.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -62.3 | -16.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G93 V94 S123 E125 | G93-G127 PolarHBondContact N-O 3.48Å; G93-G127 VanDerWaalsContact N-O 3.14Å; V94-G127 PolarHBondContact N-O 2.78Å; V94-G127 WeakPolarHBondContact O-CA 3.2Å; S123-G127 PolarHBondContact OG-N 2.97Å; E125-G127 PolarHBondContact O-N 3.21Å |
| 128 | F | 84.5 | Confident | 78.1 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.9 | 173.3 | 52 | -89.2 | 0 | 0 | 0 | 113.2 | L90 L91 R92 S123 K126 F241 L242 | L90-F128 HydrophobicContact CD1-CB 4.23Å; L90-F128 HydrophobicContact CD1-CD2 3.87Å; L90-F128 HydrophobicContact CD1-CG 4.41Å; L91-F128 CarbonylContact O-C 3.55Å; L91-F128 WeakPolarHBondContact O-CA 3.33Å; L91-F128 WeakPolarHBondContact O-CB 3.45Å; R92-F128 HydrophobicContact CB-CB 4.47Å; R92-F128 HydrophobicContact CG-CB 4.16Å; S123-F128 VanDerWaalsContact CB-O 3.24Å; S123-F128 WeakPolarHBondContact CB-O 3.42Å; S123-F128 PolarHBondContact N-O 2.64Å; S123-F128 PolarHBondContact OG-N 2.67Å; S123-F128 PolarHBondContact OG-O 2.83Å; K126-F128 PolarHBondContact O-N 3.01Å; K126-F128 VanDerWaalsContact O-N 3.08Å; F128-F241 HydrophobicContact CD2-CD2 4.45Å; F128-F241 AromaticContact CE2-CD2 3.79Å; F128-F241 HydrophobicContact CE2-CD2 3.79Å; F128-F241 VanDerWaalsContact CE2-O 3.27Å; F128-F241 WeakPolarHBondContact CE2-O 3.37Å; F128-F241 VanDerWaalsContact CZ-O 3.26Å; F128-F241 WeakPolarHBondContact CZ-O 3.42Å; F128-L242 HydrophobicContact CE2-CD2 4.41Å |
| 129 | V | 85.8 | Confident | 77.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.7 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | L91 V94 I103 L120 P122 | L91-V129 PolarHBondContact N-O 2.78Å; L91-V129 PolarHBondContact O-N 3.46Å; V94-V129 HydrophobicContact CG2-CG2 4.21Å; I103-V129 HydrophobicContact CD1-CG2 4.22Å; I103-V129 HydrophobicContact CG2-CG1 4.45Å; I103-V129 HydrophobicContact CG2-CG2 4.32Å; L120-V129 HydrophobicContact CB-CG1 4.04Å; L120-V129 HydrophobicContact CD2-CG1 4.14Å; L120-V129 HydrophobicContact CG-CG1 4.5Å; P122-V129 HydrophobicContact CB-CG2 4.38Å |
| 130 | L | 84.1 | Confident | 76.9 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.5 | 170.1 | -177.6 | 68.6 | 0 | 0 | 0 | 109.7 | R88 I121 I163 F239 L242 | R88-L130 HydrophobicContact CB-CD1 4.22Å; I121-L130 HydrophobicContact CB-CB 4.3Å; I121-L130 PolarHBondContact N-O 3.04Å; I121-L130 PolarHBondContact O-N 2.67Å; L130-I163 HydrophobicContact CD1-CD1 3.78Å; L130-F239 HydrophobicContact CD2-CD2 4.29Å; L130-F239 HydrophobicContact CD2-CE2 4.17Å; L130-L242 HydrophobicContact CB-CD2 4.42Å; L130-L242 HydrophobicContact CD2-CD1 3.84Å |
| 131 | I | 86.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.5 | 168.4 | -55.8 | 95.8 | 0 | 0 | 0 | 108.2 | R88 L89 L91 V107 M111 Y118 L120 L133 | R88-I131 WeakPolarHBondContact CA-O 3.19Å; L89-I131 PolarHBondContact N-O 2.83Å; L89-I131 WeakPolarHBondContact O-CD1 3.28Å; L89-I131 PolarHBondContact O-N 2.87Å; L91-I131 HydrophobicContact CB-CD1 3.66Å; V107-I131 HydrophobicContact CG1-CG1 4.41Å; V107-I131 HydrophobicContact CG1-CG2 4.29Å; V107-I131 HydrophobicContact CG2-CD1 4.47Å; V107-I131 HydrophobicContact CG2-CG1 4.02Å; M111-I131 HydrophobicContact CE-CB 4.45Å; M111-I131 HydrophobicContact CE-CD1 3.88Å; M111-I131 HydrophobicContact CE-CG1 3.95Å; M111-I131 HydrophobicContact CE-CG2 4.38Å; M111-I131 HydrophobicContact SD-CG2 4.39Å; Y118-I131 HydrophobicContact CD2-CG2 4.21Å; Y118-I131 HydrophobicContact CG-CG2 4.48Å; L120-I131 HydrophobicContact CD2-CB 4.25Å; L120-I131 HydrophobicContact CD2-CG1 3.61Å; L120-I131 HydrophobicContact CD2-CG2 4.28Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.44Å |
| 132 | H | 82.8 | Confident | 76.5 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.9 | 173.4 | 168.1 | -123.2 | 0 | 0 | 0 | 109.8 | C87 R88 Y118 T119 | C87-H132 CarbonylContact O-C 3.48Å; C87-H132 WeakPolarHBondContact O-CA 3.14Å; R88-H132 HydrophobicContact CG-CB 4.48Å; Y118-H132 CarbonylContact C-O 3.58Å; Y118-H132 VanDerWaalsContact CA-O 3.23Å; Y118-H132 WeakPolarHBondContact CA-O 3.4Å; T119-H132 PolarHBondContact N-O 2.99Å; T119-H132 PolarHBondContact O-N 2.65Å; T119-H132 WeakPolarHBondContact OG1-CB 3.4Å; T119-H132 PolarHBondContact OG1-ND1 3.25Å; T119-H132 VanDerWaalsContact OG1-ND1 3.12Å; T119-H132 PolarHBondContact OG1-O 2.79Å |
| 133 | L | 80.5 | Confident | 76.5 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136 | -175.1 | -53.6 | 174.9 | 0 | 0 | 0 | 111.4 | C87 L89 M111 L113 I131 Q135 L137 | C87-L133 WeakPolarHBondContact O-CB 3.47Å; C87-L133 WeakPolarHBondContact O-CG 3.36Å; C87-L133 PolarHBondContact O-N 2.87Å; L89-L133 HydrophobicContact CD1-CD1 4.09Å; L89-L133 HydrophobicContact CG-CD1 4.48Å; M111-L133 HydrophobicContact SD-CD2 4.49Å; L113-L133 HydrophobicContact CD1-CD2 3.45Å; L113-L133 VanDerWaalsContact CD1-CD2 3.45Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.44Å; L133-Q135 VanDerWaalsContact CB-O 3.26Å; L133-Q135 WeakPolarHBondContact CB-O 3.49Å; L133-Q135 PolarHBondContact O-N 2.7Å; L133-L137 HydrophobicContact CD1-CB 4.21Å; L133-L137 HydrophobicContact CD1-CD1 4.22Å |
| 134 | S | 75.8 | Confident | 76.6 | Confident | 75 Ų | 75 | 62 Ų | 62 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -66.9 | -13 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 113.4 | T116 D117 | T116-S134 PolarHBondContact O-OG 2.67Å; T116-S134 VanDerWaalsContact O-OG 3.09Å; D117-S134 VanDerWaalsContact C-OG 3.3Å; D117-S134 PolarHBondContact O-N 2.72Å; D117-S134 PolarHBondContact O-OG 2.71Å |
| 135 | Q | 73 | Confident | 77.3 | Confident | 158 Ų | 158 | 63.1 Ų | 63.1 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -143.5 | 150.2 | 174.5 | -66.5 | -170.5 | 9.4 | 0 | 0 | 110.7 | L133 | L133-Q135 VanDerWaalsContact CB-O 3.26Å; L133-Q135 WeakPolarHBondContact CB-O 3.49Å; L133-Q135 PolarHBondContact O-N 2.7Å |
| 136 | P | 74.4 | Confident | 77.9 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | trans | -66 | 139.6 | -179.6 | 26.7 | -35 | 0 | 0 | 0 | 112 | R86 C87 S138 | R86-P136 HydrophobicContact CB-CB 3.77Å; R86-P136 CarbonylContact O-C 3.59Å; R86-P136 WeakPolarHBondContact O-CA 3.37Å; C87-P136 VanDerWaalsContact SG-CA 3.59Å; P136-S138 PolarHBondContact O-N 3.03Å; P136-S138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | L | 74.4 | Confident | 78.4 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | trans | -55 | 116.2 | -175.4 | -171.1 | 71.7 | 0 | 0 | 0 | 111.6 | R86 L89 L133 K139 F141 L144 | R86-L137 PolarHBondContact NH2-O 2.96Å; R86-L137 WeakPolarHBondContact O-CB 3.23Å; R86-L137 PolarHBondContact O-N 2.72Å; L89-L137 HydrophobicContact CD1-CD2 4.32Å; L133-L137 HydrophobicContact CD1-CB 4.21Å; L133-L137 HydrophobicContact CD1-CD1 4.22Å; L137-K139 HydrophobicContact CD1-CB 4.45Å; L137-K139 WeakPolarHBondContact CG-O 3.47Å; L137-F141 HydrophobicContact CD2-CB 4.19Å; L137-F141 HydrophobicContact CD2-CD2 4.33Å; L137-L144 HydrophobicContact CD1-CD2 4.09Å; L137-L144 HydrophobicContact CD2-CD2 4.07Å | ||
| 138 | S | 65.2 | Low | 78.9 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 76% | 0.762 | 30% | 0.3 | S | S | * | . | trans | -92.6 | -20.6 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | P136 | P136-S138 PolarHBondContact O-N 3.03Å; P136-S138 VanDerWaalsContact O-N 3.11Å | ||
| 139 | K | 64.9 | Low | 78.8 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -85 | 151.3 | 176.7 | -65.7 | 162.3 | 177 | 166.5 | 0 | 109.5 | M111 D112 L137 F141 | M111-K139 PolarHBondContact O-NZ 2.87Å; D112-K139 PolarHBondContact O-NZ 3.01Å; D112-K139 IonicContact OD2-NZ 2.67Å; D112-K139 PolarHBondContact OD2-NZ 2.75Å; L137-K139 HydrophobicContact CD1-CB 4.45Å; L137-K139 WeakPolarHBondContact CG-O 3.47Å; K139-F141 PolarHBondContact O-N 3.18Å |
| 140 | D | 76.4 | Confident | 78.7 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 35% | 0.35 | S | S | . | . | trans | -63.9 | 126.1 | 176.4 | 164.3 | 41.6 | 0 | 0 | 0 | 111.5 | Q142 T143 L144 | D140-Q142 PolarHBondContact O-N 3.19Å; D140-Q142 PolarHBondContact OD1-N 3.35Å; D140-T143 WeakPolarHBondContact OD2-CB 3.46Å; D140-T143 PolarHBondContact OD2-N 2.98Å; D140-T143 PolarHBondContact OD2-OG1 2.84Å; D140-L144 WeakPolarHBondContact O-CB 3.4Å; D140-L144 PolarHBondContact O-N 2.66Å | ||
| 141 | F | 80.7 | Confident | 78.5 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 178.9 | 177.1 | -99.3 | 0 | 0 | 0 | 112.9 | L89 L137 K139 L144 R145 L160 Q162 | L89-F141 HydrophobicContact CD2-CD2 4.12Å; L89-F141 HydrophobicContact CD2-CE2 4.05Å; L137-F141 HydrophobicContact CD2-CB 4.19Å; L137-F141 HydrophobicContact CD2-CD2 4.33Å; K139-F141 PolarHBondContact O-N 3.18Å; F141-L144 WeakPolarHBondContact O-CB 3.5Å; F141-L144 PolarHBondContact O-N 3.26Å; F141-R145 HydrophobicContact CE1-CB 4.38Å; F141-R145 HydrophobicContact CZ-CB 4.43Å; F141-R145 WeakPolarHBondContact O-CB 3.48Å; F141-R145 PolarHBondContact O-N 3.24Å; F141-L160 HydrophobicContact CD2-CD2 4.25Å; F141-L160 HydrophobicContact CE2-CD2 3.76Å; F141-L160 HydrophobicContact CE2-CG 3.87Å; F141-L160 HydrophobicContact CZ-CD2 4.35Å; F141-L160 HydrophobicContact CZ-CG 4.38Å; F141-Q162 HydrophobicContact CD2-CB 4.17Å; F141-Q162 HydrophobicContact CE1-CB 4.18Å; F141-Q162 HydrophobicContact CE2-CB 3.75Å; F141-Q162 HydrophobicContact CZ-CB 3.77Å |
| 142 | Q | 77.5 | Confident | 78.4 | Confident | 111 Ų | 111 | 79.8 Ų | 79.8 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.6 | -41 | -178.5 | -60.9 | -64.1 | -3.8 | 0 | 0 | 111.4 | D140 L144 R145 T146 | D140-Q142 PolarHBondContact O-N 3.19Å; D140-Q142 PolarHBondContact OD1-N 3.35Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.31Å; Q142-R145 PolarHBondContact O-N 2.82Å; Q142-T146 VanDerWaalsContact O-CB 3.31Å; Q142-T146 WeakPolarHBondContact O-CB 3.45Å; Q142-T146 PolarHBondContact O-N 3.14Å; Q142-T146 PolarHBondContact O-OG1 2.93Å |
| 143 | T | 78.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 170 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | D140 R147 | D140-T143 WeakPolarHBondContact OD2-CB 3.46Å; D140-T143 PolarHBondContact OD2-N 2.98Å; D140-T143 PolarHBondContact OD2-OG1 2.84Å; T143-R147 WeakPolarHBondContact O-CB 3.2Å; T143-R147 PolarHBondContact O-N 2.95Å |
| 144 | L | 82.9 | Confident | 78.1 | Confident | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69.9 | -46.8 | 177.4 | -168.3 | 66.6 | 0 | 0 | 0 | 111.6 | L89 M111 L137 D140 F141 Q142 T146 R147 I148 L160 | L89-L144 HydrophobicContact CD1-CD2 4.27Å; M111-L144 HydrophobicContact CG-CD1 4.28Å; M111-L144 HydrophobicContact CG-CD2 4.37Å; L137-L144 HydrophobicContact CD1-CD2 4.09Å; L137-L144 HydrophobicContact CD2-CD2 4.07Å; D140-L144 WeakPolarHBondContact O-CB 3.4Å; D140-L144 PolarHBondContact O-N 2.66Å; F141-L144 WeakPolarHBondContact O-CB 3.5Å; F141-L144 PolarHBondContact O-N 3.26Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.31Å; L144-T146 PolarHBondContact O-N 3.21Å; L144-R147 WeakPolarHBondContact O-CB 3.46Å; L144-R147 PolarHBondContact O-N 2.87Å; L144-R147 VanDerWaalsContact O-N 3.09Å; L144-I148 PolarHBondContact O-N 2.85Å; L144-I148 VanDerWaalsContact O-N 3.09Å; L144-L160 HydrophobicContact CB-CD2 4.01Å; L144-L160 HydrophobicContact CD2-CD2 3.94Å; L144-L160 HydrophobicContact CG-CD2 3.7Å |
| 145 | R | 82.6 | Confident | 78.1 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 177.9 | -169.5 | 174.3 | -167.3 | -137.8 | -0.1 | 111.8 | F141 Q142 R147 I148 S149 L160 | F141-R145 HydrophobicContact CE1-CB 4.38Å; F141-R145 HydrophobicContact CZ-CB 4.43Å; F141-R145 WeakPolarHBondContact O-CB 3.48Å; F141-R145 PolarHBondContact O-N 3.24Å; Q142-R145 PolarHBondContact O-N 2.82Å; R145-R147 PolarHBondContact O-N 3.19Å; R145-I148 PolarHBondContact O-N 3.03Å; R145-S149 WeakPolarHBondContact O-CB 3.26Å; R145-S149 PolarHBondContact O-N 3.08Å; R145-S149 PolarHBondContact O-OG 2.99Å; R145-L160 VanDerWaalsContact CA-CD2 3.43Å; R145-L160 HydrophobicContact CB-CD2 3.93Å; R145-L160 WeakPolarHBondContact CD-O 3.34Å; R145-L160 WeakPolarHBondContact CG-O 3.46Å; R145-L160 PolarHBondContact NE-O 2.88Å; R145-L160 VanDerWaalsContact NE-O 3.13Å |
| 146 | T | 80.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 74.2 Ų | 74.2 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -19.3 | 177.6 | -52.6 | 0 | 0 | 0 | 0 | 113.3 | Q142 L144 K150 | Q142-T146 VanDerWaalsContact O-CB 3.31Å; Q142-T146 WeakPolarHBondContact O-CB 3.45Å; Q142-T146 PolarHBondContact O-N 3.14Å; Q142-T146 PolarHBondContact O-OG1 2.93Å; L144-T146 PolarHBondContact O-N 3.21Å; T146-K150 WeakPolarHBondContact O-CD 3.3Å; T146-K150 VanDerWaalsContact O-CG 3.26Å; T146-K150 WeakPolarHBondContact O-CG 3.24Å |
| 147 | R | 81.7 | Confident | 78.9 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -85 | -43.6 | 176 | -172.3 | -171.4 | -56.8 | 172.5 | -2 | 111.6 | M110 T143 L144 R145 K150 | M110-R147 PolarHBondContact O-NH1 3.44Å; M110-R147 HydrophobicContact SD-CG 4.31Å; T143-R147 WeakPolarHBondContact O-CB 3.2Å; T143-R147 PolarHBondContact O-N 2.95Å; L144-R147 WeakPolarHBondContact O-CB 3.46Å; L144-R147 PolarHBondContact O-N 2.87Å; L144-R147 VanDerWaalsContact O-N 3.09Å; R145-R147 PolarHBondContact O-N 3.19Å; R147-K150 PolarHBondContact O-N 3.12Å |
| 148 | I | 84.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 178.2 | -76.5 | 175.2 | 0 | 0 | 0 | 110.5 | L91 Y106 M110 M111 L144 R145 K150 R151 V158 L160 | L91-I148 HydrophobicContact CD1-CG2 4.03Å; Y106-I148 HydrophobicContact CE1-CG1 4.18Å; Y106-I148 HydrophobicContact CE1-CG2 4.2Å; Y106-I148 PolarHBondContact OH-O 2.86Å; M110-I148 HydrophobicContact CB-CD1 3.91Å; M110-I148 HydrophobicContact CB-CG1 3.7Å; M110-I148 HydrophobicContact CG-CG1 3.9Å; M111-I148 HydrophobicContact CE-CD1 4.34Å; L144-I148 PolarHBondContact O-N 2.85Å; L144-I148 VanDerWaalsContact O-N 3.09Å; R145-I148 PolarHBondContact O-N 3.03Å; I148-K150 PolarHBondContact O-N 3.14Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-O 3.14Å; I148-V158 HydrophobicContact CG2-CB 4.46Å; I148-V158 HydrophobicContact CG2-CG2 4.12Å; I148-V158 WeakPolarHBondContact CG2-O 3.3Å; I148-L160 HydrophobicContact CB-CB 4.36Å; I148-L160 HydrophobicContact CD1-CB 4.26Å; I148-L160 HydrophobicContact CD1-CD1 3.79Å; I148-L160 HydrophobicContact CD1-CD2 4.07Å; I148-L160 HydrophobicContact CD1-CG 4.23Å; I148-L160 HydrophobicContact CG2-CB 4.04Å |
| 149 | S | 82.6 | Confident | 80.6 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -9.9 | 176 | 77.7 | 0 | 0 | 0 | 0 | 114.8 | R145 | R145-S149 WeakPolarHBondContact O-CB 3.26Å; R145-S149 PolarHBondContact O-N 3.08Å; R145-S149 PolarHBondContact O-OG 2.99Å |
| 150 | K | 82.1 | Confident | 81.6 | Confident | 165 Ų | 165 | 69.3 Ų | 69.3 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -2.8 | 175 | -74.4 | -179.3 | -177.5 | -175.4 | 0 | 113.6 | T146 R147 I148 | T146-K150 WeakPolarHBondContact O-CD 3.3Å; T146-K150 VanDerWaalsContact O-CG 3.26Å; T146-K150 WeakPolarHBondContact O-CG 3.24Å; R147-K150 PolarHBondContact O-N 3.12Å; I148-K150 PolarHBondContact O-N 3.14Å |
| 151 | R | 80.3 | Confident | 82 | Confident | 144 Ų | 144 | 68.2 Ų | 68.2 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -129.7 | 112.9 | -179.6 | -70.6 | -152.9 | -176.6 | -148.5 | -0.1 | 111.3 | Y106 M110 I148 | Y106-R151 HydrophobicContact CE2-CB 4.25Å; Y106-R151 PolarHBondContact OH-O 2.68Å; M110-R151 HydrophobicContact SD-CB 4.41Å; M110-R151 HydrophobicContact SD-CG 4.31Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-O 3.14Å |
| 152 | K | 83.8 | Confident | 82.1 | Confident | 124 Ų | 124 | 69 Ų | 69 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | trans | -63 | 143.8 | 172.5 | -54.7 | -155.6 | 176.9 | -155.6 | 0 | 111 | G155 S156 E157 | K152-G155 WeakPolarHBondContact CD-O 3.49Å; K152-S156 CarbonylContact C-O 3.54Å; K152-S156 WeakPolarHBondContact CA-O 3.06Å; K152-S156 VanDerWaalsContact CB-O 3.28Å; K152-S156 WeakPolarHBondContact CB-O 3.48Å; K152-E157 HydrophobicContact CD-CG 3.96Å; K152-E157 WeakPolarHBondContact CE-OE1 3.39Å; K152-E157 HydrophobicContact CG-CG 4.18Å; K152-E157 IonicContact NZ-OE1 3.98Å; K152-E157 PolarHBondContact NZ-OE1 2.84Å | ||
| 153 | L | 82.3 | Confident | 82.3 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -110.5 | 118.7 | 170.6 | 170.4 | 57.4 | 0 | 0 | 0 | 106.9 | L91 V94 T98 I103 Y106 G155 S156 V158 | L91-L153 HydrophobicContact CD2-CD2 4.48Å; V94-L153 HydrophobicContact CG1-CD2 4.46Å; V94-L153 HydrophobicContact CG2-CD2 4.39Å; T98-L153 HydrophobicContact CG2-CD1 4.2Å; T98-L153 HydrophobicContact CG2-CG 4.31Å; I103-L153 HydrophobicContact CG1-CD2 4.34Å; Y106-L153 HydrophobicContact CD1-CD2 4.45Å; Y106-L153 HydrophobicContact CD2-CB 3.94Å; Y106-L153 HydrophobicContact CD2-CD1 3.86Å; Y106-L153 HydrophobicContact CD2-CG 4.33Å; Y106-L153 HydrophobicContact CE2-CB 3.88Å; Y106-L153 HydrophobicContact CG-CB 4.46Å; Y106-L153 HydrophobicContact CG-CD1 4.04Å; Y106-L153 HydrophobicContact CG-CD2 4.28Å; Y106-L153 HydrophobicContact CG-CG 4.5Å; L153-G155 VanDerWaalsContact C-N 3.32Å; L153-G155 PolarHBondContact O-N 3.04Å; L153-S156 PolarHBondContact N-O 3.08Å; L153-S156 WeakPolarHBondContact O-CA 3.5Å; L153-S156 VanDerWaalsContact O-CB 3.26Å; L153-S156 WeakPolarHBondContact O-CB 3.35Å; L153-S156 PolarHBondContact O-N 2.77Å; L153-V158 HydrophobicContact CB-CG1 4.16Å; L153-V158 HydrophobicContact CB-CG2 4.06Å; L153-V158 HydrophobicContact CD2-CG1 4.45Å |
| 154 | D | 76.2 | Confident | 82.2 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.8 | 178.6 | -156.5 | 19.5 | 0 | 0 | 0 | 112.7 | T98 M102 S156 | T98-D154 HydrophobicContact CG2-CB 3.97Å; T98-D154 PolarHBondContact OG1-OD2 2.85Å; M102-D154 HydrophobicContact CE-CB 4.48Å; D154-S156 PolarHBondContact O-N 3.23Å; D154-S156 PolarHBondContact O-OG 3.37Å |
| 155 | G | 74.8 | Confident | 81.9 | Confident | 64 Ų | 64 | 68 Ų | 68 | 66% | 0.66 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | -15.3 | -174 | 0 | 0 | 0 | 0 | 0 | 116.2 | K152 L153 | K152-G155 WeakPolarHBondContact CD-O 3.49Å; L153-G155 VanDerWaalsContact C-N 3.32Å; L153-G155 PolarHBondContact O-N 3.04Å |
| 156 | S | 81.1 | Confident | 81.8 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -90.7 | 151.1 | -171.9 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | G93 K152 L153 D154 | G93-S156 VanDerWaalsContact O-CB 3.3Å; G93-S156 WeakPolarHBondContact O-CB 3.17Å; K152-S156 CarbonylContact C-O 3.54Å; K152-S156 WeakPolarHBondContact CA-O 3.06Å; K152-S156 VanDerWaalsContact CB-O 3.28Å; K152-S156 WeakPolarHBondContact CB-O 3.48Å; L153-S156 PolarHBondContact N-O 3.08Å; L153-S156 WeakPolarHBondContact O-CA 3.5Å; L153-S156 VanDerWaalsContact O-CB 3.26Å; L153-S156 WeakPolarHBondContact O-CB 3.35Å; L153-S156 PolarHBondContact O-N 2.77Å; D154-S156 PolarHBondContact O-N 3.23Å; D154-S156 PolarHBondContact O-OG 3.37Å |
| 157 | E | 83.6 | Confident | 81.8 | Confident | 142 Ų | 142 | 62.6 Ų | 62.6 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | trans | -94.5 | 130.1 | 178.6 | -67.7 | -173.4 | -171.6 | 0 | 0 | 111.5 | G93 K152 | G93-E157 WeakPolarHBondContact CA-O 3.27Å; K152-E157 HydrophobicContact CD-CG 3.96Å; K152-E157 WeakPolarHBondContact CE-OE1 3.39Å; K152-E157 HydrophobicContact CG-CG 4.18Å; K152-E157 IonicContact NZ-OE1 3.98Å; K152-E157 PolarHBondContact NZ-OE1 2.84Å | ||
| 158 | V | 88.4 | Confident | 82 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | trans | -130.3 | 140.2 | -166.9 | -79.9 | 0 | 0 | 0 | 0 | 113.4 | L91 R92 G93 V94 Y106 I148 L153 | L91-V158 HydrophobicContact CD1-CB 3.94Å; L91-V158 HydrophobicContact CD1-CG1 4.41Å; R92-V158 WeakPolarHBondContact O-CA 3.27Å; R92-V158 WeakPolarHBondContact O-CG1 3.39Å; G93-V158 VanDerWaalsContact O-CG1 3.3Å; G93-V158 WeakPolarHBondContact O-CG1 3.38Å; V94-V158 HydrophobicContact CG2-CG1 4.35Å; Y106-V158 HydrophobicContact CE1-CG2 4.26Å; Y106-V158 VanDerWaalsContact OH-CG2 3.28Å; Y106-V158 WeakPolarHBondContact OH-CG2 3.2Å; I148-V158 HydrophobicContact CG2-CB 4.46Å; I148-V158 HydrophobicContact CG2-CG2 4.12Å; I148-V158 WeakPolarHBondContact CG2-O 3.3Å; L153-V158 HydrophobicContact CB-CG1 4.16Å; L153-V158 HydrophobicContact CB-CG2 4.06Å; L153-V158 HydrophobicContact CD2-CG1 4.45Å | ||
| 159 | T | 85.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.6 | 156.3 | 88.1 | 0 | 0 | 0 | 0 | 107 | R92 | R92-T159 PolarHBondContact N-O 2.87Å; R92-T159 PolarHBondContact O-N 2.87Å |
| 160 | L | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | 60.6 | 68.2 | 51.1 | -142.3 | 85.4 | 0 | 0 | 0 | 115 | L89 L90 M111 F141 L144 R145 I148 | L89-L160 HydrophobicContact CB-CD1 4.26Å; L89-L160 HydrophobicContact CD1-CD1 4.28Å; L90-L160 CarbonylContact O-C 3.58Å; L90-L160 WeakPolarHBondContact O-CA 3.38Å; L90-L160 PolarHBondContact O-N 2.87Å; M111-L160 HydrophobicContact CE-CD1 3.98Å; F141-L160 HydrophobicContact CD2-CD2 4.25Å; F141-L160 HydrophobicContact CE2-CD2 3.76Å; F141-L160 HydrophobicContact CE2-CG 3.87Å; F141-L160 HydrophobicContact CZ-CD2 4.35Å; F141-L160 HydrophobicContact CZ-CG 4.38Å; L144-L160 HydrophobicContact CB-CD2 4.01Å; L144-L160 HydrophobicContact CD2-CD2 3.94Å; L144-L160 HydrophobicContact CG-CD2 3.7Å; R145-L160 VanDerWaalsContact CA-CD2 3.43Å; R145-L160 HydrophobicContact CB-CD2 3.93Å; R145-L160 WeakPolarHBondContact CD-O 3.34Å; R145-L160 WeakPolarHBondContact CG-O 3.46Å; R145-L160 PolarHBondContact NE-O 2.88Å; R145-L160 VanDerWaalsContact NE-O 3.13Å; I148-L160 HydrophobicContact CB-CB 4.36Å; I148-L160 HydrophobicContact CD1-CB 4.26Å; I148-L160 HydrophobicContact CD1-CD1 3.79Å; I148-L160 HydrophobicContact CD1-CD2 4.07Å; I148-L160 HydrophobicContact CD1-CG 4.23Å; I148-L160 HydrophobicContact CG2-CB 4.04Å | |
| 161 | E | 84.1 | Confident | 82.5 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 155.8 | 159.8 | -66.5 | 169.4 | -177.4 | 0 | 0 | 109.5 | L90 R92 | L90-E161 HydrophobicContact CB-CB 4.39Å; L90-E161 PolarHBondContact N-O 2.88Å; L90-E161 PolarHBondContact O-N 2.73Å; R92-E161 WeakPolarHBondContact CD-OE1 3.21Å; R92-E161 IonicContact CZ-OE2 2.59Å; R92-E161 VanDerWaalsContact NE-CD 3.27Å; R92-E161 IonicContact NE-OE1 2.67Å; R92-E161 PolarHBondContact NE-OE1 2.89Å; R92-E161 IonicContact NE-OE2 3.84Å; R92-E161 PolarHBondContact NE-OE2 3.45Å; R92-E161 IonicContact NH2-OE2 3.02Å; R92-E161 PolarHBondContact NH2-OE2 2.9Å |
| 162 | Q | 82.6 | Confident | 82.6 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 170.3 | -171 | -174.6 | 8.7 | 0 | 0 | 107.3 | K84 D85 L89 F141 | K84-Q162 VanDerWaalsContact CB-CD 3.49Å; K84-Q162 HydrophobicContact CB-CG 4.03Å; K84-Q162 PolarHBondContact O-NE2 2.8Å; D85-Q162 VanDerWaalsContact O-CG 3.23Å; D85-Q162 WeakPolarHBondContact O-CG 3.47Å; D85-Q162 PolarHBondContact O-NE2 3.23Å; L89-Q162 HydrophobicContact CD2-CB 4.24Å; L89-Q162 HydrophobicContact CD2-CG 3.97Å; F141-Q162 HydrophobicContact CD2-CB 4.17Å; F141-Q162 HydrophobicContact CE1-CB 4.18Å; F141-Q162 HydrophobicContact CE2-CB 3.75Å; F141-Q162 HydrophobicContact CZ-CB 3.77Å |
| 163 | I | 81.5 | Confident | 82.5 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 164.8 | -175 | 69.4 | -180 | 0 | 0 | 0 | 111.6 | K84 D85 R88 L90 L130 F239 F241 | K84-I163 CarbonylContact C-O 3.54Å; K84-I163 WeakPolarHBondContact CA-O 3.46Å; D85-I163 HydrophobicContact CB-CG1 4.03Å; D85-I163 PolarHBondContact N-O 2.79Å; R88-I163 HydrophobicContact CB-CD1 3.67Å; R88-I163 HydrophobicContact CB-CG1 4Å; L90-I163 HydrophobicContact CB-CG2 3.81Å; L90-I163 HydrophobicContact CD2-CG2 4.43Å; L130-I163 HydrophobicContact CD1-CD1 3.78Å; I163-F239 HydrophobicContact CD1-CD1 4.22Å; I163-F239 HydrophobicContact CD1-CE1 3.5Å; I163-F239 HydrophobicContact CD1-CE2 4.03Å; I163-F239 HydrophobicContact CD1-CZ 3.39Å; I163-F239 HydrophobicContact CG1-CE1 4.38Å; I163-F239 HydrophobicContact CG1-CZ 4.47Å; I163-F241 HydrophobicContact CD1-CZ 4.42Å; I163-F241 HydrophobicContact CG2-CZ 4.38Å |
| 164 | E | 77.3 | Confident | 82.5 | Confident | 121 Ų | 121 | 41.8 Ų | 41.8 | 57% | 0.565 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 150.7 | 172.2 | -66.5 | 176.6 | -178 | 0 | 0 | 110.1 | P82 T166 | P82-E164 HydrophobicContact CB-CB 4.23Å; P82-E164 HydrophobicContact CG-CB 4.18Å; E164-T166 PolarHBondContact O-N 3.01Å |
| 165 | Q | 76.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 119.5 | 174.4 | -75.6 | 178.7 | -61 | 0 | 0 | 110.4 | S83 D85 Y215 D219 | S83-Q165 WeakPolarHBondContact O-CG 3.39Å; S83-Q165 PolarHBondContact O-N 2.92Å; S83-Q165 PolarHBondContact OG-OE1 2.79Å; D85-Q165 HydrophobicContact CB-CG 4.03Å; Q165-Y215 HydrophobicContact CB-CD2 3.94Å; Q165-Y215 HydrophobicContact CB-CG 4.36Å; Q165-D219 PolarHBondContact NE2-OD2 2.95Å |
| 166 | T | 80.3 | Confident | 82.1 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 147.7 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | E164 S168 V218 A237 Y238 F239 | E164-T166 PolarHBondContact O-N 3.01Å; T166-S168 WeakPolarHBondContact CG2-O 3.21Å; T166-S168 PolarHBondContact OG1-N 3Å; T166-S168 PolarHBondContact OG1-O 2.97Å; T166-V218 HydrophobicContact CG2-CG1 4.24Å; T166-V218 WeakPolarHBondContact O-CG2 3.31Å; T166-A237 HydrophobicContact CG2-CB 4.04Å; T166-Y238 VanDerWaalsContact CB-O 3.31Å; T166-Y238 WeakPolarHBondContact CB-O 3.33Å; T166-Y238 WeakPolarHBondContact CG2-O 3.48Å; T166-Y238 PolarHBondContact OG1-O 3Å; T166-F239 HydrophobicContact CG2-CE1 3.88Å; T166-F239 HydrophobicContact CG2-CE2 4.24Å; T166-F239 HydrophobicContact CG2-CZ 3.72Å |
| 167 | D | 80.7 | Confident | 81.5 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -95.2 | 4.5 | 167.7 | 57.7 | 21.2 | 0 | 0 | 0 | 112.9 | R79 F212 V218 | R79-D167 IonicContact CZ-OD2 3.27Å; R79-D167 IonicContact NH1-OD2 2.68Å; R79-D167 PolarHBondContact NH1-OD2 2.76Å; R79-D167 IonicContact NH2-OD2 2.68Å; D167-F212 WeakPolarHBondContact O-CD2 3.36Å; D167-F212 PolarHBondContact O-N 2.86Å; D167-V218 VanDerWaalsContact C-CG2 3.47Å |
| 168 | S | 86.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.8 | -172.4 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | T166 K209 V210 T211 Y238 | T166-S168 WeakPolarHBondContact CG2-O 3.21Å; T166-S168 PolarHBondContact OG1-N 3Å; T166-S168 PolarHBondContact OG1-O 2.97Å; S168-K209 WeakPolarHBondContact OG-CE 3.46Å; S168-V210 CarbonylContact C-O 3.55Å; S168-V210 WeakPolarHBondContact CA-O 3.25Å; S168-T211 PolarHBondContact OG-OG1 3.04Å; S168-Y238 PolarHBondContact O-N 3.34Å |
| 169 | V | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 149.3 | 169 | -63.7 | 0 | 0 | 0 | 0 | 112 | L171 K209 V210 F212 V218 L222 V235 K236 | V169-L171 HydrophobicContact CG2-CD2 4.23Å; V169-K209 CarbonylContact O-C 3.48Å; V169-K209 WeakPolarHBondContact O-CA 3.44Å; V169-V210 HydrophobicContact CG2-CB 3.85Å; V169-V210 PolarHBondContact N-O 3.42Å; V169-V210 PolarHBondContact O-N 3.14Å; V169-F212 HydrophobicContact CB-CE2 4.46Å; V169-F212 HydrophobicContact CG1-CE2 4.04Å; V169-F212 HydrophobicContact CG2-CE2 3.71Å; V169-F212 HydrophobicContact CG2-CZ 4.19Å; V169-V218 HydrophobicContact CG1-CB 4.46Å; V169-V218 HydrophobicContact CG1-CG1 3.82Å; V169-V218 HydrophobicContact CG1-CG2 4.23Å; V169-L222 HydrophobicContact CG1-CD2 4.23Å; V169-L222 HydrophobicContact CG1-CG 4.33Å; V169-V235 HydrophobicContact CB-CG1 3.79Å; V169-V235 HydrophobicContact CG1-CG1 4.14Å; V169-V235 HydrophobicContact CG2-CG1 3.96Å; V169-K236 CarbonylContact C-O 3.6Å; V169-K236 VanDerWaalsContact CA-O 3.25Å; V169-K236 WeakPolarHBondContact CA-O 3.16Å; V169-K236 WeakPolarHBondContact CB-O 3.28Å |
| 170 | L | 85.9 | Confident | 80.9 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129 | 172.2 | 179.1 | 61.8 | 0 | 0 | 0 | 107.9 | E172 L203 V235 K236 Y238 | L170-E172 HydrophobicContact CD2-CG 4.32Å; L170-E172 WeakPolarHBondContact CD2-OE1 3.44Å; L170-E172 HydrophobicContact CG-CG 4.3Å; L170-L203 HydrophobicContact CD1-CD1 3.81Å; L170-V235 WeakPolarHBondContact O-CA 3.37Å; L170-K236 HydrophobicContact CB-CB 4.44Å; L170-K236 PolarHBondContact N-O 2.99Å; L170-K236 PolarHBondContact O-N 3.36Å; L170-Y238 HydrophobicContact CB-CD2 4.07Å; L170-Y238 HydrophobicContact CD1-CD2 4.22Å |
| 171 | L | 86.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.9 | 168.4 | -47.7 | -176.4 | 0 | 0 | 0 | 108.9 | V169 M174 L183 F187 T207 A208 V210 V235 | V169-L171 HydrophobicContact CG2-CD2 4.23Å; L171-M174 HydrophobicContact CB-CG 4.18Å; L171-M174 HydrophobicContact CB-SD 3.93Å; L171-M174 HydrophobicContact CD1-SD 3.96Å; L171-L183 HydrophobicContact CD1-CD1 3.84Å; L171-L183 HydrophobicContact CD1-CD2 3.62Å; L171-L183 HydrophobicContact CD1-CG 4.25Å; L171-F187 HydrophobicContact CD1-CE2 3.84Å; L171-F187 HydrophobicContact CD1-CZ 4.27Å; L171-F187 HydrophobicContact CD2-CE2 3.99Å; L171-F187 HydrophobicContact CD2-CZ 3.63Å; L171-T207 WeakPolarHBondContact O-CA 3.44Å; L171-T207 WeakPolarHBondContact O-CB 3.47Å; L171-A208 HydrophobicContact CD1-CB 4.42Å; L171-A208 PolarHBondContact N-O 3.44Å; L171-A208 PolarHBondContact O-N 2.91Å; L171-V210 HydrophobicContact CD1-CG2 3.77Å; L171-V210 HydrophobicContact CG-CG2 4.13Å; L171-V235 HydrophobicContact CD2-CB 4.39Å; L171-V235 HydrophobicContact CD2-CG1 3.99Å; L171-V235 HydrophobicContact CD2-CG2 3.73Å |
| 172 | E | 83.2 | Confident | 80.7 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 162.5 | 169.7 | -69.7 | 167.3 | -157.2 | 0 | 0 | 109.4 | L170 T207 V234 K236 | L170-E172 HydrophobicContact CD2-CG 4.32Å; L170-E172 WeakPolarHBondContact CD2-OE1 3.44Å; L170-E172 HydrophobicContact CG-CG 4.3Å; E172-T207 HydrophobicContact CG-CG2 4.02Å; E172-V234 HydrophobicContact CB-CB 4.03Å; E172-V234 HydrophobicContact CB-CG1 4.33Å; E172-V234 PolarHBondContact N-O 3.43Å; E172-V234 PolarHBondContact O-N 3.28Å; E172-K236 WeakPolarHBondContact OE1-CD 3.36Å; E172-K236 WeakPolarHBondContact OE1-CE 3.43Å; E172-K236 IonicContact OE1-NZ 2.72Å; E172-K236 PolarHBondContact OE1-NZ 3.31Å; E172-K236 VanDerWaalsContact OE2-CE 3.3Å; E172-K236 WeakPolarHBondContact OE2-CE 3.45Å; E172-K236 IonicContact OE2-NZ 3.91Å; E172-K236 PolarHBondContact OE2-NZ 3.47Å |
| 173 | N | 82.4 | Confident | 80.8 | Confident | 99 Ų | 99 | 45.4 Ų | 45.4 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 63 | 37.9 | -178.5 | -163.1 | 56 | 0 | 0 | 0 | 114 | G206 T231 E232 | N173-G206 PolarHBondContact N-O 2.96Å; N173-T231 VanDerWaalsContact O-CG2 3.3Å; N173-T231 WeakPolarHBondContact O-CG2 3.27Å; N173-E232 PolarHBondContact ND2-O 3.03Å |
| 174 | M | 81.8 | Confident | 81 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | trans | -76.6 | 149.1 | 173.9 | -56.2 | -164.6 | -49 | 0 | 0 | 112.2 | L171 L183 M202 G206 A208 L233 | L171-M174 HydrophobicContact CB-CG 4.18Å; L171-M174 HydrophobicContact CB-SD 3.93Å; L171-M174 HydrophobicContact CD1-SD 3.96Å; M174-L183 HydrophobicContact SD-CD1 3.82Å; M174-L183 HydrophobicContact SD-CD2 4.35Å; M174-M202 HydrophobicContact CE-CE 3.47Å; M174-M202 VanDerWaalsContact CE-CE 3.47Å; M174-M202 HydrophobicContact CE-SD 4.19Å; M174-G206 PolarHBondContact N-O 2.91Å; M174-A208 HydrophobicContact CE-CB 3.75Å; M174-A208 HydrophobicContact SD-CB 3.82Å; M174-L233 HydrophobicContact CB-CD2 4.43Å; M174-L233 HydrophobicContact CG-CD2 4.05Å | ||
| 175 | H | 75.9 | Confident | 81.3 | Confident | 98 Ų | 98 | 49 Ų | 49 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | trans | -73.5 | 140.4 | 172.5 | -175.4 | -81 | 0 | 0 | 0 | 110.9 | G177 T178 | H175-G177 PolarHBondContact ND1-N 3Å; H175-G177 PolarHBondContact O-N 3.19Å; H175-T178 WeakPolarHBondContact O-CB 3.49Å; H175-T178 PolarHBondContact O-N 2.96Å; H175-T178 VanDerWaalsContact O-N 3.11Å; H175-T178 PolarHBondContact O-OG1 2.8Å | ||
| 176 | P | 67.2 | Low | 81.8 | Confident | 105 Ų | 105 | 48.5 Ų | 48.5 | 68% | 0.682 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 30.8 | 178.7 | -24.2 | 35.7 | 0 | 0 | 0 | 117.5 | ||
| 177 | G | 67.1 | Low | 82.1 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 58% | 0.577 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.2 | 20 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H175 | H175-G177 PolarHBondContact ND1-N 3Å; H175-G177 PolarHBondContact O-N 3.19Å |
| 178 | T | 80.1 | Confident | 82.4 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | trans | -87.9 | 110.6 | -176.5 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | H175 L182 L183 | H175-T178 WeakPolarHBondContact O-CB 3.49Å; H175-T178 PolarHBondContact O-N 2.96Å; H175-T178 VanDerWaalsContact O-N 3.11Å; H175-T178 PolarHBondContact O-OG1 2.8Å; T178-L182 HydrophobicContact CG2-CD2 4.49Å; T178-L183 HydrophobicContact CG2-CD1 4.29Å; T178-L183 HydrophobicContact CG2-CD2 3.65Å; T178-L183 HydrophobicContact CG2-CG 3.8Å | ||
| 179 | S | 81.8 | Confident | 82.2 | Confident | 53 Ų | 53 | 51 Ų | 51 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | trans | -81.1 | 153 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 112.6 | D181 L182 L183 | S179-D181 VanDerWaalsContact C-N 3.25Å; S179-D181 PolarHBondContact O-N 2.99Å; S179-L182 WeakPolarHBondContact O-CB 3.37Å; S179-L182 PolarHBondContact O-N 2.89Å; S179-L182 VanDerWaalsContact O-N 3.08Å; S179-L182 WeakPolarHBondContact OG-CB 3.43Å; S179-L182 PolarHBondContact OG-N 3.49Å; S179-L183 PolarHBondContact O-N 3.05Å | ||
| 180 | P | 84.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 59.3 Ų | 59.3 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 175.3 | -25.7 | 34.4 | 0 | 0 | 0 | 113.1 | L182 L183 R184 V200 M202 | P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 3.48Å; P180-L183 PolarHBondContact O-N 2.83Å; P180-R184 PolarHBondContact O-N 3.34Å; P180-V200 HydrophobicContact CB-CB 4.17Å; P180-V200 HydrophobicContact CB-CG1 4.02Å; P180-M202 HydrophobicContact CG-CG 3.79Å; P180-M202 HydrophobicContact CG-SD 4.06Å |
| 181 | D | 82.8 | Confident | 81.1 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.3 | -35 | 178 | -57.6 | -58.6 | 0 | 0 | 0 | 112.6 | S179 R184 L185 | S179-D181 VanDerWaalsContact C-N 3.25Å; S179-D181 PolarHBondContact O-N 2.99Å; D181-R184 PolarHBondContact O-N 3.31Å; D181-L185 WeakPolarHBondContact O-CB 3.48Å; D181-L185 PolarHBondContact O-N 3.1Å |
| 182 | L | 84.8 | Confident | 80.4 | Confident | 57 Ų | 57 | 66 Ų | 66 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.3 | -40.5 | 176.7 | -179.6 | 62.6 | 0 | 0 | 0 | 111.1 | T178 S179 P180 Y186 V228 N229 | T178-L182 HydrophobicContact CG2-CD2 4.49Å; S179-L182 WeakPolarHBondContact O-CB 3.37Å; S179-L182 PolarHBondContact O-N 2.89Å; S179-L182 VanDerWaalsContact O-N 3.08Å; S179-L182 WeakPolarHBondContact OG-CB 3.43Å; S179-L182 PolarHBondContact OG-N 3.49Å; P180-L182 VanDerWaalsContact C-N 3.32Å; P180-L182 PolarHBondContact O-N 3.48Å; L182-Y186 VanDerWaalsContact O-CB 3.25Å; L182-Y186 WeakPolarHBondContact O-CB 3.48Å; L182-Y186 PolarHBondContact O-N 2.87Å; L182-V228 HydrophobicContact CD2-CG1 4.13Å; L182-V228 HydrophobicContact CG-CG1 4.39Å; L182-N229 WeakPolarHBondContact CD2-ND2 3.49Å |
| 183 | L | 85 | Confident | 80.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 173 | -65.6 | 173.1 | 0 | 0 | 0 | 110.8 | L171 M174 T178 S179 P180 Y186 F187 V200 M202 A208 L233 | L171-L183 HydrophobicContact CD1-CD1 3.84Å; L171-L183 HydrophobicContact CD1-CD2 3.62Å; L171-L183 HydrophobicContact CD1-CG 4.25Å; M174-L183 HydrophobicContact SD-CD1 3.82Å; M174-L183 HydrophobicContact SD-CD2 4.35Å; T178-L183 HydrophobicContact CG2-CD1 4.29Å; T178-L183 HydrophobicContact CG2-CD2 3.65Å; T178-L183 HydrophobicContact CG2-CG 3.8Å; S179-L183 PolarHBondContact O-N 3.05Å; P180-L183 PolarHBondContact O-N 2.83Å; L183-Y186 PolarHBondContact O-N 2.75Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 PolarHBondContact O-N 3.49Å; L183-V200 HydrophobicContact CB-CG1 4.12Å; L183-V200 HydrophobicContact CB-CG2 4.49Å; L183-V200 HydrophobicContact CD1-CG1 3.84Å; L183-M202 HydrophobicContact CD1-SD 4.19Å; L183-A208 HydrophobicContact CD1-CB 4.12Å; L183-L233 HydrophobicContact CD2-CD1 4.36Å |
| 184 | R | 86.1 | Confident | 80.1 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.3 | -54.8 | 176.3 | -169.2 | -177.8 | -160.9 | 126.3 | 17.1 | 111.5 | P180 D181 Y186 F187 E188 V197 K198 V200 | P180-R184 PolarHBondContact O-N 3.34Å; D181-R184 PolarHBondContact O-N 3.31Å; R184-Y186 PolarHBondContact O-N 2.91Å; R184-F187 PolarHBondContact O-N 3.12Å; R184-E188 WeakPolarHBondContact CG-OE1 3.41Å; R184-E188 IonicContact CZ-OE1 2.71Å; R184-E188 IonicContact NE-OE1 3.72Å; R184-E188 PolarHBondContact NE-OE1 3.41Å; R184-E188 IonicContact NH2-OE1 2.65Å; R184-E188 WeakPolarHBondContact O-CB 3.44Å; R184-E188 WeakPolarHBondContact O-CG 3.37Å; R184-E188 PolarHBondContact O-N 2.65Å; R184-V197 HydrophobicContact CG-CB 3.99Å; R184-V197 HydrophobicContact CG-CG1 4.05Å; R184-V197 PolarHBondContact NH2-O 2.96Å; R184-K198 PolarHBondContact NH2-O 2.96Å; R184-V200 HydrophobicContact CB-CG2 4.15Å |
| 185 | L | 83.8 | Confident | 80.1 | Confident | 121 Ų | 121 | 66 Ų | 66 | 63% | 0.634 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.3 | -35.2 | 177.1 | -88.4 | 158.7 | 0 | 0 | 0 | 112.7 | D181 S189 | D181-L185 WeakPolarHBondContact O-CB 3.48Å; D181-L185 PolarHBondContact O-N 3.1Å; L185-S189 WeakPolarHBondContact O-CB 3.37Å; L185-S189 PolarHBondContact O-N 3.17Å |
| 186 | Y | 86.4 | Confident | 80.3 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 9% | 0.09 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.4 | -51.4 | 178.4 | 176.7 | -106.8 | 0 | 0 | 0 | 112.2 | L182 L183 R184 E188 S189 Q191 G192 H226 K227 V228 | L182-Y186 VanDerWaalsContact O-CB 3.25Å; L182-Y186 WeakPolarHBondContact O-CB 3.48Å; L182-Y186 PolarHBondContact O-N 2.87Å; L183-Y186 PolarHBondContact O-N 2.75Å; R184-Y186 PolarHBondContact O-N 2.91Å; Y186-E188 VanDerWaalsContact C-N 3.34Å; Y186-E188 PolarHBondContact O-N 2.76Å; Y186-S189 WeakPolarHBondContact O-CB 3.45Å; Y186-S189 PolarHBondContact O-N 2.89Å; Y186-S189 PolarHBondContact O-OG 2.75Å; Y186-Q191 HydrophobicContact CE2-CB 4Å; Y186-Q191 PolarHBondContact OH-O 3.34Å; Y186-Q191 VanDerWaalsContact OH-O 3.13Å; Y186-G192 VanDerWaalsContact O-CA 3.28Å; Y186-G192 WeakPolarHBondContact O-CA 3.4Å; Y186-G192 PolarHBondContact O-N 3.29Å; Y186-H226 HydrophobicContact CE1-CB 4.07Å; Y186-H226 AromaticContact CE1-CE1 2.75Å; Y186-H226 WeakPolarHBondContact CE1-CE1 3.47Å; Y186-H226 AromaticContact CE1-ND1 3.41Å; Y186-H226 WeakPolarHBondContact CE1-ND1 3.36Å; Y186-H226 AromaticContact CZ-CE1 2.75Å; Y186-H226 AromaticContact CZ-ND1 3.67Å; Y186-H226 WeakPolarHBondContact OH-CA 3.14Å; Y186-H226 PolarHBondContact OH-CE1 2.93Å; Y186-H226 PolarHBondContact OH-ND1 3.1Å; Y186-H226 VanDerWaalsContact OH-ND1 3.08Å; Y186-K227 PolarHBondContact OH-N 3.19Å; Y186-V228 HydrophobicContact CD1-CG2 3.57Å; Y186-V228 HydrophobicContact CD2-CG2 3.81Å; Y186-V228 HydrophobicContact CE1-CG2 3.69Å; Y186-V228 HydrophobicContact CE2-CG2 3.95Å; Y186-V228 HydrophobicContact CG-CG2 3.63Å |
| 187 | F | 86.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.3 | -28.1 | 179.6 | -70.7 | -71.4 | 0 | 0 | 0 | 113.6 | L171 L183 R184 S189 G192 N194 Q195 V197 V210 F212 V221 H226 | L171-F187 HydrophobicContact CD1-CE2 3.84Å; L171-F187 HydrophobicContact CD1-CZ 4.27Å; L171-F187 HydrophobicContact CD2-CE2 3.99Å; L171-F187 HydrophobicContact CD2-CZ 3.63Å; L183-F187 WeakPolarHBondContact O-CD2 3.39Å; L183-F187 PolarHBondContact O-N 3.49Å; R184-F187 PolarHBondContact O-N 3.12Å; F187-S189 PolarHBondContact O-N 3.23Å; F187-G192 WeakPolarHBondContact CD1-O 3.41Å; F187-N194 PolarHBondContact O-N 3.03Å; F187-Q195 PolarHBondContact O-N 3.29Å; F187-V197 HydrophobicContact CB-CG2 3.73Å; F187-V210 HydrophobicContact CD2-CG1 4.17Å; F187-V210 HydrophobicContact CD2-CG2 4.21Å; F187-V210 HydrophobicContact CE2-CG2 4.09Å; F187-F212 HydrophobicContact CB-CE1 4.03Å; F187-F212 HydrophobicContact CB-CZ 4.38Å; F187-F212 HydrophobicContact CD1-CZ 4.21Å; F187-F212 HydrophobicContact CG-CE1 4.42Å; F187-F212 HydrophobicContact CG-CZ 4.28Å; F187-V221 HydrophobicContact CD1-CG1 4.01Å; F187-V221 HydrophobicContact CD1-CG2 4.49Å; F187-V221 HydrophobicContact CE1-CG1 3.73Å; F187-H226 AromaticContact CE1-ND1 3.86Å; F187-H226 AromaticContact CE1-NE2 3.95Å |
| 188 | E | 86.4 | Confident | 81.8 | Confident | 74 Ų | 74 | 66.2 Ų | 66.2 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.7 | 169.6 | -68.6 | 176.5 | -175.2 | 0 | 0 | 112.9 | R184 Y186 Q195 V197 | R184-E188 WeakPolarHBondContact CG-OE1 3.41Å; R184-E188 IonicContact CZ-OE1 2.71Å; R184-E188 IonicContact NE-OE1 3.72Å; R184-E188 PolarHBondContact NE-OE1 3.41Å; R184-E188 IonicContact NH2-OE1 2.65Å; R184-E188 WeakPolarHBondContact O-CB 3.44Å; R184-E188 WeakPolarHBondContact O-CG 3.37Å; R184-E188 PolarHBondContact O-N 2.65Å; Y186-E188 VanDerWaalsContact C-N 3.34Å; Y186-E188 PolarHBondContact O-N 2.76Å; E188-Q195 WeakPolarHBondContact CG-O 3.46Å; E188-V197 HydrophobicContact CG-CB 4.25Å; E188-V197 HydrophobicContact CG-CG2 4.09Å; E188-V197 PolarHBondContact OE1-N 3.32Å |
| 189 | S | 82.7 | Confident | 82 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -91.6 | 161.2 | 176.1 | 83.6 | 0 | 0 | 0 | 0 | 113.7 | L185 Y186 F187 Q191 G192 G193 N194 | L185-S189 WeakPolarHBondContact O-CB 3.37Å; L185-S189 PolarHBondContact O-N 3.17Å; Y186-S189 WeakPolarHBondContact O-CB 3.45Å; Y186-S189 PolarHBondContact O-N 2.89Å; Y186-S189 PolarHBondContact O-OG 2.75Å; F187-S189 PolarHBondContact O-N 3.23Å; S189-Q191 PolarHBondContact O-N 2.95Å; S189-Q191 VanDerWaalsContact O-N 3.11Å; S189-Q191 PolarHBondContact OG-N 3.06Å; S189-G192 PolarHBondContact O-N 3.02Å; S189-G192 VanDerWaalsContact O-N 3.11Å; S189-G192 PolarHBondContact OG-N 2.77Å; S189-G193 PolarHBondContact O-N 2.83Å; S189-N194 WeakPolarHBondContact O-CA 3.19Å; S189-N194 PolarHBondContact O-N 3.04Å |
| 190 | E | 74.6 | Confident | 82.2 | Confident | 173 Ų | 173 | 68.9 Ų | 68.9 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.8 | 172.7 | -64.3 | -172.5 | 159.4 | 0 | 0 | 113.7 | ||
| 191 | Q | 73.7 | Confident | 82.2 | Confident | 153 Ų | 153 | 68.9 Ų | 68.9 | 72% | 0.715 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -24.9 | -179.4 | -65.5 | -174.9 | -8.8 | 0 | 0 | 113.6 | Y186 S189 H226 | Y186-Q191 HydrophobicContact CE2-CB 4Å; Y186-Q191 PolarHBondContact OH-O 3.34Å; Y186-Q191 VanDerWaalsContact OH-O 3.13Å; S189-Q191 PolarHBondContact O-N 2.95Å; S189-Q191 VanDerWaalsContact O-N 3.11Å; S189-Q191 PolarHBondContact OG-N 3.06Å; Q191-H226 PolarHBondContact O-CE1 2.92Å; Q191-H226 VanDerWaalsContact O-CE1 3.31Å |
| 192 | G | 72.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y186 F187 S189 H226 | Y186-G192 VanDerWaalsContact O-CA 3.28Å; Y186-G192 WeakPolarHBondContact O-CA 3.4Å; Y186-G192 PolarHBondContact O-N 3.29Å; F187-G192 WeakPolarHBondContact CD1-O 3.41Å; S189-G192 PolarHBondContact O-N 3.02Å; S189-G192 VanDerWaalsContact O-N 3.11Å; S189-G192 PolarHBondContact OG-N 2.77Å; G192-H226 VanDerWaalsContact CA-CE1 3.43Å; G192-H226 WeakPolarHBondContact CA-CE1 3.38Å; G192-H226 WeakPolarHBondContact CA-NE2 3.48Å; G192-H226 PolarHBondContact O-NE2 3.3Å |
| 193 | G | 76.4 | Confident | 82.1 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | 4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S189 Q195 | S189-G193 PolarHBondContact O-N 2.83Å; G193-Q195 PolarHBondContact O-N 2.81Å; G193-Q195 PolarHBondContact O-NE2 2.97Å |
| 194 | N | 81.7 | Confident | 81.8 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 57% | 0.567 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 54.9 | 50.3 | 175.1 | -166.9 | 6.5 | 0 | 0 | 0 | 112.5 | F187 S189 | F187-N194 PolarHBondContact O-N 3.03Å; S189-N194 WeakPolarHBondContact O-CA 3.19Å; S189-N194 PolarHBondContact O-N 3.04Å |
| 195 | Q | 83.3 | Confident | 81.1 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 20% | 0.201 | 37% | 0.366 | C | S | . | . | trans | -112.6 | 135.1 | -178 | -60.2 | -53.7 | -50.6 | 0 | 0 | 110.9 | F187 E188 G193 V197 F212 S217 V221 | F187-Q195 PolarHBondContact O-N 3.29Å; E188-Q195 WeakPolarHBondContact CG-O 3.46Å; G193-Q195 PolarHBondContact O-N 2.81Å; G193-Q195 PolarHBondContact O-NE2 2.97Å; Q195-V197 PolarHBondContact O-N 3.09Å; Q195-V197 VanDerWaalsContact O-N 3.12Å; Q195-F212 HydrophobicContact CB-CD1 3.75Å; Q195-F212 HydrophobicContact CB-CE1 3.79Å; Q195-S217 PolarHBondContact OE1-OG 2.78Å; Q195-V221 HydrophobicContact CB-CG2 4.41Å; Q195-V221 HydrophobicContact CG-CG2 3.81Å | ||
| 196 | R | 80.1 | Confident | 80.7 | Confident | 169 Ų | 169 | 69.6 Ų | 69.6 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | trans | -69.5 | 109.6 | 178.7 | -174.8 | -178.6 | -178.5 | -163.7 | -0.4 | 109.9 | A213 | R196-A213 HydrophobicContact CB-CB 4.16Å; R196-A213 HydrophobicContact CG-CB 4.1Å; R196-A213 PolarHBondContact O-N 3.32Å | ||
| 197 | V | 84.2 | Confident | 80.7 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 135.2 | 174.4 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | R184 F187 E188 Q195 E199 V200 V210 F212 | R184-V197 HydrophobicContact CG-CB 3.99Å; R184-V197 HydrophobicContact CG-CG1 4.05Å; R184-V197 PolarHBondContact NH2-O 2.96Å; F187-V197 HydrophobicContact CB-CG2 3.73Å; E188-V197 HydrophobicContact CG-CB 4.25Å; E188-V197 HydrophobicContact CG-CG2 4.09Å; E188-V197 PolarHBondContact OE1-N 3.32Å; Q195-V197 PolarHBondContact O-N 3.09Å; Q195-V197 VanDerWaalsContact O-N 3.12Å; V197-E199 WeakPolarHBondContact CG1-O 3.48Å; V197-V200 HydrophobicContact CG1-CG2 3.78Å; V197-V210 HydrophobicContact CG1-CG1 4.01Å; V197-V210 HydrophobicContact CG2-CG1 3.98Å; V197-F212 HydrophobicContact CG2-CD1 4.07Å; V197-F212 HydrophobicContact CG2-CE1 3.79Å |
| 198 | K | 81 | Confident | 80.7 | Confident | 94 Ų | 94 | 70.3 Ų | 70.3 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -56.2 | 168 | -175 | 178.6 | -174.1 | 173.4 | 0 | 109.4 | E15 R184 T211 | E15-K198 VanDerWaalsContact OE1-CE 3.24Å; E15-K198 WeakPolarHBondContact OE1-CE 3.31Å; E15-K198 IonicContact OE1-NZ 2.72Å; E15-K198 PolarHBondContact OE1-NZ 3.17Å; R184-K198 PolarHBondContact NH2-O 2.96Å; K198-T211 WeakPolarHBondContact CA-O 3.11Å; K198-T211 HydrophobicContact CB-CG2 4.4Å; K198-T211 WeakPolarHBondContact CB-O 3.45Å; K198-T211 PolarHBondContact N-O 2.97Å |
| 199 | E | 83.5 | Confident | 80.8 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.3 | -169.8 | -168.6 | -179.4 | 156 | 0 | 0 | 111.5 | V197 T201 T211 | V197-E199 WeakPolarHBondContact CG1-O 3.48Å; E199-T201 PolarHBondContact OE1-OG1 2.87Å; E199-T211 PolarHBondContact N-O 3.44Å; E199-T211 PolarHBondContact O-N 3.29Å |
| 200 | V | 86.7 | Confident | 81 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.4 | 169.2 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | P180 L183 R184 V197 K209 V210 | P180-V200 HydrophobicContact CB-CB 4.17Å; P180-V200 HydrophobicContact CB-CG1 4.02Å; L183-V200 HydrophobicContact CB-CG1 4.12Å; L183-V200 HydrophobicContact CB-CG2 4.49Å; L183-V200 HydrophobicContact CD1-CG1 3.84Å; R184-V200 HydrophobicContact CB-CG2 4.15Å; V197-V200 HydrophobicContact CG1-CG2 3.78Å; V200-K209 WeakPolarHBondContact CA-O 3.48Å; V200-V210 HydrophobicContact CG1-CG2 4.17Å; V200-V210 HydrophobicContact CG2-CG1 4.37Å; V200-V210 HydrophobicContact CG2-CG2 4.21Å |
| 201 | T | 85 | Confident | 81.5 | Confident | 49 Ų | 49 | 59 Ų | 59 | 30% | 0.301 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.4 | -177.7 | -34.8 | 0 | 0 | 0 | 0 | 108.8 | E199 A208 K209 | E199-T201 PolarHBondContact OE1-OG1 2.87Å; T201-A208 CarbonylContact O-C 3.54Å; T201-A208 WeakPolarHBondContact O-CA 3.03Å; T201-K209 PolarHBondContact N-O 2.95Å; T201-K209 PolarHBondContact O-N 2.85Å |
| 202 | M | 84.3 | Confident | 82 | Confident | 72 Ų | 72 | 51.8 Ų | 51.8 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.9 | 175.7 | -57.1 | -64.9 | -73.6 | 0 | 0 | 109.3 | M174 P180 L183 A208 | M174-M202 HydrophobicContact CE-CE 3.47Å; M174-M202 VanDerWaalsContact CE-CE 3.47Å; M174-M202 HydrophobicContact CE-SD 4.19Å; P180-M202 HydrophobicContact CG-CG 3.79Å; P180-M202 HydrophobicContact CG-SD 4.06Å; L183-M202 HydrophobicContact CD1-SD 4.19Å; M202-A208 HydrophobicContact SD-CB 3.89Å |
| 203 | L | 80.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | trans | -103.2 | -31.1 | 179.9 | -60.4 | 176.2 | 0 | 0 | 0 | 111.6 | L170 T207 K209 Y238 | L170-L203 HydrophobicContact CD1-CD1 3.81Å; L203-T207 PolarHBondContact N-O 3.25Å; L203-K209 HydrophobicContact CD1-CB 4.24Å; L203-K209 HydrophobicContact CG-CB 4.43Å; L203-Y238 HydrophobicContact CD1-CE2 3.99Å | ||
| 204 | S | 77.6 | Confident | 82 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -156.7 | -179.8 | 170 | 72.7 | 0 | 0 | 0 | 0 | 110.2 | G206 T207 | S204-G206 PolarHBondContact O-N 2.93Å; S204-G206 PolarHBondContact OG-N 3.22Å; S204-T207 PolarHBondContact N-O 3.2Å; S204-T207 PolarHBondContact N-OG1 3.17Å; S204-T207 PolarHBondContact O-N 2.86Å; S204-T207 VanDerWaalsContact O-O 3.07Å; S204-T207 PolarHBondContact OG-N 2.99Å; S204-T207 PolarHBondContact OG-OG1 3.2Å |
| 205 | E | 72 | Confident | 81.6 | Confident | 165 Ų | 165 | 53.3 Ų | 53.3 | 77% | 0.771 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -59.5 | -23.4 | 172.4 | -60.7 | -169.6 | 155.8 | 0 | 0 | 113.3 | ||
| 206 | G | 75.9 | Confident | 81 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -111.7 | -6.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N173 M174 S204 | N173-G206 PolarHBondContact N-O 2.96Å; M174-G206 PolarHBondContact N-O 2.91Å; S204-G206 PolarHBondContact O-N 2.93Å; S204-G206 PolarHBondContact OG-N 3.22Å |
| 207 | T | 85.7 | Confident | 81 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 23% | 0.233 | 25% | 0.246 | C | C | . | . | trans | -137.3 | 145.8 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | L171 E172 L203 S204 | L171-T207 WeakPolarHBondContact O-CA 3.44Å; L171-T207 WeakPolarHBondContact O-CB 3.47Å; E172-T207 HydrophobicContact CG-CG2 4.02Å; L203-T207 PolarHBondContact N-O 3.25Å; S204-T207 PolarHBondContact N-O 3.2Å; S204-T207 PolarHBondContact N-OG1 3.17Å; S204-T207 PolarHBondContact O-N 2.86Å; S204-T207 VanDerWaalsContact O-O 3.07Å; S204-T207 PolarHBondContact OG-N 2.99Å; S204-T207 PolarHBondContact OG-OG1 3.2Å | ||
| 208 | A | 86.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L171 M174 L183 T201 M202 | L171-A208 HydrophobicContact CD1-CB 4.42Å; L171-A208 PolarHBondContact N-O 3.44Å; L171-A208 PolarHBondContact O-N 2.91Å; M174-A208 HydrophobicContact CE-CB 3.75Å; M174-A208 HydrophobicContact SD-CB 3.82Å; L183-A208 HydrophobicContact CD1-CB 4.12Å; T201-A208 CarbonylContact O-C 3.54Å; T201-A208 WeakPolarHBondContact O-CA 3.03Å; M202-A208 HydrophobicContact SD-CB 3.89Å |
| 209 | K | 88.4 | Confident | 80.3 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.9 | 167.5 | -175.5 | 178.8 | -176.3 | 170.8 | 0 | 108.6 | S168 V169 V200 T201 L203 Y238 D240 | S168-K209 WeakPolarHBondContact OG-CE 3.46Å; V169-K209 CarbonylContact O-C 3.48Å; V169-K209 WeakPolarHBondContact O-CA 3.44Å; V200-K209 WeakPolarHBondContact CA-O 3.48Å; T201-K209 PolarHBondContact N-O 2.95Å; T201-K209 PolarHBondContact O-N 2.85Å; L203-K209 HydrophobicContact CD1-CB 4.24Å; L203-K209 HydrophobicContact CG-CB 4.43Å; K209-Y238 HydrophobicContact CB-CD2 4.39Å; K209-Y238 HydrophobicContact CB-CE2 4.4Å; K209-Y238 HydrophobicContact CD-CD1 3.95Å; K209-Y238 HydrophobicContact CD-CD2 4.39Å; K209-Y238 HydrophobicContact CD-CE1 3.63Å; K209-Y238 HydrophobicContact CD-CE2 4.06Å; K209-Y238 HydrophobicContact CD-CG 4.35Å; K209-Y238 HydrophobicContact CG-CD1 4.13Å; K209-Y238 HydrophobicContact CG-CD2 4.14Å; K209-Y238 HydrophobicContact CG-CE1 4.27Å; K209-Y238 HydrophobicContact CG-CE2 4.25Å; K209-Y238 HydrophobicContact CG-CG 4.1Å; K209-D240 IonicContact NZ-OD1 3.62Å; K209-D240 PolarHBondContact NZ-OD1 2.94Å; K209-D240 IonicContact NZ-OD2 3.38Å |
| 210 | V | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.3 | 169.4 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | S168 V169 L171 F187 V197 V200 F212 | S168-V210 CarbonylContact C-O 3.55Å; S168-V210 WeakPolarHBondContact CA-O 3.25Å; V169-V210 HydrophobicContact CG2-CB 3.85Å; V169-V210 PolarHBondContact N-O 3.42Å; V169-V210 PolarHBondContact O-N 3.14Å; L171-V210 HydrophobicContact CD1-CG2 3.77Å; L171-V210 HydrophobicContact CG-CG2 4.13Å; F187-V210 HydrophobicContact CD2-CG1 4.17Å; F187-V210 HydrophobicContact CD2-CG2 4.21Å; F187-V210 HydrophobicContact CE2-CG2 4.09Å; V197-V210 HydrophobicContact CG1-CG1 4.01Å; V197-V210 HydrophobicContact CG2-CG1 3.98Å; V200-V210 HydrophobicContact CG1-CG2 4.17Å; V200-V210 HydrophobicContact CG2-CG1 4.37Å; V200-V210 HydrophobicContact CG2-CG2 4.21Å; V210-F212 HydrophobicContact CG1-CE1 4.05Å; V210-F212 HydrophobicContact CG1-CE2 4.22Å; V210-F212 HydrophobicContact CG1-CZ 3.78Å |
| 211 | T | 84.6 | Confident | 79.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.6 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 109 | S168 K198 E199 | S168-T211 PolarHBondContact OG-OG1 3.04Å; K198-T211 WeakPolarHBondContact CA-O 3.11Å; K198-T211 HydrophobicContact CB-CG2 4.4Å; K198-T211 WeakPolarHBondContact CB-O 3.45Å; K198-T211 PolarHBondContact N-O 2.97Å; E199-T211 PolarHBondContact N-O 3.44Å; E199-T211 PolarHBondContact O-N 3.29Å |
| 212 | F | 84.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 161.6 | 179.3 | -63.9 | -75.4 | 0 | 0 | 0 | 112.5 | D167 V169 F187 Q195 V197 V210 Y214 V218 V221 | D167-F212 WeakPolarHBondContact O-CD2 3.36Å; D167-F212 PolarHBondContact O-N 2.86Å; V169-F212 HydrophobicContact CB-CE2 4.46Å; V169-F212 HydrophobicContact CG1-CE2 4.04Å; V169-F212 HydrophobicContact CG2-CE2 3.71Å; V169-F212 HydrophobicContact CG2-CZ 4.19Å; F187-F212 HydrophobicContact CB-CE1 4.03Å; F187-F212 HydrophobicContact CB-CZ 4.38Å; F187-F212 HydrophobicContact CD1-CZ 4.21Å; F187-F212 HydrophobicContact CG-CE1 4.42Å; F187-F212 HydrophobicContact CG-CZ 4.28Å; Q195-F212 HydrophobicContact CB-CD1 3.75Å; Q195-F212 HydrophobicContact CB-CE1 3.79Å; V197-F212 HydrophobicContact CG2-CD1 4.07Å; V197-F212 HydrophobicContact CG2-CE1 3.79Å; V210-F212 HydrophobicContact CG1-CE1 4.05Å; V210-F212 HydrophobicContact CG1-CE2 4.22Å; V210-F212 HydrophobicContact CG1-CZ 3.78Å; F212-Y214 PolarHBondContact O-N 3.45Å; F212-V218 HydrophobicContact CD2-CG2 3.81Å; F212-V218 HydrophobicContact CE2-CG2 4.36Å; F212-V221 HydrophobicContact CE1-CG2 4.2Å; F212-V221 HydrophobicContact CE2-CG2 4.15Å; F212-V221 HydrophobicContact CZ-CB 4.43Å; F212-V221 HydrophobicContact CZ-CG1 4.29Å; F212-V221 HydrophobicContact CZ-CG2 3.71Å |
| 213 | A | 74.8 | Confident | 79 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.3 | -21.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R196 | R196-A213 HydrophobicContact CB-CB 4.16Å; R196-A213 HydrophobicContact CG-CB 4.1Å; R196-A213 PolarHBondContact O-N 3.32Å |
| 214 | Y | 74.8 | Confident | 78.9 | Confident | 114 Ų | 114 | 48.4 Ų | 48.4 | 45% | 0.447 | 24% | 0.244 | S | C | . | . | trans | -139.4 | 135.5 | -177.6 | -51.9 | -71.7 | 0 | 0 | 0 | 110.5 | F212 E216 S217 | F212-Y214 PolarHBondContact O-N 3.45Å; Y214-E216 PolarHBondContact O-N 2.87Å; Y214-S217 WeakPolarHBondContact O-CB 3.24Å; Y214-S217 PolarHBondContact O-N 3.26Å; Y214-S217 VanDerWaalsContact O-N 3.1Å; Y214-S217 PolarHBondContact O-OG 2.79Å | ||
| 215 | Y | 72.8 | Confident | 79 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -63.2 | -27.8 | 174.8 | 62.1 | -93.5 | 0 | 0 | 0 | 112.4 | K80 P82 Q165 S217 V218 | K80-Y215 HydrophobicContact CB-CE1 4.38Å; P82-Y215 HydrophobicContact CB-CD1 4.22Å; P82-Y215 HydrophobicContact CB-CG 4.45Å; Q165-Y215 HydrophobicContact CB-CD2 3.94Å; Q165-Y215 HydrophobicContact CB-CG 4.36Å; Y215-S217 PolarHBondContact O-N 3.24Å; Y215-S217 VanDerWaalsContact O-N 3.11Å; Y215-V218 PolarHBondContact O-N 3.45Å; Y215-V218 VanDerWaalsContact O-N 3.08Å |
| 216 | E | 71.5 | Confident | 79.5 | Confident | 94 Ų | 94 | 47.3 Ų | 47.3 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -59 | -21.6 | 174.6 | -57.2 | -178.5 | 160.2 | 0 | 0 | 112.5 | K80 Y214 C220 | K80-E216 IonicContact NZ-OE1 3.84Å; K80-E216 PolarHBondContact NZ-OE1 2.79Å; K80-E216 IonicContact NZ-OE2 3.31Å; Y214-E216 PolarHBondContact O-N 2.87Å; E216-C220 PolarHBondContact O-SG 3.43Å; E216-C220 VanDerWaalsContact O-SG 3.4Å |
| 217 | S | 79.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70.4 | -33.9 | 175.1 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | Q195 Y214 Y215 D219 C220 V221 | Q195-S217 PolarHBondContact OE1-OG 2.78Å; Y214-S217 WeakPolarHBondContact O-CB 3.24Å; Y214-S217 PolarHBondContact O-N 3.26Å; Y214-S217 VanDerWaalsContact O-N 3.1Å; Y214-S217 PolarHBondContact O-OG 2.79Å; Y215-S217 PolarHBondContact O-N 3.24Å; Y215-S217 VanDerWaalsContact O-N 3.11Å; S217-D219 PolarHBondContact O-N 3.49Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 3.15Å; S217-C220 VanDerWaalsContact O-N 3.1Å; S217-V221 WeakPolarHBondContact O-CG2 3.34Å; S217-V221 PolarHBondContact O-N 3.11Å |
| 218 | V | 79 | Confident | 79.5 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | -170.5 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | T166 D167 V169 F212 Y215 C220 V221 L222 | T166-V218 HydrophobicContact CG2-CG1 4.24Å; T166-V218 WeakPolarHBondContact O-CG2 3.31Å; D167-V218 VanDerWaalsContact C-CG2 3.47Å; V169-V218 HydrophobicContact CG1-CB 4.46Å; V169-V218 HydrophobicContact CG1-CG1 3.82Å; V169-V218 HydrophobicContact CG1-CG2 4.23Å; F212-V218 HydrophobicContact CD2-CG2 3.81Å; F212-V218 HydrophobicContact CE2-CG2 4.36Å; Y215-V218 PolarHBondContact O-N 3.45Å; Y215-V218 VanDerWaalsContact O-N 3.08Å; V218-C220 PolarHBondContact O-N 3.37Å; V218-V221 PolarHBondContact O-N 3.36Å; V218-L222 HydrophobicContact CG1-CD1 3.54Å; V218-L222 HydrophobicContact CG1-CG 4.15Å; V218-L222 WeakPolarHBondContact O-CB 3.23Å; V218-L222 VanDerWaalsContact O-CG 3.31Å; V218-L222 WeakPolarHBondContact O-CG 3.36Å; V218-L222 PolarHBondContact O-N 3.41Å |
| 219 | D | 71.7 | Confident | 78.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70 | -13.6 | 177.7 | -74.2 | -21.9 | 0 | 0 | 0 | 113.3 | R88 Q165 S217 R223 | R88-D219 IonicContact CZ-OD1 2.74Å; R88-D219 IonicContact NH1-OD1 3.47Å; R88-D219 PolarHBondContact NH1-OD1 3.45Å; R88-D219 IonicContact NH2-OD1 3.5Å; R88-D219 PolarHBondContact NH2-OD1 3Å; Q165-D219 PolarHBondContact NE2-OD2 2.95Å; S217-D219 PolarHBondContact O-N 3.49Å; D219-R223 VanDerWaalsContact O-CD 3.24Å; D219-R223 WeakPolarHBondContact O-CD 3.31Å; D219-R223 VanDerWaalsContact O-CG 3.31Å; D219-R223 WeakPolarHBondContact O-CG 3.39Å; D219-R223 PolarHBondContact O-NE 3.03Å; D219-R223 VanDerWaalsContact O-NE 3.13Å |
| 220 | C | 76.2 | Confident | 77.9 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -81.3 | -44.3 | 170.2 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | E216 S217 V218 R223 | E216-C220 PolarHBondContact O-SG 3.43Å; E216-C220 VanDerWaalsContact O-SG 3.4Å; S217-C220 WeakPolarHBondContact O-CB 3.37Å; S217-C220 PolarHBondContact O-N 3.15Å; S217-C220 VanDerWaalsContact O-N 3.1Å; V218-C220 PolarHBondContact O-N 3.37Å; C220-R223 PolarHBondContact O-N 3.44Å |
| 221 | V | 81.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | F187 Q195 F212 S217 V218 R223 L224 V235 | F187-V221 HydrophobicContact CD1-CG1 4.01Å; F187-V221 HydrophobicContact CD1-CG2 4.49Å; F187-V221 HydrophobicContact CE1-CG1 3.73Å; Q195-V221 HydrophobicContact CB-CG2 4.41Å; Q195-V221 HydrophobicContact CG-CG2 3.81Å; F212-V221 HydrophobicContact CE1-CG2 4.2Å; F212-V221 HydrophobicContact CE2-CG2 4.15Å; F212-V221 HydrophobicContact CZ-CB 4.43Å; F212-V221 HydrophobicContact CZ-CG1 4.29Å; F212-V221 HydrophobicContact CZ-CG2 3.71Å; S217-V221 WeakPolarHBondContact O-CG2 3.34Å; S217-V221 PolarHBondContact O-N 3.11Å; V218-V221 PolarHBondContact O-N 3.36Å; V221-R223 PolarHBondContact O-N 3.5Å; V221-L224 PolarHBondContact O-N 2.93Å; V221-V235 HydrophobicContact CG1-CG1 4.19Å |
| 222 | L | 79.8 | Confident | 77.3 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -7.2 | -178.7 | -67.8 | 171.5 | 0 | 0 | 0 | 115.6 | V169 V218 V235 A237 | V169-L222 HydrophobicContact CG1-CD2 4.23Å; V169-L222 HydrophobicContact CG1-CG 4.33Å; V218-L222 HydrophobicContact CG1-CD1 3.54Å; V218-L222 HydrophobicContact CG1-CG 4.15Å; V218-L222 WeakPolarHBondContact O-CB 3.23Å; V218-L222 VanDerWaalsContact O-CG 3.31Å; V218-L222 WeakPolarHBondContact O-CG 3.36Å; V218-L222 PolarHBondContact O-N 3.41Å; L222-V235 HydrophobicContact CD2-CB 4.48Å; L222-V235 HydrophobicContact CD2-CG1 3.94Å; L222-V235 WeakPolarHBondContact CD2-O 3.45Å; L222-A237 HydrophobicContact CD1-CB 3.98Å |
| 223 | R | 75.3 | Confident | 77.2 | Confident | 202 Ų | 202 | 66.8 Ų | 66.8 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -6.2 | 175.4 | -67.5 | 175.3 | -168 | 171.4 | 8.9 | 113.5 | D219 C220 V221 | D219-R223 VanDerWaalsContact O-CD 3.24Å; D219-R223 WeakPolarHBondContact O-CD 3.31Å; D219-R223 VanDerWaalsContact O-CG 3.31Å; D219-R223 WeakPolarHBondContact O-CG 3.39Å; D219-R223 PolarHBondContact O-NE 3.03Å; D219-R223 VanDerWaalsContact O-NE 3.13Å; C220-R223 PolarHBondContact O-N 3.44Å; V221-R223 PolarHBondContact O-N 3.5Å |
| 224 | L | 78.9 | Confident | 77.7 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 41% | 0.414 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -99.3 | 148.1 | 179.7 | -63.2 | 172.6 | 0 | 0 | 0 | 110.3 | V221 H226 | V221-L224 PolarHBondContact O-N 2.93Å; L224-H226 PolarHBondContact O-CD2 2.97Å |
| 225 | Q | 78.1 | Confident | 78.1 | Confident | 193 Ų | 193 | 64.8 Ų | 64.8 | 90% | 0.902 | 32% | 0.32 | S | S | * | . | trans | -85.6 | 123.8 | 167.2 | -72 | -178 | -37.7 | 0 | 0 | 108.4 | ||||
| 226 | H | 83.8 | Confident | 78.6 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.8 | -174.4 | -68.6 | -65.4 | 0 | 0 | 0 | 111.7 | Y186 F187 Q191 G192 L224 E232 L233 V235 | Y186-H226 HydrophobicContact CE1-CB 4.07Å; Y186-H226 AromaticContact CE1-CE1 2.75Å; Y186-H226 WeakPolarHBondContact CE1-CE1 3.47Å; Y186-H226 AromaticContact CE1-ND1 3.41Å; Y186-H226 WeakPolarHBondContact CE1-ND1 3.36Å; Y186-H226 AromaticContact CZ-CE1 2.75Å; Y186-H226 AromaticContact CZ-ND1 3.67Å; Y186-H226 WeakPolarHBondContact OH-CA 3.14Å; Y186-H226 PolarHBondContact OH-CE1 2.93Å; Y186-H226 PolarHBondContact OH-ND1 3.1Å; Y186-H226 VanDerWaalsContact OH-ND1 3.08Å; F187-H226 AromaticContact CE1-ND1 3.86Å; F187-H226 AromaticContact CE1-NE2 3.95Å; Q191-H226 PolarHBondContact O-CE1 2.92Å; Q191-H226 VanDerWaalsContact O-CE1 3.31Å; G192-H226 VanDerWaalsContact CA-CE1 3.43Å; G192-H226 WeakPolarHBondContact CA-CE1 3.38Å; G192-H226 WeakPolarHBondContact CA-NE2 3.48Å; G192-H226 PolarHBondContact O-NE2 3.3Å; L224-H226 PolarHBondContact O-CD2 2.97Å; H226-E232 WeakPolarHBondContact O-CA 3.4Å; H226-L233 HydrophobicContact CB-CB 4.1Å; H226-L233 PolarHBondContact O-N 3.29Å; H226-V235 HydrophobicContact CB-CG2 4.06Å; H226-V235 VanDerWaalsContact CD2-CG2 3.49Å; H226-V235 WeakPolarHBondContact CD2-CG2 3.3Å |
| 227 | K | 80.8 | Confident | 79.1 | Confident | 97 Ų | 97 | 64.8 Ų | 64.8 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 118.5 | -177.8 | -174.7 | 171.3 | 171.9 | 176.3 | 0 | 110.1 | Y186 D230 T231 E232 | Y186-K227 PolarHBondContact OH-N 3.19Å; K227-D230 VanDerWaalsContact CE-C 3.49Å; K227-D230 VanDerWaalsContact CE-CA 3.42Å; K227-D230 VanDerWaalsContact CE-O 3.25Å; K227-D230 WeakPolarHBondContact CE-O 3.35Å; K227-D230 WeakPolarHBondContact CE-OD1 3.41Å; K227-D230 IonicContact NZ-OD1 2.63Å; K227-D230 PolarHBondContact NZ-OD1 3.2Å; K227-T231 CarbonylContact C-O 3.59Å; K227-T231 VanDerWaalsContact CA-O 3.32Å; K227-T231 WeakPolarHBondContact CA-O 3.18Å; K227-E232 HydrophobicContact CD-CG 4.29Å; K227-E232 HydrophobicContact CG-CG 4.36Å |
| 228 | V | 80.4 | Confident | 79.1 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131 | -175.6 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | L182 Y186 D230 T231 L233 | L182-V228 HydrophobicContact CD2-CG1 4.13Å; L182-V228 HydrophobicContact CG-CG1 4.39Å; Y186-V228 HydrophobicContact CD1-CG2 3.57Å; Y186-V228 HydrophobicContact CD2-CG2 3.81Å; Y186-V228 HydrophobicContact CE1-CG2 3.69Å; Y186-V228 HydrophobicContact CE2-CG2 3.95Å; Y186-V228 HydrophobicContact CG-CG2 3.63Å; V228-D230 VanDerWaalsContact C-N 3.29Å; V228-D230 PolarHBondContact O-N 2.65Å; V228-T231 PolarHBondContact N-O 3.22Å; V228-T231 WeakPolarHBondContact O-CB 3.3Å; V228-T231 PolarHBondContact O-N 3.41Å; V228-L233 HydrophobicContact CB-CD1 4.08Å; V228-L233 HydrophobicContact CB-CG 4.42Å; V228-L233 HydrophobicContact CG2-CD1 3.63Å; V228-L233 HydrophobicContact CG2-CG 4.33Å |
| 229 | N | 71.5 | Confident | 79.2 | Confident | 95 Ų | 95 | 66 Ų | 66 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 50.4 | -177.4 | -61.6 | -17.3 | 0 | 0 | 0 | 112.7 | L182 T231 | L182-N229 WeakPolarHBondContact CD2-ND2 3.49Å; N229-T231 PolarHBondContact O-N 3.11Å; N229-T231 PolarHBondContact O-OG1 2.83Å |
| 230 | D | 69.6 | Low | 79.3 | Confident | 135 Ų | 135 | 68.8 Ų | 68.8 | 72% | 0.722 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 3.6 | -173 | -92.5 | -61.6 | 0 | 0 | 0 | 117.6 | K227 V228 | K227-D230 VanDerWaalsContact CE-C 3.49Å; K227-D230 VanDerWaalsContact CE-CA 3.42Å; K227-D230 VanDerWaalsContact CE-O 3.25Å; K227-D230 WeakPolarHBondContact CE-O 3.35Å; K227-D230 WeakPolarHBondContact CE-OD1 3.41Å; K227-D230 IonicContact NZ-OD1 2.63Å; K227-D230 PolarHBondContact NZ-OD1 3.2Å; V228-D230 VanDerWaalsContact C-N 3.29Å; V228-D230 PolarHBondContact O-N 2.65Å |
| 231 | T | 75.6 | Confident | 79.1 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 20% | 0.202 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.1 | 177.1 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | N173 K227 V228 N229 | N173-T231 VanDerWaalsContact O-CG2 3.3Å; N173-T231 WeakPolarHBondContact O-CG2 3.27Å; K227-T231 CarbonylContact C-O 3.59Å; K227-T231 VanDerWaalsContact CA-O 3.32Å; K227-T231 WeakPolarHBondContact CA-O 3.18Å; V228-T231 PolarHBondContact N-O 3.22Å; V228-T231 WeakPolarHBondContact O-CB 3.3Å; V228-T231 PolarHBondContact O-N 3.41Å; N229-T231 PolarHBondContact O-N 3.11Å; N229-T231 PolarHBondContact O-OG1 2.83Å |
| 232 | E | 83.3 | Confident | 78.7 | Confident | 139 Ų | 139 | 70.7 Ų | 70.7 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.7 | 174.3 | -68.6 | -177.8 | -178.2 | 0 | 0 | 110.3 | N173 H226 K227 | N173-E232 PolarHBondContact ND2-O 3.03Å; H226-E232 WeakPolarHBondContact O-CA 3.4Å; K227-E232 HydrophobicContact CD-CG 4.29Å; K227-E232 HydrophobicContact CG-CG 4.36Å |
| 233 | L | 83.8 | Confident | 78.3 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.1 | -178.8 | -60.7 | -174.1 | 0 | 0 | 0 | 110.3 | M174 L183 H226 V228 V235 | M174-L233 HydrophobicContact CB-CD2 4.43Å; M174-L233 HydrophobicContact CG-CD2 4.05Å; L183-L233 HydrophobicContact CD2-CD1 4.36Å; H226-L233 HydrophobicContact CB-CB 4.1Å; H226-L233 PolarHBondContact O-N 3.29Å; V228-L233 HydrophobicContact CB-CD1 4.08Å; V228-L233 HydrophobicContact CB-CG 4.42Å; V228-L233 HydrophobicContact CG2-CD1 3.63Å; V228-L233 HydrophobicContact CG2-CG 4.33Å; L233-V235 HydrophobicContact CB-CG2 4.28Å |
| 234 | V | 83.4 | Confident | 77.6 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.9 | 171.9 | 171.8 | 0 | 0 | 0 | 0 | 107.7 | E172 K236 | E172-V234 HydrophobicContact CB-CB 4.03Å; E172-V234 HydrophobicContact CB-CG1 4.33Å; E172-V234 PolarHBondContact N-O 3.43Å; E172-V234 PolarHBondContact O-N 3.28Å; V234-K236 HydrophobicContact CG1-CG 4.39Å |
| 235 | V | 84.3 | Confident | 76 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.2 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | V169 L170 L171 V221 L222 H226 L233 | V169-V235 HydrophobicContact CB-CG1 3.79Å; V169-V235 HydrophobicContact CG1-CG1 4.14Å; V169-V235 HydrophobicContact CG2-CG1 3.96Å; L170-V235 WeakPolarHBondContact O-CA 3.37Å; L171-V235 HydrophobicContact CD2-CB 4.39Å; L171-V235 HydrophobicContact CD2-CG1 3.99Å; L171-V235 HydrophobicContact CD2-CG2 3.73Å; V221-V235 HydrophobicContact CG1-CG1 4.19Å; L222-V235 HydrophobicContact CD2-CB 4.48Å; L222-V235 HydrophobicContact CD2-CG1 3.94Å; L222-V235 WeakPolarHBondContact CD2-O 3.45Å; H226-V235 HydrophobicContact CB-CG2 4.06Å; H226-V235 VanDerWaalsContact CD2-CG2 3.49Å; H226-V235 WeakPolarHBondContact CD2-CG2 3.3Å; L233-V235 HydrophobicContact CB-CG2 4.28Å |
| 236 | K | 82.6 | Confident | 74.2 | Confident | 88 Ų | 88 | 62.6 Ų | 62.6 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 157.6 | -179.3 | -60.7 | 177.5 | -169.5 | 163.8 | 0 | 110.6 | V169 L170 E172 V234 Y238 | V169-K236 CarbonylContact C-O 3.6Å; V169-K236 VanDerWaalsContact CA-O 3.25Å; V169-K236 WeakPolarHBondContact CA-O 3.16Å; V169-K236 WeakPolarHBondContact CB-O 3.28Å; L170-K236 HydrophobicContact CB-CB 4.44Å; L170-K236 PolarHBondContact N-O 2.99Å; L170-K236 PolarHBondContact O-N 3.36Å; E172-K236 WeakPolarHBondContact OE1-CD 3.36Å; E172-K236 WeakPolarHBondContact OE1-CE 3.43Å; E172-K236 IonicContact OE1-NZ 2.72Å; E172-K236 PolarHBondContact OE1-NZ 3.31Å; E172-K236 VanDerWaalsContact OE2-CE 3.3Å; E172-K236 WeakPolarHBondContact OE2-CE 3.45Å; E172-K236 IonicContact OE2-NZ 3.91Å; E172-K236 PolarHBondContact OE2-NZ 3.47Å; V234-K236 HydrophobicContact CG1-CG 4.39Å; K236-Y238 PolarHBondContact O-N 2.83Å |
| 237 | A | 82.1 | Confident | 71.8 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 126.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | T166 L222 F239 | T166-A237 HydrophobicContact CG2-CB 4.04Å; L222-A237 HydrophobicContact CD1-CB 3.98Å; A237-F239 HydrophobicContact CB-CD2 4.45Å; A237-F239 HydrophobicContact CB-CE2 3.71Å; A237-F239 HydrophobicContact CB-CZ 4.33Å |
| 238 | Y | 80.5 | Confident | 69.4 | Low | 14 Ų | 14 | 74 Ų | 74 | 6% | 0.055 | 40% | 0.404 | C | S | . | . | trans | -91.5 | 133.1 | -179.9 | 175.6 | -77.2 | 0 | 0 | 0 | 110.3 | T166 S168 L170 L203 K209 K236 D240 Q243 | T166-Y238 VanDerWaalsContact CB-O 3.31Å; T166-Y238 WeakPolarHBondContact CB-O 3.33Å; T166-Y238 WeakPolarHBondContact CG2-O 3.48Å; T166-Y238 PolarHBondContact OG1-O 3Å; S168-Y238 PolarHBondContact O-N 3.34Å; L170-Y238 HydrophobicContact CB-CD2 4.07Å; L170-Y238 HydrophobicContact CD1-CD2 4.22Å; L203-Y238 HydrophobicContact CD1-CE2 3.99Å; K209-Y238 HydrophobicContact CB-CD2 4.39Å; K209-Y238 HydrophobicContact CB-CE2 4.4Å; K209-Y238 HydrophobicContact CD-CD1 3.95Å; K209-Y238 HydrophobicContact CD-CD2 4.39Å; K209-Y238 HydrophobicContact CD-CE1 3.63Å; K209-Y238 HydrophobicContact CD-CE2 4.06Å; K209-Y238 HydrophobicContact CD-CG 4.35Å; K209-Y238 HydrophobicContact CG-CD1 4.13Å; K209-Y238 HydrophobicContact CG-CD2 4.14Å; K209-Y238 HydrophobicContact CG-CE1 4.27Å; K209-Y238 HydrophobicContact CG-CE2 4.25Å; K209-Y238 HydrophobicContact CG-CG 4.1Å; K236-Y238 PolarHBondContact O-N 2.83Å; Y238-D240 HydrophobicContact CE1-CB 4.28Å; Y238-D240 VanDerWaalsContact CE1-CG 3.43Å; Y238-D240 WeakPolarHBondContact CE1-OD1 3.41Å; Y238-D240 PolarHBondContact OH-OD1 3.46Å; Y238-Q243 HydrophobicContact CE2-CG 3.69Å | ||
| 239 | F | 81 | Confident | 66.8 | Low | 14 Ų | 14 | 78.2 Ų | 78.2 | 6% | 0.061 | 43% | 0.434 | C | S | . | . | trans | -136.3 | 130.5 | 170.4 | -61.3 | -82.7 | 0 | 0 | 0 | 108.1 | L130 I163 T166 A237 F241 L242 Q243 | L130-F239 HydrophobicContact CD2-CD2 4.29Å; L130-F239 HydrophobicContact CD2-CE2 4.17Å; I163-F239 HydrophobicContact CD1-CD1 4.22Å; I163-F239 HydrophobicContact CD1-CE1 3.5Å; I163-F239 HydrophobicContact CD1-CE2 4.03Å; I163-F239 HydrophobicContact CD1-CZ 3.39Å; I163-F239 HydrophobicContact CG1-CE1 4.38Å; I163-F239 HydrophobicContact CG1-CZ 4.47Å; T166-F239 HydrophobicContact CG2-CE1 3.88Å; T166-F239 HydrophobicContact CG2-CE2 4.24Å; T166-F239 HydrophobicContact CG2-CZ 3.72Å; A237-F239 HydrophobicContact CB-CD2 4.45Å; A237-F239 HydrophobicContact CB-CE2 3.71Å; A237-F239 HydrophobicContact CB-CZ 4.33Å; F239-F241 HydrophobicContact CB-CD1 3.98Å; F239-F241 HydrophobicContact CB-CD2 4.5Å; F239-F241 HydrophobicContact CB-CE1 3.65Å; F239-F241 HydrophobicContact CB-CE2 4.2Å; F239-F241 HydrophobicContact CB-CG 4.39Å; F239-F241 HydrophobicContact CB-CZ 3.77Å; F239-F241 AromaticContact CD1-CE1 3.79Å; F239-F241 HydrophobicContact CD1-CE1 3.79Å; F239-F241 HydrophobicContact CD1-CZ 4Å; F239-F241 AromaticContact CG-CE1 3.93Å; F239-F241 HydrophobicContact CG-CE1 3.93Å; F239-F241 AromaticContact CG-CZ 3.86Å; F239-F241 HydrophobicContact CG-CZ 3.86Å; F239-F241 PolarHBondContact O-N 3.43Å; F239-L242 HydrophobicContact CB-CD1 4.28Å; F239-L242 HydrophobicContact CB-CG 4.23Å; F239-L242 HydrophobicContact CD2-CD1 4.04Å; F239-L242 PolarHBondContact O-N 3.08Å; F239-Q243 PolarHBondContact O-NE2 3.44Å | ||
| 240 | D | 72.8 | Confident | 64.8 | Low | 98 Ų | 98 | 79.4 Ų | 79.4 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -61 | -36.3 | -176.6 | -54.2 | -87.4 | 0 | 0 | 0 | 111.3 | K209 Y238 L242 Q243 | K209-D240 IonicContact NZ-OD1 3.62Å; K209-D240 PolarHBondContact NZ-OD1 2.94Å; K209-D240 IonicContact NZ-OD2 3.38Å; Y238-D240 HydrophobicContact CE1-CB 4.28Å; Y238-D240 VanDerWaalsContact CE1-CG 3.43Å; Y238-D240 WeakPolarHBondContact CE1-OD1 3.41Å; Y238-D240 PolarHBondContact OH-OD1 3.46Å; D240-L242 PolarHBondContact O-N 2.93Å; D240-L242 VanDerWaalsContact O-N 3.11Å; D240-Q243 PolarHBondContact O-N 3.44Å; D240-Q243 VanDerWaalsContact O-N 3.09Å |
| 241 | F | 73.3 | Confident | 62.7 | Low | 74 Ų | 74 | 79.3 Ų | 79.3 | 33% | 0.325 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -67.5 | -7.1 | 176.7 | 67.9 | -105.1 | 0 | 0 | 0 | 115.4 | L90 F128 I163 F239 | L90-F241 HydrophobicContact CD1-CE2 4.04Å; L90-F241 HydrophobicContact CD2-CE2 4.49Å; F128-F241 HydrophobicContact CD2-CD2 4.45Å; F128-F241 AromaticContact CE2-CD2 3.79Å; F128-F241 HydrophobicContact CE2-CD2 3.79Å; F128-F241 VanDerWaalsContact CE2-O 3.27Å; F128-F241 WeakPolarHBondContact CE2-O 3.37Å; F128-F241 VanDerWaalsContact CZ-O 3.26Å; F128-F241 WeakPolarHBondContact CZ-O 3.42Å; I163-F241 HydrophobicContact CD1-CZ 4.42Å; I163-F241 HydrophobicContact CG2-CZ 4.38Å; F239-F241 HydrophobicContact CB-CD1 3.98Å; F239-F241 HydrophobicContact CB-CD2 4.5Å; F239-F241 HydrophobicContact CB-CE1 3.65Å; F239-F241 HydrophobicContact CB-CE2 4.2Å; F239-F241 HydrophobicContact CB-CG 4.39Å; F239-F241 HydrophobicContact CB-CZ 3.77Å; F239-F241 AromaticContact CD1-CE1 3.79Å; F239-F241 HydrophobicContact CD1-CE1 3.79Å; F239-F241 HydrophobicContact CD1-CZ 4Å; F239-F241 AromaticContact CG-CE1 3.93Å; F239-F241 HydrophobicContact CG-CE1 3.93Å; F239-F241 AromaticContact CG-CZ 3.86Å; F239-F241 HydrophobicContact CG-CZ 3.86Å; F239-F241 PolarHBondContact O-N 3.43Å |
| 242 | L | 72.8 | Confident | 60.4 | Low | 26 Ų | 26 | 86.1 Ų | 86.1 | 14% | 0.136 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -97.5 | -10.4 | 172.9 | -68.9 | -179.3 | 0 | 0 | 0 | 113.3 | I121 F128 L130 F239 D240 | I121-L242 HydrophobicContact CG2-CD1 4.31Å; I121-L242 HydrophobicContact CG2-CD2 4.5Å; F128-L242 HydrophobicContact CE2-CD2 4.41Å; L130-L242 HydrophobicContact CB-CD2 4.42Å; L130-L242 HydrophobicContact CD2-CD1 3.84Å; F239-L242 HydrophobicContact CB-CD1 4.28Å; F239-L242 HydrophobicContact CB-CG 4.23Å; F239-L242 HydrophobicContact CD2-CD1 4.04Å; F239-L242 PolarHBondContact O-N 3.08Å; D240-L242 PolarHBondContact O-N 2.93Å; D240-L242 VanDerWaalsContact O-N 3.11Å |
| 243 | Q | 71.5 | Confident | 57.8 | Low | 55 Ų | 55 | 84.4 Ų | 84.4 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -77.2 | 148.3 | 177 | -54 | -45.5 | -63.7 | 0 | 0 | 109.9 | Y238 F239 D240 | Y238-Q243 HydrophobicContact CE2-CG 3.69Å; F239-Q243 PolarHBondContact O-NE2 3.44Å; D240-Q243 PolarHBondContact O-N 3.44Å; D240-Q243 VanDerWaalsContact O-N 3.09Å |
| 244 | P | 59.2 | Low | 55 | Low | 85 Ų | 85 | 92.6 Ų | 92.6 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | trans | -61.1 | 144.8 | 163.9 | 29.2 | -34.4 | 0 | 0 | 0 | 108.9 | P124 T246 | P124-P244 HydrophobicContact CG-CB 4.44Å; P244-T246 PolarHBondContact O-N 3.28Å | ||
| 245 | A | 45.3 | Very low | 52.2 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 79% | 0.793 | 54% | 0.535 | S | S | * | . | trans | -62.9 | 97.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 246 | T | 40.1 | Very low | 49.6 | Very low | 116 Ų | 116 | 99.6 Ų | 99.6 | 71% | 0.712 | 56% | 0.557 | S | S | * | * | trans | -60.6 | 140.2 | 163.7 | 27.4 | 0 | 0 | 0 | 0 | 109.2 | P244 D248 | P244-T246 PolarHBondContact O-N 3.28Å; T246-D248 PolarHBondContact O-N 3.29Å | ||
| 247 | Q | 34.1 | Very low | 46.9 | Very low | 197 Ų | 197 | 100.7 Ų | 100.7 | 92% | 0.921 | 57% | 0.571 | S | S | * | * | trans | -66.7 | 103.3 | 174 | -70.6 | -179 | -38 | 0 | 0 | 109 | S249 | Q247-S249 PolarHBondContact O-N 2.92Å; Q247-S249 VanDerWaalsContact O-N 3.16Å | ||
| 248 | D | 29.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 106.5 Ų | 106.5 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | trans | -60.4 | 118.4 | 176.6 | -88.1 | -37.2 | 0 | 0 | 0 | 110.2 | T246 V250 | T246-D248 PolarHBondContact O-N 3.29Å; D248-V250 PolarHBondContact O-N 2.99Å | ||
| 249 | S | 25.8 | Very low | 41.6 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | trans | -67.1 | 100.6 | 169.4 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | Q247 T251 | Q247-S249 PolarHBondContact O-N 2.92Å; Q247-S249 VanDerWaalsContact O-N 3.16Å; S249-T251 PolarHBondContact O-N 3.38Å; S249-T251 PolarHBondContact O-OG1 3.01Å | ||
| 250 | V | 29.5 | Very low | 39 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -49.4 | 108.9 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | D248 E252 | D248-V250 PolarHBondContact O-N 2.99Å; V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 HydrophobicContact CG1-CB 4.24Å; V250-E252 HydrophobicContact CG1-CG 3.77Å; V250-E252 PolarHBondContact O-N 2.97Å | ||
| 251 | T | 26.7 | Very low | 36.8 | Very low | 133 Ų | 133 | 117.5 Ų | 117.5 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -93.3 | 67.4 | 176.2 | -53.4 | 0 | 0 | 0 | 0 | 108.8 | S249 | S249-T251 PolarHBondContact O-N 3.38Å; S249-T251 PolarHBondContact O-OG1 3.01Å | ||
| 252 | E | 27.8 | Very low | 34.6 | Very low | 177 Ų | 177 | 119.6 Ų | 119.6 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | -76.6 | 142.8 | 164.5 | -84.8 | -175.1 | 157 | 0 | 0 | 110 | V250 | V250-E252 VanDerWaalsContact C-N 3.3Å; V250-E252 HydrophobicContact CG1-CB 4.24Å; V250-E252 HydrophobicContact CG1-CG 3.77Å; V250-E252 PolarHBondContact O-N 2.97Å | ||
| 253 | S | 26.9 | Very low | 32.4 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | -116.4 | 103.4 | -176.5 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 254 | Q | 26.7 | Very low | 30.3 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | 71.8 | 145.7 | 165.3 | -54.6 | 174.6 | -28.4 | 0 | 0 | 114.6 | ||||
| 255 | D | 24.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | -155.6 | 165.1 | 6.2 | -145.3 | 16.8 | 0 | 0 | 0 | 107.6 | ||||
| 256 | V | 28.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | cis | -153.1 | 176.1 | 19.3 | -149.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 257 | T | 26.4 | Very low | 27.1 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | trans | 68.1 | 110.1 | 154.3 | 49.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 258 | D | 25.6 | Very low | 26.7 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | 31.6 | 137 | 118.2 | -46.7 | -26.9 | 0 | 0 | 0 | 119 | |||||
| 259 | T | 26.6 | Very low | 26.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | cis | -163.2 | 152.7 | 37.4 | -25.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 260 | D | 26 | Very low | 26.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 38.6 | 105.9 | 152.2 | -85.8 | -52.2 | 0 | 0 | 0 | 123.3 | ||||
| 261 | S | 26.2 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | 70.8 | 153.6 | 105.5 | -56.2 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 262 | V | 27.7 | Very low | 26.6 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | trans | 95.4 | 95.9 | 156.6 | -171.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 263 | E | 25.8 | Very low | 27.3 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | 58.1 | 159.7 | 125.5 | -61.5 | -179.6 | 178 | 0 | 0 | 121.9 | |||||
| 264 | V | 27 | Very low | 27.5 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | cis | -168 | 164.9 | -16.4 | 135.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 265 | E | 25.9 | Very low | 28.2 | Very low | 164 Ų | 164 | 131 Ų | 131 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | 72.1 | 110.8 | 158.6 | -89.7 | 161.4 | -151.7 | 0 | 0 | 123.3 | ||||
| 266 | N | 25.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 63.4 | 129.4 | 108.4 | -75.6 | -8.3 | 0 | 0 | 0 | 124.7 | |||||
| 267 | V | 27.4 | Very low | 28.4 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 95.4 | 125.7 | 123.3 | 164.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 268 | D | 24.8 | Very low | 28.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 66.5 | 130.5 | 150.8 | -81 | -29.1 | 0 | 0 | 0 | 126.1 | ||||
| 269 | M | 27 | Very low | 28.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 62.2 | 136.9 | 132 | -67.2 | -150.4 | -167.4 | 0 | 0 | 125.1 | ||||
| 270 | Q | 26.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 76.1 | 116.3 | 136.1 | -78.8 | -178.7 | -13.7 | 0 | 0 | 122.4 | ||||
| 271 | T | 24.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 76.8 | 148.4 | 135.5 | 57.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 272 | S | 33 | Very low | 31 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -51.5 | 164.9 | 174.3 | -34.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 273 | P | 41.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | -153.2 | -163.6 | 39.4 | 43.4 | -19.9 | 0 | 0 | 0 | 118.4 | ||||
| 274 | L | 31.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -43.5 | 159.1 | 162.6 | -67.9 | 168.2 | 0 | 0 | 0 | 114 | ||||
| 275 | P | 41.8 | Very low | 31.6 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | -163.4 | 154.9 | 59.7 | 44.4 | -21.4 | 0 | 0 | 0 | 122.9 | |||||
| 276 | V | 28.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | 71 | 142.6 | 127.3 | 174.8 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 277 | D | 27.4 | Very low | 32.1 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | 65.8 | 124.4 | 159.4 | -72.4 | -16.2 | 0 | 0 | 0 | 124 | ||||
| 278 | A | 26.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 178.9 | 146.2 | 85.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 279 | E | 31.5 | Very low | 32.1 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -96 | 163.7 | 162 | -65.3 | -163.4 | 142.7 | 0 | 0 | 111.6 | ||||
| 280 | P | 38 | Very low | 32.1 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | -150.4 | 171.3 | 95.9 | 38.5 | -20.6 | 0 | 0 | 0 | 116.7 | |||||
| 281 | S | 32.3 | Very low | 32 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -137.2 | -174.7 | 175.6 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 282 | P | 58.3 | Low | 32.3 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | cis | -120.4 | -159.9 | -18.3 | 40.3 | -21.9 | 0 | 0 | 0 | 111.2 | ||||
| 283 | P | 43.4 | Very low | 32.9 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | -159.2 | 156.9 | 80.8 | 41.7 | -20.1 | 0 | 0 | 0 | 120.2 | |||||
| 284 | A | 25.5 | Very low | 32.6 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 43.3 | 140.5 | 140.5 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 285 | G | 24 | Very low | 32.3 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 142.5 | 86.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 286 | T | 28.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -72 | 162.1 | 173.4 | 44.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 287 | P | 34.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -135.1 | 163.7 | 108.7 | 38.7 | -30.7 | 0 | 0 | 0 | 115 | |||||
| 288 | H | 27.2 | Very low | 31.7 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 144 | -177.8 | -65.9 | -96.6 | 0 | 0 | 0 | 114.4 | ||||
| 289 | R | 24.4 | Very low | 31.7 | Very low | 233 Ų | 233 | 128.3 Ų | 128.3 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | -150 | 116 | 120.5 | -169.1 | 168.8 | -177.9 | 166.6 | -0.9 | 110.6 | |||||
| 290 | S | 26 | Very low | 31.6 | Very low | 92 Ų | 92 | 128.2 Ų | 128.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -78.9 | 146 | 170.1 | 37.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 291 | Q | 24.7 | Very low | 31.1 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | -170.9 | 85.1 | 121.3 | -101.8 | 173.5 | -43 | 0 | 0 | 113.2 | |||||
| 292 | E | 30.7 | Very low | 30.7 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | -54.6 | 175.5 | 123.5 | -116.1 | -163 | 167.7 | 0 | 0 | 111.1 | |||||
| 293 | P | 45.9 | Very low | 29.1 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | cis | -119 | -111.4 | -33.4 | 20.6 | 4.7 | 0 | 0 | 0 | 106.6 | ||||
| 294 | P | 34.9 | Very low | 28.5 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | cis | -137 | -170.9 | -34.8 | 38.3 | -18.6 | 0 | 0 | 0 | 116.1 | ||||
| 295 | A | 25.5 | Very low | 28.4 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | trans | 83.2 | 147.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 296 | A | 29.8 | Very low | 28.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | cis | 83.3 | 159.4 | 14.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 297 | N | 26.3 | Very low | 29.2 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 76.5 | 167.4 | -172.1 | -46.9 | -46 | 0 | 0 | 0 | 112.8 | ||||
| 298 | V | 27.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | cis | -145.4 | 127.9 | 31.2 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 299 | V | 28.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | 64.3 | 125.4 | 76.2 | -179.6 | 0 | 0 | 0 | 0 | 113.1 | V301 | V299-V301 HydrophobicContact CG1-CG2 4.44Š| |||
| 300 | E | 27.6 | Very low | 30.2 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -163.4 | 137.5 | 101.6 | -93.5 | -178.2 | 170.9 | 0 | 0 | 110.5 | |||||
| 301 | V | 27.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | 71.1 | 135.8 | 79.4 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | V299 | V299-V301 HydrophobicContact CG1-CG2 4.44Š| |||
| 302 | E | 25.4 | Very low | 31.4 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | cis | -126.1 | -169.9 | 11.1 | -144 | 144.2 | -130.8 | 0 | 0 | 109.5 | ||||
| 303 | E | 24 | Very low | 32 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | cis | -145.3 | -104.2 | 9.2 | -170.3 | -140.1 | 130.1 | 0 | 0 | 112.8 | ||||
| 304 | A | 30 | Very low | 32 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | trans | -139.2 | 173.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 305 | V | 25.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | -161.7 | 142 | 51.8 | 168.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 306 | M | 27.8 | Very low | 34.4 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 64.7 | 121.5 | 159.3 | -73.3 | 161.6 | -169.4 | 0 | 0 | 123.2 | ||||
| 307 | E | 39.8 | Very low | 36.2 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | 27 | 128.9 | 125.8 | -56.2 | -177.6 | 133.3 | 0 | 0 | 121.4 | |||||
| 308 | D | 27.4 | Very low | 38.3 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | -155.2 | 167.8 | 98 | -153.3 | -6.6 | 0 | 0 | 0 | 111.5 | |||||
| 309 | Q | 46 | Very low | 40.2 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | trans | -102.1 | 137.5 | -176.6 | -57.5 | 175.2 | 11.8 | 0 | 0 | 112.2 | ||||
| 310 | T | 33.3 | Very low | 42.1 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 91% | 0.914 | 67% | 0.666 | S | S | * | * | trans | -144.4 | 151.6 | 156 | 22.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 311 | V | 37.7 | Very low | 43.5 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | trans | -106.4 | 135.9 | -169.2 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 312 | E | 38.1 | Very low | 45.2 | Very low | 185 Ų | 185 | 117 Ų | 117 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -70.5 | 153.9 | 176.9 | -62.8 | -175.6 | 121.6 | 0 | 0 | 113 | ||||
| 313 | I | 43.1 | Very low | 46.6 | Very low | 163 Ų | 163 | 115.4 Ų | 115.4 | 84% | 0.836 | 63% | 0.631 | S | S | * | * | trans | -124.6 | 112.5 | 169.7 | -60 | 177.5 | 0 | 0 | 0 | 107.6 | A315 | I313-A315 PolarHBondContact O-N 3.4Š| ||
| 314 | E | 45.9 | Very low | 48.3 | Very low | 166 Ų | 166 | 108.9 Ų | 108.9 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.4 | 176.4 | -67.5 | -171.9 | 132.7 | 0 | 0 | 111.5 | ||
| 315 | A | 50.4 | Low | 49.8 | Very low | 83 Ų | 83 | 114.1 Ų | 114.1 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 129.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | I313 | I313-A315 PolarHBondContact O-N 3.4Š|
| 316 | H | 62.4 | Low | 51.5 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 32% | 0.315 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 138 | 178.7 | -62 | -30.4 | 0 | 0 | 0 | 111.6 | S359 G360 L366 | H316-S359 WeakPolarHBondContact O-CA 3.33Å; H316-G360 PolarHBondContact N-O 3.11Å; H316-G360 PolarHBondContact O-N 2.77Å; H316-G360 VanDerWaalsContact O-O 3.11Å; H316-L366 HydrophobicContact CB-CD2 4.23Å |
| 317 | S | 67.5 | Low | 53.3 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 42% | 0.42 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.8 | 157.9 | 172.8 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | V358 | S317-V358 CarbonylContact C-O 3.6Å; S317-V358 VanDerWaalsContact CA-O 3.27Å; S317-V358 WeakPolarHBondContact CA-O 3.45Å |
| 318 | C | 68.9 | Low | 54.5 | Low | 14 Ų | 14 | 96.2 Ų | 96.2 | 10% | 0.095 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.6 | 164.5 | 76.5 | 0 | 0 | 0 | 0 | 110.7 | V358 L366 | C318-V358 PolarHBondContact N-O 2.92Å; C318-V358 PolarHBondContact O-N 3.43Å; C318-L366 HydrophobicContact CB-CD1 4.42Å; C318-L366 HydrophobicContact CB-CD2 4.08Å; C318-L366 HydrophobicContact CB-CG 4.16Å |
| 319 | H | 67.9 | Low | 56 | Low | 112 Ų | 112 | 90.3 Ų | 90.3 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.5 | 179 | -56.4 | -107.7 | 0 | 0 | 0 | 108.7 | P321 H357 | H319-P321 WeakPolarHBondContact O-CD 3.28Å; H319-H357 AromaticContact CE1-CD2 3.4Å; H319-H357 PolarHBondContact CE1-CD2 2.9Å; H319-H357 VanDerWaalsContact CE1-CD2 3.4Å; H319-H357 AromaticContact CE1-NE2 3.89Å; H319-H357 AromaticContact ND1-CD2 3.71Å; H319-H357 AromaticContact NE2-CD2 3.99Å |
| 320 | I | 68.3 | Low | 57.1 | Low | 14 Ų | 14 | 83.1 Ų | 83.1 | 7% | 0.072 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 104.3 | 172.4 | -53.4 | 174.6 | 0 | 0 | 0 | 106.8 | V322 T355 V356 K370 I373 F377 | I320-V322 HydrophobicContact CG2-CG2 4.4Å; I320-V322 PolarHBondContact O-N 2.91Å; I320-T355 WeakPolarHBondContact O-CA 3.25Å; I320-V356 HydrophobicContact CB-CB 4.27Å; I320-V356 PolarHBondContact N-O 2.8Å; I320-V356 PolarHBondContact O-N 2.87Å; I320-K370 HydrophobicContact CD1-CB 4.29Å; I320-K370 HydrophobicContact CD1-CG 4.19Å; I320-K370 HydrophobicContact CG1-CG 4.2Å; I320-I373 HydrophobicContact CD1-CB 3.87Å; I320-I373 HydrophobicContact CD1-CD1 4.04Å; I320-I373 HydrophobicContact CD1-CG2 3.67Å; I320-F377 HydrophobicContact CG2-CE2 4.46Å |
| 321 | P | 58.2 | Low | 58.5 | Low | 96 Ų | 96 | 76 Ų | 76 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.1 | 176 | 28.8 | -32.6 | 0 | 0 | 0 | 109.5 | H319 | H319-P321 WeakPolarHBondContact O-CD 3.28Å |
| 322 | V | 62.4 | Low | 59.8 | Low | 12 Ų | 12 | 76.6 Ų | 76.6 | 7% | 0.073 | 39% | 0.394 | C | S | . | . | trans | -107.7 | 86.4 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | I320 D324 K327 L328 D354 V356 F377 | I320-V322 HydrophobicContact CG2-CG2 4.4Å; I320-V322 PolarHBondContact O-N 2.91Å; V322-D324 WeakPolarHBondContact CG1-O 3.21Å; V322-D324 PolarHBondContact O-N 3.5Å; V322-K327 HydrophobicContact CG1-CB 4.28Å; V322-L328 HydrophobicContact CB-CB 4.43Å; V322-L328 HydrophobicContact CB-CD1 4.16Å; V322-L328 HydrophobicContact CG1-CB 4.01Å; V322-D354 PolarHBondContact N-O 2.83Å; V322-V356 HydrophobicContact CG2-CG2 4.05Å; V322-F377 HydrophobicContact CG1-CE1 4.22Å; V322-F377 HydrophobicContact CG1-CE2 4.48Å; V322-F377 HydrophobicContact CG1-CZ 4.14Å; V322-F377 HydrophobicContact CG2-CD2 4.4Å; V322-F377 HydrophobicContact CG2-CE2 3.6Å; V322-F377 HydrophobicContact CG2-CZ 3.72Å | ||
| 323 | T | 53.4 | Low | 60.8 | Low | 147 Ų | 147 | 74.6 Ų | 74.6 | 90% | 0.902 | 38% | 0.383 | S | S | * | . | trans | -64 | 0.5 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 324 | D | 60.5 | Low | 61.6 | Low | 29 Ų | 29 | 69.1 Ų | 69.1 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -123.2 | 100 | -176.5 | 178.9 | -22 | 0 | 0 | 0 | 109 | V322 I326 K327 L328 | V322-D324 WeakPolarHBondContact CG1-O 3.21Å; V322-D324 PolarHBondContact O-N 3.5Å; D324-I326 PolarHBondContact O-N 2.82Å; D324-I326 VanDerWaalsContact O-N 3.16Å; D324-I326 WeakPolarHBondContact OD1-CA 3.37Å; D324-I326 VanDerWaalsContact OD1-CB 3.24Å; D324-I326 WeakPolarHBondContact OD1-CB 3.45Å; D324-I326 WeakPolarHBondContact OD1-CG1 3.42Å; D324-I326 PolarHBondContact OD1-N 3.11Å; D324-K327 HydrophobicContact CB-CB 4.15Å; D324-K327 HydrophobicContact CB-CD 4.02Å; D324-K327 HydrophobicContact CB-CG 4.2Å; D324-K327 PolarHBondContact O-N 3.16Å; D324-K327 VanDerWaalsContact O-N 3.16Å; D324-K327 PolarHBondContact OD1-N 2.8Å; D324-K327 WeakPolarHBondContact OD2-CD 3.47Å; D324-K327 WeakPolarHBondContact OD2-CE 3.31Å; D324-K327 VanDerWaalsContact OD2-CG 3.31Å; D324-K327 WeakPolarHBondContact OD2-CG 3.37Å; D324-K327 IonicContact OD2-NZ 2.87Å; D324-L328 PolarHBondContact O-N 3.08Å; D324-L328 VanDerWaalsContact O-N 3.1Å | ||
| 325 | R | 61 | Low | 62.2 | Low | 186 Ų | 186 | 65.8 Ų | 65.8 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.9 | -25.8 | 179.7 | -74.2 | -177.6 | 164.3 | 170.8 | -2.1 | 113.2 | A329 D354 | R325-A329 WeakPolarHBondContact O-CB 3.32Å; R325-A329 PolarHBondContact O-N 2.93Å; R325-D354 IonicContact CZ-OD2 2.69Å; R325-D354 VanDerWaalsContact CZ-OD2 3.3Å; R325-D354 IonicContact NE-OD2 2.71Å; R325-D354 PolarHBondContact NE-OD2 3.46Å; R325-D354 IonicContact NH2-OD2 3.65Å; R325-D354 PolarHBondContact NH2-OD2 3.06Å |
| 326 | I | 62.2 | Low | 62.8 | Low | 18 Ų | 18 | 63.8 Ų | 63.8 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.9 | -44.3 | 179.7 | -39.1 | 176.4 | 0 | 0 | 0 | 109.5 | D324 L328 A329 W330 L416 V418 S425 T427 | D324-I326 PolarHBondContact O-N 2.82Å; D324-I326 VanDerWaalsContact O-N 3.16Å; D324-I326 WeakPolarHBondContact OD1-CA 3.37Å; D324-I326 VanDerWaalsContact OD1-CB 3.24Å; D324-I326 WeakPolarHBondContact OD1-CB 3.45Å; D324-I326 WeakPolarHBondContact OD1-CG1 3.42Å; D324-I326 PolarHBondContact OD1-N 3.11Å; I326-L328 VanDerWaalsContact C-N 3.35Å; I326-A329 PolarHBondContact O-N 3.07Å; I326-W330 PolarHBondContact O-N 2.87Å; I326-L416 HydrophobicContact CG2-CD2 4.13Å; I326-V418 HydrophobicContact CD1-CB 4.06Å; I326-V418 HydrophobicContact CD1-CG2 4.42Å; I326-V418 HydrophobicContact CG1-CB 4.13Å; I326-V418 HydrophobicContact CG1-CG2 4Å; I326-V418 HydrophobicContact CG2-CG2 4.09Å; I326-S425 WeakPolarHBondContact CD1-OG 3.26Å; I326-T427 HydrophobicContact CB-CG2 4.26Å; I326-T427 HydrophobicContact CG2-CG2 3.68Å; I326-T427 VanDerWaalsContact CG2-OG1 3.29Å; I326-T427 WeakPolarHBondContact CG2-OG1 3.22Å |
| 327 | K | 65.9 | Low | 62.8 | Low | 52 Ų | 52 | 63.4 Ų | 63.4 | 23% | 0.226 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 173.3 | -72.6 | 178.1 | -171.2 | 173.5 | 0 | 112.1 | V322 D324 W330 Y331 F377 I380 | V322-K327 HydrophobicContact CG1-CB 4.28Å; D324-K327 HydrophobicContact CB-CB 4.15Å; D324-K327 HydrophobicContact CB-CD 4.02Å; D324-K327 HydrophobicContact CB-CG 4.2Å; D324-K327 PolarHBondContact O-N 3.16Å; D324-K327 VanDerWaalsContact O-N 3.16Å; D324-K327 PolarHBondContact OD1-N 2.8Å; D324-K327 WeakPolarHBondContact OD2-CD 3.47Å; D324-K327 WeakPolarHBondContact OD2-CE 3.31Å; D324-K327 VanDerWaalsContact OD2-CG 3.31Å; D324-K327 WeakPolarHBondContact OD2-CG 3.37Å; D324-K327 IonicContact OD2-NZ 2.87Å; K327-W330 WeakPolarHBondContact O-CB 3.44Å; K327-W330 PolarHBondContact O-N 2.85Å; K327-Y331 PolarHBondContact O-N 3.37Å; K327-F377 HydrophobicContact CB-CD1 3.86Å; K327-F377 HydrophobicContact CB-CE1 4.12Å; K327-I380 HydrophobicContact CB-CD1 4.2Å; K327-I380 HydrophobicContact CG-CB 4.47Å; K327-I380 HydrophobicContact CG-CD1 3.96Å; K327-I380 HydrophobicContact CG-CG2 4.29Å |
| 328 | L | 63.6 | Low | 62.6 | Low | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 174.9 | -169.2 | 148.7 | 0 | 0 | 0 | 112 | V322 D324 I326 W330 Y331 R332 I351 D354 | V322-L328 HydrophobicContact CB-CB 4.43Å; V322-L328 HydrophobicContact CB-CD1 4.16Å; V322-L328 HydrophobicContact CG1-CB 4.01Å; D324-L328 PolarHBondContact O-N 3.08Å; D324-L328 VanDerWaalsContact O-N 3.1Å; I326-L328 VanDerWaalsContact C-N 3.35Å; L328-W330 VanDerWaalsContact C-N 3.34Å; L328-Y331 PolarHBondContact O-N 2.87Å; L328-R332 HydrophobicContact CD2-CG 4.3Å; L328-R332 VanDerWaalsContact CD2-CZ 3.47Å; L328-R332 PolarHBondContact O-N 3.05Å; L328-I351 HydrophobicContact CD1-CG2 4.15Å; L328-I351 HydrophobicContact CD2-CG2 4.26Å; L328-I351 HydrophobicContact CG-CG2 4.43Å; L328-D354 HydrophobicContact CD1-CB 4.29Å |
| 329 | A | 60.2 | Low | 62.4 | Low | 35 Ų | 35 | 68.8 Ų | 68.8 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R325 I326 R332 K333 L416 | R325-A329 WeakPolarHBondContact O-CB 3.32Å; R325-A329 PolarHBondContact O-N 2.93Å; I326-A329 PolarHBondContact O-N 3.07Å; A329-R332 PolarHBondContact O-N 2.82Å; A329-K333 PolarHBondContact O-N 2.92Å; A329-K333 VanDerWaalsContact O-N 3.09Å; A329-L416 HydrophobicContact CB-CD2 3.61Å |
| 330 | W | 68.1 | Low | 62.3 | Low | 15 Ų | 15 | 64 Ų | 64 | 6% | 0.057 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 174.3 | -143.6 | 93.2 | 0 | 0 | 0 | 111.8 | I326 K327 L328 K333 N334 F376 I380 L429 | I326-W330 PolarHBondContact O-N 2.87Å; K327-W330 WeakPolarHBondContact O-CB 3.44Å; K327-W330 PolarHBondContact O-N 2.85Å; L328-W330 VanDerWaalsContact C-N 3.34Å; W330-K333 PolarHBondContact O-N 2.74Å; W330-N334 VanDerWaalsContact CH2-CG 3.47Å; W330-N334 WeakPolarHBondContact CH2-ND2 3.47Å; W330-N334 WeakPolarHBondContact CH2-OD1 3.22Å; W330-N334 HydrophobicContact CZ3-CB 4.27Å; W330-N334 WeakPolarHBondContact CZ3-ND2 3.43Å; W330-N334 WeakPolarHBondContact CZ3-OD1 3.31Å; W330-N334 PolarHBondContact O-N 2.67Å; W330-N334 PolarHBondContact O-ND2 3.31Å; W330-F376 HydrophobicContact CE3-CE1 4.42Å; W330-F376 HydrophobicContact CE3-CE2 4.09Å; W330-F376 AromaticContact CE3-CZ 3.51Å; W330-F376 HydrophobicContact CE3-CZ 3.51Å; W330-F376 AromaticContact CZ3-CE2 3.75Å; W330-F376 HydrophobicContact CZ3-CE2 3.75Å; W330-F376 AromaticContact CZ3-CZ 3.58Å; W330-F376 HydrophobicContact CZ3-CZ 3.58Å; W330-I380 HydrophobicContact CB-CD1 4.06Å; W330-I380 HydrophobicContact CD2-CD1 4.36Å; W330-I380 HydrophobicContact CE3-CD1 4.13Å; W330-I380 HydrophobicContact CE3-CG1 4.31Å; W330-I380 HydrophobicContact CG-CD1 4.31Å; W330-L429 HydrophobicContact CE3-CD2 4.46Å; W330-L429 HydrophobicContact CH2-CD1 3.43Å; W330-L429 VanDerWaalsContact CH2-CD1 3.43Å; W330-L429 HydrophobicContact CH2-CD2 3.92Å; W330-L429 HydrophobicContact CH2-CG 3.33Å; W330-L429 HydrophobicContact CZ2-CD1 4.27Å; W330-L429 HydrophobicContact CZ2-CG 3.88Å; W330-L429 HydrophobicContact CZ3-CD1 3.96Å; W330-L429 HydrophobicContact CZ3-CD2 3.74Å; W330-L429 HydrophobicContact CZ3-CG 3.72Å |
| 331 | Y | 63.8 | Low | 62.2 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 172.8 | -175 | -99.5 | 0 | 0 | 0 | 112.1 | K327 L328 K333 N334 I336 Q337 I349 I351 V356 I373 F376 F377 | K327-Y331 PolarHBondContact O-N 3.37Å; L328-Y331 PolarHBondContact O-N 2.87Å; Y331-K333 VanDerWaalsContact C-N 3.33Å; Y331-K333 PolarHBondContact O-N 3.25Å; Y331-N334 PolarHBondContact O-N 2.99Å; Y331-I336 HydrophobicContact CE2-CG2 4.27Å; Y331-Q337 HydrophobicContact CE1-CB 4.47Å; Y331-I349 WeakPolarHBondContact OH-CG2 3.36Å; Y331-I351 HydrophobicContact CD1-CD1 3.76Å; Y331-I351 HydrophobicContact CD1-CG1 4.48Å; Y331-I351 HydrophobicContact CE1-CD1 3.89Å; Y331-I351 HydrophobicContact CE1-CG1 4.22Å; Y331-V356 HydrophobicContact CD1-CG2 4.27Å; Y331-V356 HydrophobicContact CE1-CG1 4.1Å; Y331-V356 HydrophobicContact CE1-CG2 3.97Å; Y331-I373 HydrophobicContact CE2-CG1 4.34Å; Y331-I373 HydrophobicContact CE2-CG2 4.16Å; Y331-F376 HydrophobicContact CD2-CD1 4.08Å; Y331-F376 AromaticContact CD2-CE1 3.76Å; Y331-F376 HydrophobicContact CD2-CE1 3.76Å; Y331-F377 HydrophobicContact CD2-CE1 4.21Å; Y331-F377 AromaticContact CD2-CZ 3.92Å; Y331-F377 HydrophobicContact CD2-CZ 3.92Å; Y331-F377 HydrophobicContact CG-CE1 4.23Å; Y331-F377 AromaticContact CG-CZ 3.98Å; Y331-F377 HydrophobicContact CG-CZ 3.98Å |
| 332 | R | 64.5 | Low | 62.6 | Low | 149 Ų | 149 | 68.3 Ų | 68.3 | 56% | 0.562 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 174.8 | -75.9 | -178.6 | 178.1 | 162.8 | 4.2 | 113.9 | L328 A329 I351 | L328-R332 HydrophobicContact CD2-CG 4.3Å; L328-R332 VanDerWaalsContact CD2-CZ 3.47Å; L328-R332 PolarHBondContact O-N 3.05Å; A329-R332 PolarHBondContact O-N 2.82Å; R332-I351 HydrophobicContact CG-CD1 3.66Å |
| 333 | K | 58 | Low | 62.7 | Low | 144 Ų | 144 | 70.9 Ų | 70.9 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -85.3 | -8.6 | -179.4 | -84.6 | -167.8 | 174.2 | -177.2 | 0 | 115 | A329 W330 Y331 | A329-K333 PolarHBondContact O-N 2.92Å; A329-K333 VanDerWaalsContact O-N 3.09Å; W330-K333 PolarHBondContact O-N 2.74Å; Y331-K333 VanDerWaalsContact C-N 3.33Å; Y331-K333 PolarHBondContact O-N 3.25Å |
| 334 | N | 60.2 | Low | 63.4 | Low | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -107.1 | 145.3 | 179.4 | -80 | -99.3 | 0 | 0 | 0 | 111.2 | W330 Y331 I336 | W330-N334 VanDerWaalsContact CH2-CG 3.47Å; W330-N334 WeakPolarHBondContact CH2-ND2 3.47Å; W330-N334 WeakPolarHBondContact CH2-OD1 3.22Å; W330-N334 HydrophobicContact CZ3-CB 4.27Å; W330-N334 WeakPolarHBondContact CZ3-ND2 3.43Å; W330-N334 WeakPolarHBondContact CZ3-OD1 3.31Å; W330-N334 PolarHBondContact O-N 2.67Å; W330-N334 PolarHBondContact O-ND2 3.31Å; Y331-N334 PolarHBondContact O-N 2.99Å; N334-I336 HydrophobicContact CB-CB 4.48Å; N334-I336 HydrophobicContact CB-CD1 4.28Å; N334-I336 HydrophobicContact CB-CG1 4.38Å; N334-I336 PolarHBondContact O-N 2.81Å |
| 335 | N | 58.1 | Low | 63.7 | Low | 96 Ų | 96 | 69.8 Ų | 69.8 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 2.8 | 176.8 | -71.3 | -3.9 | 0 | 0 | 0 | 113.9 | Q337 Q338 D339 | N335-Q337 VanDerWaalsContact C-N 3.27Å; N335-Q337 PolarHBondContact O-N 3.3Å; N335-Q338 CarbonylContact O-C 3.54Å; N335-Q338 VanDerWaalsContact O-CA 3.29Å; N335-Q338 WeakPolarHBondContact O-CA 3.3Å; N335-Q338 VanDerWaalsContact O-CB 3.29Å; N335-Q338 WeakPolarHBondContact O-CB 3.38Å; N335-Q338 PolarHBondContact O-N 3.46Å; N335-D339 WeakPolarHBondContact CB-OD2 3.48Å; N335-D339 VanDerWaalsContact O-CG 3.3Å; N335-D339 PolarHBondContact O-N 2.75Å |
| 336 | I | 64.1 | Low | 63.7 | Low | 41 Ų | 41 | 64.3 Ų | 64.3 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -32.8 | -177.6 | -74.5 | 168.6 | 0 | 0 | 0 | 112.7 | Y331 N334 Q338 D339 V340 F376 | Y331-I336 HydrophobicContact CE2-CG2 4.27Å; N334-I336 HydrophobicContact CB-CB 4.48Å; N334-I336 HydrophobicContact CB-CD1 4.28Å; N334-I336 HydrophobicContact CB-CG1 4.38Å; N334-I336 PolarHBondContact O-N 2.81Å; I336-Q338 VanDerWaalsContact C-N 3.34Å; I336-D339 PolarHBondContact O-N 3.42Å; I336-V340 HydrophobicContact CG2-CG2 4.21Å; I336-V340 WeakPolarHBondContact O-CB 3.35Å; I336-V340 VanDerWaalsContact O-CG2 3.26Å; I336-V340 WeakPolarHBondContact O-CG2 3Å; I336-V340 PolarHBondContact O-N 2.99Å; I336-F376 HydrophobicContact CD1-CD2 3.67Å; I336-F376 HydrophobicContact CD1-CE1 4.45Å; I336-F376 HydrophobicContact CD1-CE2 3.11Å; I336-F376 HydrophobicContact CD1-CG 4.5Å; I336-F376 HydrophobicContact CD1-CZ 3.54Å |
| 337 | Q | 63.1 | Low | 64.1 | Low | 61 Ų | 61 | 63.7 Ų | 63.7 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 168.7 | -171.3 | -179.1 | 0.3 | 0 | 0 | 110.9 | Y331 N335 Q341 I349 | Y331-Q337 HydrophobicContact CE1-CB 4.47Å; N335-Q337 VanDerWaalsContact C-N 3.27Å; N335-Q337 PolarHBondContact O-N 3.3Å; Q337-Q341 WeakPolarHBondContact O-CB 3.27Å; Q337-Q341 PolarHBondContact O-N 3.23Å; Q337-I349 HydrophobicContact CG-CB 4.4Å; Q337-I349 HydrophobicContact CG-CG2 4.01Å; Q337-I349 PolarHBondContact NE2-O 2.8Å |
| 338 | Q | 63.2 | Low | 64 | Low | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 177.4 | -55.7 | -176.4 | 2.6 | 0 | 0 | 113 | N335 I336 K342 | N335-Q338 CarbonylContact O-C 3.54Å; N335-Q338 VanDerWaalsContact O-CA 3.29Å; N335-Q338 WeakPolarHBondContact O-CA 3.3Å; N335-Q338 VanDerWaalsContact O-CB 3.29Å; N335-Q338 WeakPolarHBondContact O-CB 3.38Å; N335-Q338 PolarHBondContact O-N 3.46Å; I336-Q338 VanDerWaalsContact C-N 3.34Å; Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.47Å; Q338-K342 PolarHBondContact O-N 2.8Å |
| 339 | D | 63.2 | Low | 64.4 | Low | 77 Ų | 77 | 63.8 Ų | 63.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -80.2 | -34.9 | -174.9 | -62.1 | -32.1 | 0 | 0 | 0 | 111.4 | N335 I336 K342 A343 | N335-D339 WeakPolarHBondContact CB-OD2 3.48Å; N335-D339 VanDerWaalsContact O-CG 3.3Å; N335-D339 PolarHBondContact O-N 2.75Å; I336-D339 PolarHBondContact O-N 3.42Å; D339-K342 PolarHBondContact O-N 2.94Å; D339-K342 IonicContact OD1-NZ 3.36Å; D339-K342 PolarHBondContact OD1-NZ 3.32Å; D339-A343 WeakPolarHBondContact O-CB 3.44Å; D339-A343 PolarHBondContact O-N 3.48Å |
| 340 | V | 66.3 | Low | 64.8 | Low | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 167.2 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | I336 K342 A343 H344 I349 I369 L372 | I336-V340 HydrophobicContact CG2-CG2 4.21Å; I336-V340 WeakPolarHBondContact O-CB 3.35Å; I336-V340 VanDerWaalsContact O-CG2 3.26Å; I336-V340 WeakPolarHBondContact O-CG2 3Å; I336-V340 PolarHBondContact O-N 2.99Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 2.88Å; V340-A343 PolarHBondContact O-N 2.94Å; V340-A343 VanDerWaalsContact O-N 3.16Å; V340-H344 PolarHBondContact O-N 3.2Å; V340-I349 HydrophobicContact CB-CD1 4.05Å; V340-I349 HydrophobicContact CG1-CD1 3.57Å; V340-I369 HydrophobicContact CG1-CG1 4.5Å; V340-I369 HydrophobicContact CG1-CG2 4.03Å; V340-L372 HydrophobicContact CG2-CD2 3.82Å |
| 341 | Q | 66.6 | Low | 64.8 | Low | 66 Ų | 66 | 67.7 Ų | 67.7 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -31.5 | 174.7 | -172.8 | 68.5 | 58.4 | 0 | 0 | 112.9 | Q337 H344 P345 F347 | Q337-Q341 WeakPolarHBondContact O-CB 3.27Å; Q337-Q341 PolarHBondContact O-N 3.23Å; Q341-H344 CarbonylContact O-C 3.51Å; Q341-P345 WeakPolarHBondContact O-CA 3.24Å; Q341-F347 PolarHBondContact NE2-O 3.2Å; Q341-F347 PolarHBondContact OE1-O 3.41Å |
| 342 | K | 66.2 | Low | 64.6 | Low | 135 Ų | 135 | 73.2 Ų | 73.2 | 59% | 0.587 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.3 | -36.3 | 170.7 | -75.1 | 164.9 | -158.2 | 155.6 | 0 | 112.6 | Q338 D339 V340 | Q338-K342 WeakPolarHBondContact O-CB 3.47Å; Q338-K342 WeakPolarHBondContact O-CG 3.47Å; Q338-K342 PolarHBondContact O-N 2.8Å; D339-K342 PolarHBondContact O-N 2.94Å; D339-K342 IonicContact OD1-NZ 3.36Å; D339-K342 PolarHBondContact OD1-NZ 3.32Å; V340-K342 VanDerWaalsContact C-N 3.31Å; V340-K342 PolarHBondContact O-N 2.88Å |
| 343 | A | 65.2 | Low | 64 | Low | 66 Ų | 66 | 73.3 Ų | 73.3 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.2 | -34.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D339 V340 | D339-A343 WeakPolarHBondContact O-CB 3.44Å; D339-A343 PolarHBondContact O-N 3.48Å; V340-A343 PolarHBondContact O-N 2.94Å; V340-A343 VanDerWaalsContact O-N 3.16Å |
| 344 | H | 67.1 | Low | 64.1 | Low | 50 Ų | 50 | 68.9 Ų | 68.9 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | trans | -130.3 | 71 | -177.3 | -58.9 | -80.7 | 0 | 0 | 0 | 111.4 | V340 Q341 S346 F347 I369 | V340-H344 PolarHBondContact O-N 3.2Å; Q341-H344 CarbonylContact O-C 3.51Å; H344-S346 PolarHBondContact O-N 3.05Å; H344-S346 VanDerWaalsContact O-N 3.11Å; H344-F347 HydrophobicContact CB-CD2 4.07Å; H344-F347 PolarHBondContact O-N 2.92Å; H344-F347 VanDerWaalsContact O-N 3.12Å; H344-I369 HydrophobicContact CB-CD1 3.93Å | ||
| 345 | P | 68.1 | Low | 64.1 | Low | 102 Ų | 102 | 68.3 Ų | 68.3 | 66% | 0.662 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.5 | -173.6 | 28.1 | -36.6 | 0 | 0 | 0 | 114.6 | Q341 F347 | Q341-P345 WeakPolarHBondContact O-CA 3.24Å; P345-F347 VanDerWaalsContact C-N 3.31Å |
| 346 | S | 60 | Low | 64.8 | Low | 72 Ų | 72 | 63.8 Ų | 63.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.4 | 174.9 | 44.4 | 0 | 0 | 0 | 0 | 114.2 | H344 P361 | H344-S346 PolarHBondContact O-N 3.05Å; H344-S346 VanDerWaalsContact O-N 3.11Å; S346-P361 VanDerWaalsContact O-CD 3.27Å; S346-P361 WeakPolarHBondContact O-CD 3.35Å |
| 347 | F | 70.4 | Confident | 65.1 | Low | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -112.1 | 154.9 | 174.8 | -71.6 | -95.4 | 0 | 0 | 0 | 110.6 | Q341 H344 P345 V358 S359 N362 E365 L366 I369 | Q341-F347 PolarHBondContact NE2-O 3.2Å; Q341-F347 PolarHBondContact OE1-O 3.41Å; H344-F347 HydrophobicContact CB-CD2 4.07Å; H344-F347 PolarHBondContact O-N 2.92Å; H344-F347 VanDerWaalsContact O-N 3.12Å; P345-F347 VanDerWaalsContact C-N 3.31Å; F347-V358 HydrophobicContact CB-CG1 4.48Å; F347-V358 HydrophobicContact CD1-CG1 4.22Å; F347-S359 CarbonylContact C-O 3.52Å; F347-S359 WeakPolarHBondContact CA-O 3.29Å; F347-N362 HydrophobicContact CZ-CB 4Å; F347-N362 WeakPolarHBondContact CZ-O 3.46Å; F347-E365 HydrophobicContact CE2-CB 3.76Å; F347-E365 HydrophobicContact CZ-CB 3.65Å; F347-L366 HydrophobicContact CD1-CD1 4.07Å; F347-L366 HydrophobicContact CE1-CB 3.95Å; F347-L366 HydrophobicContact CE1-CD1 3.98Å; F347-I369 HydrophobicContact CB-CD1 4.19Å; F347-I369 HydrophobicContact CD1-CD1 4.12Å; F347-I369 HydrophobicContact CD2-CD1 3.85Å; F347-I369 HydrophobicContact CE2-CD1 4.27Å; F347-I369 HydrophobicContact CG-CD1 3.76Å |
| 348 | S | 63.2 | Low | 65.6 | Low | 47 Ų | 47 | 60.9 Ų | 60.9 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.5 | 176.7 | 49 | 0 | 0 | 0 | 0 | 109.4 | V358 S359 | S348-V358 WeakPolarHBondContact O-CA 3.41Å; S348-S359 PolarHBondContact N-O 2.86Å; S348-S359 PolarHBondContact O-N 3.28Å; S348-S359 PolarHBondContact OG-O 3.18Å; S348-S359 PolarHBondContact OG-OG 3.25Å |
| 349 | I | 73.8 | Confident | 65.8 | Low | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 113.1 | -179.2 | -57.9 | 175.8 | 0 | 0 | 0 | 109.4 | Y331 Q337 V340 V356 H357 V358 I369 | Y331-I349 WeakPolarHBondContact OH-CG2 3.36Å; Q337-I349 HydrophobicContact CG-CB 4.4Å; Q337-I349 HydrophobicContact CG-CG2 4.01Å; Q337-I349 PolarHBondContact NE2-O 2.8Å; V340-I349 HydrophobicContact CB-CD1 4.05Å; V340-I349 HydrophobicContact CG1-CD1 3.57Å; I349-V356 HydrophobicContact CG2-CG1 4Å; I349-H357 WeakPolarHBondContact CA-O 3.21Å; I349-V358 HydrophobicContact CG1-CG1 4.15Å; I349-V358 HydrophobicContact CG1-CG2 4.28Å; I349-I369 HydrophobicContact CD1-CG2 4.44Å |
| 350 | Q | 67.2 | Low | 66.2 | Low | 97 Ų | 97 | 53.5 Ų | 53.5 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.8 | 177.6 | -63.9 | -172.4 | 2 | 0 | 0 | 110.8 | H357 | Q350-H357 PolarHBondContact N-O 2.92Å; Q350-H357 PolarHBondContact O-N 3.15Å |
| 351 | I | 68.4 | Low | 66.1 | Low | 36 Ų | 36 | 57.5 Ų | 57.5 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.9 | 174.4 | -53.3 | 173 | 0 | 0 | 0 | 107.2 | L328 Y331 R332 T355 | L328-I351 HydrophobicContact CD1-CG2 4.15Å; L328-I351 HydrophobicContact CD2-CG2 4.26Å; L328-I351 HydrophobicContact CG-CG2 4.43Å; Y331-I351 HydrophobicContact CD1-CD1 3.76Å; Y331-I351 HydrophobicContact CD1-CG1 4.48Å; Y331-I351 HydrophobicContact CE1-CD1 3.89Å; Y331-I351 HydrophobicContact CE1-CG1 4.22Å; R332-I351 HydrophobicContact CG-CD1 3.66Å; I351-T355 WeakPolarHBondContact CA-O 2.75Å |
| 352 | K | 59.8 | Low | 66.4 | Low | 115 Ų | 115 | 57.4 Ų | 57.4 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.1 | 176.9 | -69.8 | -173.8 | 177.6 | -177.5 | 0 | 109 | D354 T355 | K352-D354 PolarHBondContact O-N 3.01Å; K352-T355 PolarHBondContact N-O 2.87Å; K352-T355 WeakPolarHBondContact O-CA 3.43Å; K352-T355 PolarHBondContact O-N 3.2Å; K352-T355 VanDerWaalsContact O-O 3.09Å; K352-T355 PolarHBondContact O-OG1 3.06Å |
| 353 | D | 52.1 | Low | 66.6 | Low | 152 Ų | 152 | 57.9 Ų | 57.9 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 56.2 | 166.4 | -44.8 | -42.4 | 0 | 0 | 0 | 113.7 | T355 | D353-T355 PolarHBondContact O-N 2.95Š|
| 354 | D | 59.2 | Low | 66.8 | Low | 50 Ų | 50 | 60.5 Ų | 60.5 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 16.6 | -175.2 | -67.7 | -23.7 | 0 | 0 | 0 | 115.9 | V322 R325 L328 K352 | V322-D354 PolarHBondContact N-O 2.83Å; R325-D354 IonicContact CZ-OD2 2.69Å; R325-D354 VanDerWaalsContact CZ-OD2 3.3Å; R325-D354 IonicContact NE-OD2 2.71Å; R325-D354 PolarHBondContact NE-OD2 3.46Å; R325-D354 IonicContact NH2-OD2 3.65Å; R325-D354 PolarHBondContact NH2-OD2 3.06Å; L328-D354 HydrophobicContact CD1-CB 4.29Å; K352-D354 PolarHBondContact O-N 3.01Å |
| 355 | T | 60.3 | Low | 66.8 | Low | 36 Ų | 36 | 61.2 Ų | 61.2 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 150.5 | 171.1 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | I320 I351 K352 D353 | I320-T355 WeakPolarHBondContact O-CA 3.25Å; I351-T355 WeakPolarHBondContact CA-O 2.75Å; K352-T355 PolarHBondContact N-O 2.87Å; K352-T355 WeakPolarHBondContact O-CA 3.43Å; K352-T355 PolarHBondContact O-N 3.2Å; K352-T355 VanDerWaalsContact O-O 3.09Å; K352-T355 PolarHBondContact O-OG1 3.06Å; D353-T355 PolarHBondContact O-N 2.95Å |
| 356 | V | 73.2 | Confident | 67.1 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.6 | 167.5 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | I320 V322 Y331 I349 V358 F377 | I320-V356 HydrophobicContact CB-CB 4.27Å; I320-V356 PolarHBondContact N-O 2.8Å; I320-V356 PolarHBondContact O-N 2.87Å; V322-V356 HydrophobicContact CG2-CG2 4.05Å; Y331-V356 HydrophobicContact CD1-CG2 4.27Å; Y331-V356 HydrophobicContact CE1-CG1 4.1Å; Y331-V356 HydrophobicContact CE1-CG2 3.97Å; I349-V356 HydrophobicContact CG2-CG1 4Å; V356-V358 HydrophobicContact CG1-CG2 4.41Å; V356-F377 HydrophobicContact CG2-CZ 4.39Å |
| 357 | H | 70.3 | Confident | 67.5 | Low | 42 Ų | 42 | 57.4 Ų | 57.4 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.6 | 177.4 | -172.6 | -74.5 | 0 | 0 | 0 | 109.5 | H319 I349 Q350 S359 | H319-H357 AromaticContact CE1-CD2 3.4Å; H319-H357 PolarHBondContact CE1-CD2 2.9Å; H319-H357 VanDerWaalsContact CE1-CD2 3.4Å; H319-H357 AromaticContact CE1-NE2 3.89Å; H319-H357 AromaticContact ND1-CD2 3.71Å; H319-H357 AromaticContact NE2-CD2 3.99Å; I349-H357 WeakPolarHBondContact CA-O 3.21Å; Q350-H357 PolarHBondContact N-O 2.92Å; Q350-H357 PolarHBondContact O-N 3.15Å; H357-S359 PolarHBondContact CE1-OG 3Å; H357-S359 VanDerWaalsContact CE1-OG 3.28Å; H357-S359 PolarHBondContact ND1-OG 2.93Å |
| 358 | V | 74.9 | Confident | 67.7 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.3 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | S317 C318 F347 S348 I349 V356 L366 I369 I373 | S317-V358 CarbonylContact C-O 3.6Å; S317-V358 VanDerWaalsContact CA-O 3.27Å; S317-V358 WeakPolarHBondContact CA-O 3.45Å; C318-V358 PolarHBondContact N-O 2.92Å; C318-V358 PolarHBondContact O-N 3.43Å; F347-V358 HydrophobicContact CB-CG1 4.48Å; F347-V358 HydrophobicContact CD1-CG1 4.22Å; S348-V358 WeakPolarHBondContact O-CA 3.41Å; I349-V358 HydrophobicContact CG1-CG1 4.15Å; I349-V358 HydrophobicContact CG1-CG2 4.28Å; V356-V358 HydrophobicContact CG1-CG2 4.41Å; V358-L366 HydrophobicContact CB-CD1 3.85Å; V358-L366 HydrophobicContact CG1-CD1 3.57Å; V358-I369 HydrophobicContact CG1-CG2 4.07Å; V358-I369 HydrophobicContact CG2-CG2 4.35Å; V358-I373 HydrophobicContact CG2-CD1 4.16Å |
| 359 | S | 65.4 | Low | 68.2 | Low | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.8 | -177.7 | 26.9 | 0 | 0 | 0 | 0 | 112.4 | H316 F347 S348 H357 | H316-S359 WeakPolarHBondContact O-CA 3.33Å; F347-S359 CarbonylContact C-O 3.52Å; F347-S359 WeakPolarHBondContact CA-O 3.29Å; S348-S359 PolarHBondContact N-O 2.86Å; S348-S359 PolarHBondContact O-N 3.28Å; S348-S359 PolarHBondContact OG-O 3.18Å; S348-S359 PolarHBondContact OG-OG 3.25Å; H357-S359 PolarHBondContact CE1-OG 3Å; H357-S359 VanDerWaalsContact CE1-OG 3.28Å; H357-S359 PolarHBondContact ND1-OG 2.93Å |
| 360 | G | 73.3 | Confident | 68.1 | Low | 8 Ų | 8 | 62.6 Ų | 62.6 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.4 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H316 | H316-G360 PolarHBondContact N-O 3.11Å; H316-G360 PolarHBondContact O-N 2.77Å; H316-G360 VanDerWaalsContact O-O 3.11Å |
| 361 | P | 63.9 | Low | 68.3 | Low | 96 Ų | 96 | 62.3 Ų | 62.3 | 62% | 0.623 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -81.5 | -17.7 | -164.6 | 31 | -36.1 | 0 | 0 | 0 | 115.1 | S346 | S346-P361 VanDerWaalsContact O-CD 3.27Å; S346-P361 WeakPolarHBondContact O-CD 3.35Å |
| 362 | N | 72.7 | Confident | 68.6 | Low | 63 Ų | 63 | 63.8 Ų | 63.8 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | trans | -111.8 | 109.9 | -173.9 | -179.3 | 0.7 | 0 | 0 | 0 | 112.4 | F347 L364 E365 L366 | F347-N362 HydrophobicContact CZ-CB 4Å; F347-N362 WeakPolarHBondContact CZ-O 3.46Å; N362-L364 VanDerWaalsContact C-N 3.26Å; N362-L364 PolarHBondContact O-N 2.7Å; N362-L364 PolarHBondContact OD1-N 2.66Å; N362-E365 HydrophobicContact CB-CB 4.33Å; N362-E365 WeakPolarHBondContact CB-OE2 3.47Å; N362-E365 WeakPolarHBondContact ND2-CG 3.44Å; N362-E365 PolarHBondContact ND2-OE2 3.05Å; N362-E365 PolarHBondContact O-N 3.06Å; N362-L366 WeakPolarHBondContact O-CB 3.46Å; N362-L366 PolarHBondContact O-N 2.88Å | ||
| 363 | K | 69.1 | Low | 69.1 | Low | 146 Ų | 146 | 58.3 Ų | 58.3 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.3 | -27.5 | -178.9 | -163.7 | 166.3 | -176.6 | 167.3 | 0 | 114.3 | E367 | K363-E367 PolarHBondContact O-N 3.13Å |
| 364 | L | 70.3 | Confident | 69.9 | Low | 121 Ų | 121 | 53.6 Ų | 53.6 | 63% | 0.634 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -79.6 | -41.6 | -179 | -167.2 | 72.1 | 0 | 0 | 0 | 111.9 | N362 L366 Q368 | N362-L364 VanDerWaalsContact C-N 3.26Å; N362-L364 PolarHBondContact O-N 2.7Å; N362-L364 PolarHBondContact OD1-N 2.66Å; L364-L366 VanDerWaalsContact C-N 3.34Å; L364-Q368 WeakPolarHBondContact O-CG 3.24Å; L364-Q368 PolarHBondContact O-N 3.31Å |
| 365 | E | 67.8 | Low | 70.4 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.8 | -32.9 | 174.1 | -74.4 | 173.1 | 138 | 0 | 0 | 111.5 | F347 N362 E367 Q368 I369 | F347-E365 HydrophobicContact CE2-CB 3.76Å; F347-E365 HydrophobicContact CZ-CB 3.65Å; N362-E365 HydrophobicContact CB-CB 4.33Å; N362-E365 WeakPolarHBondContact CB-OE2 3.47Å; N362-E365 WeakPolarHBondContact ND2-CG 3.44Å; N362-E365 PolarHBondContact ND2-OE2 3.05Å; N362-E365 PolarHBondContact O-N 3.06Å; E365-E367 PolarHBondContact O-N 3.26Å; E365-Q368 PolarHBondContact O-N 2.14Å; E365-Q368 VanDerWaalsContact O-N 3.13Å; E365-I369 WeakPolarHBondContact O-CG1 3.31Å; E365-I369 PolarHBondContact O-N 3.13Å |
| 366 | L | 73.1 | Confident | 70.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.3 | -171.3 | 63.3 | 0 | 0 | 0 | 112.2 | H316 C318 F347 V358 N362 L364 I369 K370 | H316-L366 HydrophobicContact CB-CD2 4.23Å; C318-L366 HydrophobicContact CB-CD1 4.42Å; C318-L366 HydrophobicContact CB-CD2 4.08Å; C318-L366 HydrophobicContact CB-CG 4.16Å; F347-L366 HydrophobicContact CD1-CD1 4.07Å; F347-L366 HydrophobicContact CE1-CB 3.95Å; F347-L366 HydrophobicContact CE1-CD1 3.98Å; V358-L366 HydrophobicContact CB-CD1 3.85Å; V358-L366 HydrophobicContact CG1-CD1 3.57Å; N362-L366 WeakPolarHBondContact O-CB 3.46Å; N362-L366 PolarHBondContact O-N 2.88Å; L364-L366 VanDerWaalsContact C-N 3.34Å; L366-I369 PolarHBondContact O-N 3.21Å; L366-K370 VanDerWaalsContact O-CB 3.31Å; L366-K370 WeakPolarHBondContact O-CB 3.48Å; L366-K370 PolarHBondContact O-N 2.51Å |
| 367 | E | 69.9 | Low | 70.7 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 174.7 | -73.4 | -69.1 | 131.7 | 0 | 0 | 112 | K363 E365 K370 D371 | K363-E367 PolarHBondContact O-N 3.13Å; E365-E367 PolarHBondContact O-N 3.26Å; E367-K370 WeakPolarHBondContact O-CB 3.41Å; E367-K370 PolarHBondContact O-N 3.11Å; E367-K370 VanDerWaalsContact OE1-CD 3.31Å; E367-K370 WeakPolarHBondContact OE1-CD 3.38Å; E367-K370 IonicContact OE1-NZ 3.27Å; E367-K370 PolarHBondContact OE1-NZ 2.94Å; E367-K370 WeakPolarHBondContact OE2-CD 3.25Å; E367-K370 IonicContact OE2-NZ 3.47Å; E367-K370 PolarHBondContact OE2-NZ 2.9Å; E367-D371 WeakPolarHBondContact O-CB 3.38Å; E367-D371 PolarHBondContact O-N 3.21Å |
| 368 | Q | 72.9 | Confident | 70.5 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 175 | -70.1 | 175.9 | 21 | 0 | 0 | 113 | L364 E365 D371 L372 | L364-Q368 WeakPolarHBondContact O-CG 3.24Å; L364-Q368 PolarHBondContact O-N 3.31Å; E365-Q368 PolarHBondContact O-N 2.14Å; E365-Q368 VanDerWaalsContact O-N 3.13Å; Q368-D371 PolarHBondContact O-N 3.05Å; Q368-L372 WeakPolarHBondContact O-CB 3.31Å; Q368-L372 PolarHBondContact O-N 3.1Å |
| 369 | I | 73.6 | Confident | 70.1 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.8 | -69.4 | 165.1 | 0 | 0 | 0 | 110 | V340 H344 F347 I349 V358 E365 L366 D371 L372 I373 | V340-I369 HydrophobicContact CG1-CG1 4.5Å; V340-I369 HydrophobicContact CG1-CG2 4.03Å; H344-I369 HydrophobicContact CB-CD1 3.93Å; F347-I369 HydrophobicContact CB-CD1 4.19Å; F347-I369 HydrophobicContact CD1-CD1 4.12Å; F347-I369 HydrophobicContact CD2-CD1 3.85Å; F347-I369 HydrophobicContact CE2-CD1 4.27Å; F347-I369 HydrophobicContact CG-CD1 3.76Å; I349-I369 HydrophobicContact CD1-CG2 4.44Å; V358-I369 HydrophobicContact CG1-CG2 4.07Å; V358-I369 HydrophobicContact CG2-CG2 4.35Å; E365-I369 WeakPolarHBondContact O-CG1 3.31Å; E365-I369 PolarHBondContact O-N 3.13Å; L366-I369 PolarHBondContact O-N 3.21Å; I369-D371 VanDerWaalsContact C-N 3.35Å; I369-D371 PolarHBondContact O-N 3.47Å; I369-L372 WeakPolarHBondContact O-CB 3.35Å; I369-L372 PolarHBondContact O-N 3.13Å; I369-I373 HydrophobicContact CG2-CD1 3.78Å; I369-I373 HydrophobicContact CG2-CG1 4.48Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.93Å |
| 370 | K | 73.4 | Confident | 70.6 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 173.9 | 174.1 | -163.1 | 177.1 | -165.8 | 0 | 111.9 | I320 L366 E367 L372 I373 S374 | I320-K370 HydrophobicContact CD1-CB 4.29Å; I320-K370 HydrophobicContact CD1-CG 4.19Å; I320-K370 HydrophobicContact CG1-CG 4.2Å; L366-K370 VanDerWaalsContact O-CB 3.31Å; L366-K370 WeakPolarHBondContact O-CB 3.48Å; L366-K370 PolarHBondContact O-N 2.51Å; E367-K370 WeakPolarHBondContact O-CB 3.41Å; E367-K370 PolarHBondContact O-N 3.11Å; E367-K370 VanDerWaalsContact OE1-CD 3.31Å; E367-K370 WeakPolarHBondContact OE1-CD 3.38Å; E367-K370 IonicContact OE1-NZ 3.27Å; E367-K370 PolarHBondContact OE1-NZ 2.94Å; E367-K370 WeakPolarHBondContact OE2-CD 3.25Å; E367-K370 IonicContact OE2-NZ 3.47Å; E367-K370 PolarHBondContact OE2-NZ 2.9Å; K370-L372 VanDerWaalsContact C-N 3.35Å; K370-I373 PolarHBondContact O-N 3.18Å; K370-S374 VanDerWaalsContact O-CB 3.26Å; K370-S374 WeakPolarHBondContact O-CB 3.38Å; K370-S374 PolarHBondContact O-N 3.24Å; K370-S374 PolarHBondContact O-OG 2.81Å |
| 371 | D | 70.5 | Confident | 70.7 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 174.8 | -118 | 23 | 0 | 0 | 0 | 112.4 | E367 Q368 I369 R375 | E367-D371 WeakPolarHBondContact O-CB 3.38Å; E367-D371 PolarHBondContact O-N 3.21Å; Q368-D371 PolarHBondContact O-N 3.05Å; I369-D371 VanDerWaalsContact C-N 3.35Å; I369-D371 PolarHBondContact O-N 3.47Å; D371-R375 VanDerWaalsContact O-CB 3.27Å; D371-R375 WeakPolarHBondContact O-CB 3.47Å; D371-R375 VanDerWaalsContact O-CG 3.28Å; D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.88Å; D371-R375 PolarHBondContact O-NE 3.23Å; D371-R375 VanDerWaalsContact O-NE 3.13Å |
| 372 | L | 74.3 | Confident | 71.4 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 177.3 | -171.8 | 153.1 | 0 | 0 | 0 | 111.2 | V340 Q368 I369 K370 F376 | V340-L372 HydrophobicContact CG2-CD2 3.82Å; Q368-L372 WeakPolarHBondContact O-CB 3.31Å; Q368-L372 PolarHBondContact O-N 3.1Å; I369-L372 WeakPolarHBondContact O-CB 3.35Å; I369-L372 PolarHBondContact O-N 3.13Å; K370-L372 VanDerWaalsContact C-N 3.35Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 PolarHBondContact O-N 2.81Å |
| 373 | I | 71.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 175 | -66.5 | 168.3 | 0 | 0 | 0 | 110.7 | I320 Y331 V358 I369 K370 F376 F377 | I320-I373 HydrophobicContact CD1-CB 3.87Å; I320-I373 HydrophobicContact CD1-CD1 4.04Å; I320-I373 HydrophobicContact CD1-CG2 3.67Å; Y331-I373 HydrophobicContact CE2-CG1 4.34Å; Y331-I373 HydrophobicContact CE2-CG2 4.16Å; V358-I373 HydrophobicContact CG2-CD1 4.16Å; I369-I373 HydrophobicContact CG2-CD1 3.78Å; I369-I373 HydrophobicContact CG2-CG1 4.48Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.93Å; K370-I373 PolarHBondContact O-N 3.18Å; I373-F376 WeakPolarHBondContact O-CB 3.16Å; I373-F376 PolarHBondContact O-N 3.48Å; I373-F377 HydrophobicContact CG2-CD2 3.73Å; I373-F377 HydrophobicContact CG2-CE2 3.34Å; I373-F377 HydrophobicContact CG2-CZ 4.2Å; I373-F377 VanDerWaalsContact O-CD2 3.28Å; I373-F377 WeakPolarHBondContact O-CD2 3.26Å; I373-F377 PolarHBondContact O-N 2.96Å |
| 374 | S | 69.2 | Low | 72.5 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 177.1 | -58 | 0 | 0 | 0 | 0 | 112.3 | K370 F376 F377 G378 | K370-S374 VanDerWaalsContact O-CB 3.26Å; K370-S374 WeakPolarHBondContact O-CB 3.38Å; K370-S374 PolarHBondContact O-N 3.24Å; K370-S374 PolarHBondContact O-OG 2.81Å; S374-F376 PolarHBondContact O-N 2.9Å; S374-F377 PolarHBondContact O-N 3.37Å; S374-G378 PolarHBondContact O-N 3.37Å |
| 375 | R | 69.4 | Low | 73.1 | Confident | 146 Ų | 146 | 55.1 Ų | 55.1 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.4 | -33 | 172.3 | -79.1 | 178.3 | -81.5 | 112.3 | -4.9 | 112.3 | D371 G378 S379 | D371-R375 VanDerWaalsContact O-CB 3.27Å; D371-R375 WeakPolarHBondContact O-CB 3.47Å; D371-R375 VanDerWaalsContact O-CG 3.28Å; D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.88Å; D371-R375 PolarHBondContact O-NE 3.23Å; D371-R375 VanDerWaalsContact O-NE 3.13Å; R375-G378 PolarHBondContact O-N 2.69Å; R375-S379 PolarHBondContact O-N 2.87Å; R375-S379 VanDerWaalsContact O-N 3.14Å |
| 376 | F | 70.1 | Confident | 73.9 | Confident | 20 Ų | 20 | 56.7 Ų | 56.7 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.2 | -46.6 | 172.9 | 170.9 | -101.9 | 0 | 0 | 0 | 112.6 | W330 Y331 I336 L372 I373 S374 G378 S379 I380 L429 | W330-F376 HydrophobicContact CE3-CE1 4.42Å; W330-F376 HydrophobicContact CE3-CE2 4.09Å; W330-F376 AromaticContact CE3-CZ 3.51Å; W330-F376 HydrophobicContact CE3-CZ 3.51Å; W330-F376 AromaticContact CZ3-CE2 3.75Å; W330-F376 HydrophobicContact CZ3-CE2 3.75Å; W330-F376 AromaticContact CZ3-CZ 3.58Å; W330-F376 HydrophobicContact CZ3-CZ 3.58Å; Y331-F376 HydrophobicContact CD2-CD1 4.08Å; Y331-F376 AromaticContact CD2-CE1 3.76Å; Y331-F376 HydrophobicContact CD2-CE1 3.76Å; I336-F376 HydrophobicContact CD1-CD2 3.67Å; I336-F376 HydrophobicContact CD1-CE1 4.45Å; I336-F376 HydrophobicContact CD1-CE2 3.11Å; I336-F376 HydrophobicContact CD1-CG 4.5Å; I336-F376 HydrophobicContact CD1-CZ 3.54Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 PolarHBondContact O-N 2.81Å; I373-F376 WeakPolarHBondContact O-CB 3.16Å; I373-F376 PolarHBondContact O-N 3.48Å; S374-F376 PolarHBondContact O-N 2.9Å; F376-G378 PolarHBondContact O-N 2.75Å; F376-S379 PolarHBondContact O-N 2.8Å; F376-S379 PolarHBondContact O-OG 3.11Å; F376-I380 HydrophobicContact CE1-CD1 4.23Å; F376-I380 HydrophobicContact CZ-CD1 4.44Å; F376-I380 PolarHBondContact O-N 2.8Å; F376-L429 HydrophobicContact CE2-CD2 4.03Å |
| 377 | F | 69.8 | Low | 74.3 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -22.7 | 173.4 | -70.8 | -49.9 | 0 | 0 | 0 | 113.4 | I320 V322 K327 Y331 V356 I373 S374 I380 | I320-F377 HydrophobicContact CG2-CE2 4.46Å; V322-F377 HydrophobicContact CG1-CE1 4.22Å; V322-F377 HydrophobicContact CG1-CE2 4.48Å; V322-F377 HydrophobicContact CG1-CZ 4.14Å; V322-F377 HydrophobicContact CG2-CD2 4.4Å; V322-F377 HydrophobicContact CG2-CE2 3.6Å; V322-F377 HydrophobicContact CG2-CZ 3.72Å; K327-F377 HydrophobicContact CB-CD1 3.86Å; K327-F377 HydrophobicContact CB-CE1 4.12Å; Y331-F377 HydrophobicContact CD2-CE1 4.21Å; Y331-F377 AromaticContact CD2-CZ 3.92Å; Y331-F377 HydrophobicContact CD2-CZ 3.92Å; Y331-F377 HydrophobicContact CG-CE1 4.23Å; Y331-F377 AromaticContact CG-CZ 3.98Å; Y331-F377 HydrophobicContact CG-CZ 3.98Å; V356-F377 HydrophobicContact CG2-CZ 4.39Å; I373-F377 HydrophobicContact CG2-CD2 3.73Å; I373-F377 HydrophobicContact CG2-CE2 3.34Å; I373-F377 HydrophobicContact CG2-CZ 4.2Å; I373-F377 VanDerWaalsContact O-CD2 3.28Å; I373-F377 WeakPolarHBondContact O-CD2 3.26Å; I373-F377 PolarHBondContact O-N 2.96Å; S374-F377 PolarHBondContact O-N 3.37Å; F377-I380 HydrophobicContact CD1-CD1 4.2Å |
| 378 | G | 64.6 | Low | 74.9 | Confident | 66 Ų | 66 | 55 Ų | 55 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S374 R375 F376 | S374-G378 PolarHBondContact O-N 3.37Å; R375-G378 PolarHBondContact O-N 2.69Å; F376-G378 PolarHBondContact O-N 2.75Å |
| 379 | S | 68.1 | Low | 75.2 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -11.9 | 176.9 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | R375 F376 A381 | R375-S379 PolarHBondContact O-N 2.87Å; R375-S379 VanDerWaalsContact O-N 3.14Å; F376-S379 PolarHBondContact O-N 2.8Å; F376-S379 PolarHBondContact O-OG 3.11Å; S379-A381 PolarHBondContact O-N 3.31Å |
| 380 | I | 75.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | trans | -72 | 111.6 | 171.1 | -59.9 | 170.5 | 0 | 0 | 0 | 108.8 | K327 W330 F376 F377 T427 L429 | K327-I380 HydrophobicContact CB-CD1 4.2Å; K327-I380 HydrophobicContact CG-CB 4.47Å; K327-I380 HydrophobicContact CG-CD1 3.96Å; K327-I380 HydrophobicContact CG-CG2 4.29Å; W330-I380 HydrophobicContact CB-CD1 4.06Å; W330-I380 HydrophobicContact CD2-CD1 4.36Å; W330-I380 HydrophobicContact CE3-CD1 4.13Å; W330-I380 HydrophobicContact CE3-CG1 4.31Å; W330-I380 HydrophobicContact CG-CD1 4.31Å; F376-I380 HydrophobicContact CE1-CD1 4.23Å; F376-I380 HydrophobicContact CZ-CD1 4.44Å; F376-I380 PolarHBondContact O-N 2.8Å; F377-I380 HydrophobicContact CD1-CD1 4.2Å; I380-T427 HydrophobicContact CG2-CG2 4.18Å; I380-L429 HydrophobicContact CG1-CD2 4.49Å | ||
| 381 | A | 75.5 | Confident | 75.7 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S379 T427 S428 K431 | S379-A381 PolarHBondContact O-N 3.31Å; A381-T427 WeakPolarHBondContact O-CA 3.39Å; A381-S428 PolarHBondContact N-O 3.32Å; A381-S428 PolarHBondContact O-N 3.35Å; A381-K431 HydrophobicContact CB-CB 3.78Å; A381-K431 HydrophobicContact CB-CG 4.47Å |
| 382 | E | 78.3 | Confident | 76.2 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138 | 176.3 | -170.7 | -173.8 | -173.7 | 0 | 0 | 110.5 | R384 S425 V426 T427 | E382-R384 VanDerWaalsContact CD-NE 3.3Å; E382-R384 VanDerWaalsContact CD-NH2 3.31Å; E382-R384 HydrophobicContact CG-CG 4.37Å; E382-R384 IonicContact OE1-CZ 2.76Å; E382-R384 VanDerWaalsContact OE1-CZ 3.27Å; E382-R384 IonicContact OE1-NE 2.73Å; E382-R384 PolarHBondContact OE1-NE 3.05Å; E382-R384 IonicContact OE1-NH2 2.66Å; E382-R384 PolarHBondContact OE1-NH2 3.34Å; E382-R384 IonicContact OE2-CZ 3.2Å; E382-R384 IonicContact OE2-NE 2.71Å; E382-R384 PolarHBondContact OE2-NE 2.75Å; E382-R384 IonicContact OE2-NH2 3.82Å; E382-R384 PolarHBondContact OE2-NH2 2.91Å; E382-S425 WeakPolarHBondContact OE1-CB 3.18Å; E382-V426 CarbonylContact C-O 3.41Å; E382-V426 WeakPolarHBondContact CA-O 3.49Å; E382-T427 HydrophobicContact CB-CG2 4.15Å; E382-T427 HydrophobicContact CG-CG2 3.95Å |
| 383 | T | 81.8 | Confident | 76.6 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.2 | 170.5 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | V426 D435 | T383-V426 PolarHBondContact N-O 3.43Å; T383-V426 PolarHBondContact O-N 3.3Å; T383-D435 VanDerWaalsContact CG2-OD1 3.25Å; T383-D435 WeakPolarHBondContact CG2-OD1 3.27Å; T383-D435 PolarHBondContact OG1-OD1 3.3Å |
| 384 | R | 82.2 | Confident | 77.1 | Confident | 163 Ų | 163 | 53.8 Ų | 53.8 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.5 | 178 | -63 | -175.2 | -173.7 | 174.4 | 7.6 | 110.9 | E382 T423 V424 | E382-R384 VanDerWaalsContact CD-NE 3.3Å; E382-R384 VanDerWaalsContact CD-NH2 3.31Å; E382-R384 HydrophobicContact CG-CG 4.37Å; E382-R384 IonicContact OE1-CZ 2.76Å; E382-R384 VanDerWaalsContact OE1-CZ 3.27Å; E382-R384 IonicContact OE1-NE 2.73Å; E382-R384 PolarHBondContact OE1-NE 3.05Å; E382-R384 IonicContact OE1-NH2 2.66Å; E382-R384 PolarHBondContact OE1-NH2 3.34Å; E382-R384 IonicContact OE2-CZ 3.2Å; E382-R384 IonicContact OE2-NE 2.71Å; E382-R384 PolarHBondContact OE2-NE 2.75Å; E382-R384 IonicContact OE2-NH2 3.82Å; E382-R384 PolarHBondContact OE2-NH2 2.91Å; R384-T423 HydrophobicContact CB-CG2 3.98Å; R384-T423 HydrophobicContact CG-CG2 4.33Å; R384-V424 WeakPolarHBondContact CA-O 3.4Å |
| 385 | F | 84.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.5 | 169.4 | 65.2 | -87.2 | 0 | 0 | 0 | 111.3 | V387 V424 V426 L441 K442 | F385-V387 HydrophobicContact CD2-CG1 3.78Å; F385-V387 HydrophobicContact CE2-CG1 3.52Å; F385-V424 HydrophobicContact CD1-CB 4.18Å; F385-V424 HydrophobicContact CD2-CB 4.27Å; F385-V424 HydrophobicContact CE1-CB 3.73Å; F385-V424 HydrophobicContact CE1-CG1 3.71Å; F385-V424 HydrophobicContact CE2-CB 3.84Å; F385-V424 HydrophobicContact CE2-CG1 4.4Å; F385-V424 HydrophobicContact CE2-CG2 3.91Å; F385-V424 HydrophobicContact CG-CB 4.45Å; F385-V424 HydrophobicContact CZ-CB 3.56Å; F385-V424 HydrophobicContact CZ-CG1 3.64Å; F385-V424 HydrophobicContact CZ-CG2 3.97Å; F385-V424 PolarHBondContact N-O 2.9Å; F385-V424 PolarHBondContact O-N 2.93Å; F385-V426 HydrophobicContact CD1-CG2 4.43Å; F385-V426 HydrophobicContact CE1-CG2 3.84Å; F385-L441 HydrophobicContact CE1-CB 4.46Å; F385-L441 HydrophobicContact CZ-CB 4Å; F385-K442 HydrophobicContact CD2-CB 4.24Å; F385-K442 HydrophobicContact CD2-CD 3.92Å; F385-K442 HydrophobicContact CD2-CG 4.43Å; F385-K442 HydrophobicContact CE2-CB 3.8Å; F385-K442 HydrophobicContact CE2-CD 4.28Å; F385-K442 HydrophobicContact CE2-CG 4.29Å; F385-K442 HydrophobicContact CZ-CB 4.15Å |
| 386 | T | 83.1 | Confident | 78.3 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 149.2 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | S422 K442 | T386-S422 WeakPolarHBondContact CA-O 3.48Å; T386-K442 PolarHBondContact O-NZ 3.49Å |
| 387 | V | 83.1 | Confident | 78.9 | Confident | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | trans | -135.5 | 169.4 | 174.9 | -64 | 0 | 0 | 0 | 0 | 109.2 | F385 V391 A392 S422 V424 | F385-V387 HydrophobicContact CD2-CG1 3.78Å; F385-V387 HydrophobicContact CE2-CG1 3.52Å; V387-V391 HydrophobicContact CB-CB 4.03Å; V387-V391 HydrophobicContact CB-CG1 3.8Å; V387-V391 HydrophobicContact CG1-CG1 4.06Å; V387-V391 HydrophobicContact CG2-CB 4.32Å; V387-V391 HydrophobicContact CG2-CG1 4.22Å; V387-A392 HydrophobicContact CG2-CB 3.9Å; V387-S422 PolarHBondContact N-O 3.17Å; V387-V424 HydrophobicContact CG1-CG2 3.99Å; V387-V424 HydrophobicContact CG2-CG2 3.9Å | ||
| 388 | G | 81.6 | Confident | 79.4 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | trans | -69.1 | 156.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E390 V391 A392 | G388-E390 VanDerWaalsContact C-N 3.3Å; G388-E390 PolarHBondContact O-N 3.09Å; G388-V391 WeakPolarHBondContact O-CB 3.48Å; G388-V391 PolarHBondContact O-N 2.91Å; G388-V391 VanDerWaalsContact O-N 3.11Å; G388-A392 PolarHBondContact O-N 3.48Å | ||
| 389 | P | 79.3 | Confident | 80.2 | Confident | 78 Ų | 78 | 58 Ų | 58 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | -176.9 | 24.4 | -34 | 0 | 0 | 0 | 112.8 | V391 A392 L393 | P389-V391 VanDerWaalsContact C-N 3.34Å; P389-V391 PolarHBondContact O-N 3.3Å; P389-A392 WeakPolarHBondContact O-CB 3.1Å; P389-A392 PolarHBondContact O-N 3.39Å; P389-L393 WeakPolarHBondContact O-CG 3.2Å; P389-L393 PolarHBondContact O-N 2.89Å |
| 390 | E | 75.9 | Confident | 80.8 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.8 | -62.2 | 148.9 | 156.7 | 0 | 0 | 111.4 | G388 A392 L393 F394 K478 | G388-E390 VanDerWaalsContact C-N 3.3Å; G388-E390 PolarHBondContact O-N 3.09Å; E390-A392 VanDerWaalsContact C-N 3.34Å; E390-L393 PolarHBondContact O-N 3.11Å; E390-F394 WeakPolarHBondContact O-CB 3.23Å; E390-F394 PolarHBondContact O-N 3.22Å; E390-K478 VanDerWaalsContact CD-NZ 3.28Å; E390-K478 VanDerWaalsContact OE1-CD 3.24Å; E390-K478 WeakPolarHBondContact OE1-CD 3.41Å; E390-K478 WeakPolarHBondContact OE1-CE 3.05Å; E390-K478 IonicContact OE1-NZ 2.67Å; E390-K478 PolarHBondContact OE1-NZ 3.25Å; E390-K478 IonicContact OE2-NZ 2.63Å; E390-K478 PolarHBondContact OE2-NZ 3.14Å |
| 391 | V | 81.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -34.4 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | V387 G388 P389 L395 V445 L489 | V387-V391 HydrophobicContact CB-CB 4.03Å; V387-V391 HydrophobicContact CB-CG1 3.8Å; V387-V391 HydrophobicContact CG1-CG1 4.06Å; V387-V391 HydrophobicContact CG2-CB 4.32Å; V387-V391 HydrophobicContact CG2-CG1 4.22Å; G388-V391 WeakPolarHBondContact O-CB 3.48Å; G388-V391 PolarHBondContact O-N 2.91Å; G388-V391 VanDerWaalsContact O-N 3.11Å; P389-V391 VanDerWaalsContact C-N 3.34Å; P389-V391 PolarHBondContact O-N 3.3Å; V391-L395 HydrophobicContact CG1-CD1 3.95Å; V391-L395 HydrophobicContact CG1-CG 4.4Å; V391-L395 WeakPolarHBondContact O-CB 3.45Å; V391-L395 VanDerWaalsContact O-CG 3.25Å; V391-L395 WeakPolarHBondContact O-CG 3.17Å; V391-L395 PolarHBondContact O-N 2.97Å; V391-V445 HydrophobicContact CG1-CB 4.46Å; V391-V445 HydrophobicContact CG1-CG1 4.24Å; V391-V445 HydrophobicContact CG1-CG2 4.07Å; V391-L489 HydrophobicContact CB-CD2 4.49Å; V391-L489 HydrophobicContact CG2-CD2 3.61Å |
| 392 | A | 81.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -51.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V387 G388 P389 E390 F394 L395 E396 V419 D421 | V387-A392 HydrophobicContact CG2-CB 3.9Å; G388-A392 PolarHBondContact O-N 3.48Å; P389-A392 WeakPolarHBondContact O-CB 3.1Å; P389-A392 PolarHBondContact O-N 3.39Å; E390-A392 VanDerWaalsContact C-N 3.34Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.04Å; A392-L395 PolarHBondContact O-N 2.82Å; A392-L395 VanDerWaalsContact O-N 3.13Å; A392-E396 PolarHBondContact O-N 2.62Å; A392-V419 HydrophobicContact CB-CG1 3.66Å; A392-D421 WeakPolarHBondContact CB-O 3.37Å |
| 393 | L | 81.6 | Confident | 81.6 | Confident | 121 Ų | 121 | 60 Ų | 60 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58 | -41.8 | 175.8 | -68.8 | 168.4 | 0 | 0 | 0 | 112 | P389 E390 E396 R397 | P389-L393 WeakPolarHBondContact O-CG 3.2Å; P389-L393 PolarHBondContact O-N 2.89Å; E390-L393 PolarHBondContact O-N 3.11Å; L393-E396 PolarHBondContact O-N 2.8Å; L393-R397 PolarHBondContact O-N 3.29Å |
| 394 | F | 83.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.2 | -179.1 | -111.3 | 0 | 0 | 0 | 113 | E390 A392 E396 V400 V445 L489 L491 | E390-F394 WeakPolarHBondContact O-CB 3.23Å; E390-F394 PolarHBondContact O-N 3.22Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.04Å; F394-E396 VanDerWaalsContact C-N 3.33Å; F394-V400 HydrophobicContact CD1-CG1 4.39Å; F394-V400 HydrophobicContact CD2-CG2 4.13Å; F394-V400 HydrophobicContact CE1-CG1 4.09Å; F394-V400 HydrophobicContact CE1-CG2 4.36Å; F394-V400 HydrophobicContact CE2-CG2 3.62Å; F394-V400 HydrophobicContact CZ-CG1 4.26Å; F394-V400 HydrophobicContact CZ-CG2 3.75Å; F394-V400 WeakPolarHBondContact O-CB 3.04Å; F394-V400 WeakPolarHBondContact O-CG1 3.18Å; F394-V445 HydrophobicContact CD1-CG1 4.24Å; F394-V445 HydrophobicContact CD1-CG2 4.29Å; F394-V445 HydrophobicContact CE1-CG1 4.42Å; F394-V445 HydrophobicContact CE1-CG2 4.45Å; F394-L489 HydrophobicContact CG-CB 4.47Å; F394-L491 HydrophobicContact CE1-CD2 4.13Å; F394-L491 HydrophobicContact CE1-CG 4.44Å; F394-L491 HydrophobicContact CZ-CD2 4.46Å; F394-L491 HydrophobicContact CZ-CG 4.28Å |
| 395 | L | 81.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76 | -17.8 | 177.1 | -73.1 | 173.7 | 0 | 0 | 0 | 113.8 | V391 A392 V400 L404 F417 V419 V424 V445 | V391-L395 HydrophobicContact CG1-CD1 3.95Å; V391-L395 HydrophobicContact CG1-CG 4.4Å; V391-L395 WeakPolarHBondContact O-CB 3.45Å; V391-L395 VanDerWaalsContact O-CG 3.25Å; V391-L395 WeakPolarHBondContact O-CG 3.17Å; V391-L395 PolarHBondContact O-N 2.97Å; A392-L395 PolarHBondContact O-N 2.82Å; A392-L395 VanDerWaalsContact O-N 3.13Å; L395-V400 HydrophobicContact CD2-CG1 4.42Å; L395-L404 HydrophobicContact CD2-CD1 3.43Å; L395-L404 VanDerWaalsContact CD2-CD1 3.43Å; L395-F417 HydrophobicContact CB-CE2 4.42Å; L395-V419 HydrophobicContact CB-CG2 3.84Å; L395-V424 HydrophobicContact CD1-CG2 3.91Å; L395-V445 HydrophobicContact CD1-CG2 4.28Å; L395-V445 HydrophobicContact CD2-CG2 3.8Å; L395-V445 HydrophobicContact CG-CG2 4.09Å |
| 396 | E | 82.4 | Confident | 81.5 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.6 | -31.2 | 176.7 | -178.2 | 148.8 | -126.4 | 0 | 0 | 113.2 | A392 L393 F394 E398 K401 V419 | A392-E396 PolarHBondContact O-N 2.62Å; L393-E396 PolarHBondContact O-N 2.8Å; F394-E396 VanDerWaalsContact C-N 3.33Å; E396-E398 PolarHBondContact O-N 2.81Å; E396-K401 WeakPolarHBondContact O-CD 3.49Å; E396-V419 HydrophobicContact CB-CB 4.29Å; E396-V419 HydrophobicContact CB-CG2 4.35Å |
| 397 | R | 81.2 | Confident | 81.3 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -47.4 | 134 | 176.2 | -89.7 | -168.8 | 164.8 | -172.1 | -1.4 | 112.4 | L393 D399 V400 K401 T475 | L393-R397 PolarHBondContact O-N 3.29Å; R397-D399 WeakPolarHBondContact CB-OD1 3.47Å; R397-D399 PolarHBondContact O-N 2.9Å; R397-V400 HydrophobicContact CB-CB 4.39Å; R397-V400 HydrophobicContact CB-CG2 4.33Å; R397-V400 PolarHBondContact O-N 2.87Å; R397-K401 WeakPolarHBondContact O-CB 3.43Å; R397-K401 PolarHBondContact O-N 3.16Å; R397-T475 PolarHBondContact NH1-O 2.88Å |
| 398 | E | 80.4 | Confident | 81.3 | Confident | 149 Ų | 149 | 51.3 Ų | 51.3 | 70% | 0.696 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.4 | -35.5 | -169 | -177.4 | 164.5 | -158.8 | 0 | 0 | 114.1 | E396 N402 | E396-E398 PolarHBondContact O-N 2.81Å; E398-N402 WeakPolarHBondContact CG-ND2 3.34Å; E398-N402 VanDerWaalsContact O-CB 3.25Å; E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 PolarHBondContact O-N 3.32Å; E398-N402 PolarHBondContact O-ND2 3.45Å |
| 399 | D | 81 | Confident | 81.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.3 | -55.6 | 175.3 | 65.1 | -36.8 | 0 | 0 | 0 | 110.9 | R397 K401 N402 H403 Y474 | R397-D399 WeakPolarHBondContact CB-OD1 3.47Å; R397-D399 PolarHBondContact O-N 2.9Å; D399-K401 VanDerWaalsContact C-N 3.33Å; D399-K401 PolarHBondContact O-N 2.98Å; D399-N402 PolarHBondContact O-N 3.27Å; D399-H403 WeakPolarHBondContact O-CB 3.45Å; D399-H403 PolarHBondContact O-N 3.2Å; D399-Y474 HydrophobicContact CB-CD1 4.48Å; D399-Y474 HydrophobicContact CB-CE1 4.05Å; D399-Y474 WeakPolarHBondContact O-CE1 3.14Å; D399-Y474 PolarHBondContact OD2-N 3.23Å |
| 400 | V | 82.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 178 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | F394 L395 R397 H403 L404 Y474 L491 | F394-V400 HydrophobicContact CD1-CG1 4.39Å; F394-V400 HydrophobicContact CD2-CG2 4.13Å; F394-V400 HydrophobicContact CE1-CG1 4.09Å; F394-V400 HydrophobicContact CE1-CG2 4.36Å; F394-V400 HydrophobicContact CE2-CG2 3.62Å; F394-V400 HydrophobicContact CZ-CG1 4.26Å; F394-V400 HydrophobicContact CZ-CG2 3.75Å; F394-V400 WeakPolarHBondContact O-CB 3.04Å; F394-V400 WeakPolarHBondContact O-CG1 3.18Å; L395-V400 HydrophobicContact CD2-CG1 4.42Å; R397-V400 HydrophobicContact CB-CB 4.39Å; R397-V400 HydrophobicContact CB-CG2 4.33Å; R397-V400 PolarHBondContact O-N 2.87Å; V400-H403 PolarHBondContact O-N 3.01Å; V400-L404 HydrophobicContact CG1-CD1 3.79Å; V400-L404 HydrophobicContact CG1-CG 4.43Å; V400-L404 WeakPolarHBondContact O-CB 3.31Å; V400-L404 VanDerWaalsContact O-CG 3.31Å; V400-L404 WeakPolarHBondContact O-CG 3.03Å; V400-L404 PolarHBondContact O-N 2.98Å; V400-Y474 HydrophobicContact CG2-CD1 4.13Å; V400-L491 HydrophobicContact CG1-CD2 4.18Å |
| 401 | K | 81.6 | Confident | 81.2 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | -178.7 | -170.1 | 171.2 | -174.3 | 172.1 | 0 | 112.2 | E396 R397 D399 L405 F417 | E396-K401 WeakPolarHBondContact O-CD 3.49Å; R397-K401 WeakPolarHBondContact O-CB 3.43Å; R397-K401 PolarHBondContact O-N 3.16Å; D399-K401 VanDerWaalsContact C-N 3.33Å; D399-K401 PolarHBondContact O-N 2.98Å; K401-L405 HydrophobicContact CG-CD1 4.46Å; K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.24Å; K401-L405 WeakPolarHBondContact O-CG 3.39Å; K401-L405 PolarHBondContact O-N 2.73Å; K401-L405 VanDerWaalsContact O-N 3.09Å; K401-F417 HydrophobicContact CB-CZ 4.37Å; K401-F417 HydrophobicContact CG-CE2 4.31Å; K401-F417 HydrophobicContact CG-CZ 4.02Å |
| 402 | N | 81.9 | Confident | 80.9 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 176.9 | -78.2 | -41.2 | 0 | 0 | 0 | 112.1 | E398 D399 L405 Q406 | E398-N402 WeakPolarHBondContact CG-ND2 3.34Å; E398-N402 VanDerWaalsContact O-CB 3.25Å; E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 PolarHBondContact O-N 3.32Å; E398-N402 PolarHBondContact O-ND2 3.45Å; D399-N402 PolarHBondContact O-N 3.27Å; N402-L405 PolarHBondContact O-N 3.34Å; N402-Q406 WeakPolarHBondContact O-CB 3.32Å; N402-Q406 PolarHBondContact O-N 2.76Å |
| 403 | H | 82.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 71.4 Ų | 71.4 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 175.6 | -173.1 | 102.1 | 0 | 0 | 0 | 111.6 | D399 V400 L405 Q406 T407 Y474 | D399-H403 WeakPolarHBondContact O-CB 3.45Å; D399-H403 PolarHBondContact O-N 3.2Å; V400-H403 PolarHBondContact O-N 3.01Å; H403-L405 VanDerWaalsContact C-N 3.33Å; H403-L405 PolarHBondContact O-N 3.35Å; H403-Q406 WeakPolarHBondContact O-CA 3.45Å; H403-Q406 WeakPolarHBondContact O-CB 3.44Å; H403-Q406 PolarHBondContact O-N 2.88Å; H403-T407 PolarHBondContact CD2-OG1 3.13Å; H403-T407 PolarHBondContact O-N 2.92Å; H403-T407 PolarHBondContact O-OG1 2.88Å; H403-Y474 HydrophobicContact CB-CD1 4.34Å; H403-Y474 HydrophobicContact CB-CE1 3.56Å; H403-Y474 AromaticContact CG-CE1 3.95Å; H403-Y474 AromaticContact ND1-CZ 3.9Å |
| 404 | L | 83.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | -180 | -73.4 | 172.9 | 0 | 0 | 0 | 112.9 | L395 V400 T407 L408 F417 L441 Q444 L491 | L395-L404 HydrophobicContact CD2-CD1 3.43Å; L395-L404 VanDerWaalsContact CD2-CD1 3.43Å; V400-L404 HydrophobicContact CG1-CD1 3.79Å; V400-L404 HydrophobicContact CG1-CG 4.43Å; V400-L404 WeakPolarHBondContact O-CB 3.31Å; V400-L404 VanDerWaalsContact O-CG 3.31Å; V400-L404 WeakPolarHBondContact O-CG 3.03Å; V400-L404 PolarHBondContact O-N 2.98Å; L404-T407 PolarHBondContact O-N 3.44Å; L404-L408 WeakPolarHBondContact O-CB 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.32Å; L404-L408 PolarHBondContact O-N 3.45Å; L404-F417 HydrophobicContact CB-CE1 3.81Å; L404-F417 HydrophobicContact CB-CZ 4.1Å; L404-F417 HydrophobicContact CD1-CE1 4.44Å; L404-F417 HydrophobicContact CD1-CZ 4.01Å; L404-L441 HydrophobicContact CB-CD2 4.01Å; L404-L441 HydrophobicContact CD1-CD2 3.98Å; L404-L441 HydrophobicContact CD2-CD2 4.3Å; L404-L441 HydrophobicContact CG-CD2 4.34Å; L404-Q444 HydrophobicContact CD2-CB 3.74Å; L404-Q444 HydrophobicContact CD2-CG 3.98Å; L404-L491 HydrophobicContact CD1-CD2 4.19Å; L404-L491 HydrophobicContact CD2-CD2 3.9Å; L404-L491 HydrophobicContact CG-CD2 4.15Å |
| 405 | L | 81.7 | Confident | 80 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 173.5 | -70.3 | 173 | 0 | 0 | 0 | 112.3 | K401 N402 H403 L408 T409 L416 F417 | K401-L405 HydrophobicContact CG-CD1 4.46Å; K401-L405 WeakPolarHBondContact O-CB 3.42Å; K401-L405 VanDerWaalsContact O-CG 3.24Å; K401-L405 WeakPolarHBondContact O-CG 3.39Å; K401-L405 PolarHBondContact O-N 2.73Å; K401-L405 VanDerWaalsContact O-N 3.09Å; N402-L405 PolarHBondContact O-N 3.34Å; H403-L405 VanDerWaalsContact C-N 3.33Å; H403-L405 PolarHBondContact O-N 3.35Å; L405-L408 HydrophobicContact CD2-CD1 4.4Å; L405-T409 WeakPolarHBondContact O-CB 3.49Å; L405-T409 PolarHBondContact O-N 3.35Å; L405-T409 VanDerWaalsContact O-N 3.08Å; L405-T409 PolarHBondContact O-OG1 2.73Å; L405-L416 HydrophobicContact CD1-CD1 4.05Å; L405-L416 HydrophobicContact CD2-CD1 4Å; L405-F417 HydrophobicContact CD2-CD1 3.69Å; L405-F417 HydrophobicContact CD2-CE1 3.98Å; L405-F417 HydrophobicContact CG-CD1 4.17Å; L405-F417 HydrophobicContact CG-CE1 3.93Å |
| 406 | Q | 79.6 | Confident | 79.9 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 173.3 | -165.6 | -177.6 | 23.7 | 0 | 0 | 111.2 | N402 H403 T409 Q410 | N402-Q406 WeakPolarHBondContact O-CB 3.32Å; N402-Q406 PolarHBondContact O-N 2.76Å; H403-Q406 WeakPolarHBondContact O-CA 3.45Å; H403-Q406 WeakPolarHBondContact O-CB 3.44Å; H403-Q406 PolarHBondContact O-N 2.88Å; Q406-T409 WeakPolarHBondContact O-CB 3.34Å; Q406-T409 PolarHBondContact O-N 2.73Å; Q406-Q410 WeakPolarHBondContact O-CG 3.19Å; Q406-Q410 PolarHBondContact O-N 2.66Å |
| 407 | T | 80.2 | Confident | 79.8 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -40.7 | 178.1 | -43.8 | 0 | 0 | 0 | 0 | 112.3 | H403 L404 T409 Q410 R411 F440 | H403-T407 PolarHBondContact CD2-OG1 3.13Å; H403-T407 PolarHBondContact O-N 2.92Å; H403-T407 PolarHBondContact O-OG1 2.88Å; L404-T407 PolarHBondContact O-N 3.44Å; T407-T409 VanDerWaalsContact C-N 3.33Å; T407-T409 PolarHBondContact O-N 3.28Å; T407-Q410 PolarHBondContact O-N 2.92Å; T407-R411 WeakPolarHBondContact O-CB 3.47Å; T407-R411 WeakPolarHBondContact O-CG 3.43Å; T407-R411 PolarHBondContact O-N 3.25Å; T407-F440 HydrophobicContact CG2-CE1 4.32Å; T407-F440 HydrophobicContact CG2-CZ 3.77Å |
| 408 | L | 82.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 171.5 | -83.5 | 168.4 | 0 | 0 | 0 | 111.4 | L404 L405 R411 R412 L413 F417 A437 F440 L441 | L404-L408 WeakPolarHBondContact O-CB 3.3Å; L404-L408 WeakPolarHBondContact O-CG 3.32Å; L404-L408 PolarHBondContact O-N 3.45Å; L405-L408 HydrophobicContact CD2-CD1 4.4Å; L408-R411 PolarHBondContact O-N 3.08Å; L408-R412 PolarHBondContact O-N 3.11Å; L408-L413 CarbonylContact C-O 3.57Å; L408-L413 HydrophobicContact CD2-CB 3.91Å; L408-L413 HydrophobicContact CD2-CD1 4.2Å; L408-L413 PolarHBondContact O-N 2.91Å; L408-F417 HydrophobicContact CD1-CD1 4.38Å; L408-A437 HydrophobicContact CD2-CB 3.7Å; L408-F440 HydrophobicContact CD2-CD1 3.56Å; L408-F440 HydrophobicContact CD2-CE1 4.1Å; L408-F440 HydrophobicContact CD2-CG 4.47Å; L408-F440 HydrophobicContact CG-CD1 4Å; L408-F440 HydrophobicContact CG-CE1 4.1Å; L408-L441 HydrophobicContact CD1-CD1 4.28Å; L408-L441 HydrophobicContact CD1-CD2 4.14Å; L408-L441 HydrophobicContact CD1-CG 4.29Å |
| 409 | T | 78.8 | Confident | 79.9 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 61% | 0.613 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.9 | -46.9 | 177.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | L405 Q406 T407 R411 R412 | L405-T409 WeakPolarHBondContact O-CB 3.49Å; L405-T409 PolarHBondContact O-N 3.35Å; L405-T409 VanDerWaalsContact O-N 3.08Å; L405-T409 PolarHBondContact O-OG1 2.73Å; Q406-T409 WeakPolarHBondContact O-CB 3.34Å; Q406-T409 PolarHBondContact O-N 2.73Å; T407-T409 VanDerWaalsContact C-N 3.33Å; T407-T409 PolarHBondContact O-N 3.28Å; T409-R411 VanDerWaalsContact C-N 3.31Å; T409-R411 PolarHBondContact O-N 3.43Å; T409-R412 PolarHBondContact O-N 2.86Å |
| 410 | Q | 78.9 | Confident | 79.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.7 | -39.2 | 175.9 | -71.8 | 174.9 | 5.3 | 0 | 0 | 112.5 | Q406 T407 R412 | Q406-Q410 WeakPolarHBondContact O-CG 3.19Å; Q406-Q410 PolarHBondContact O-N 2.66Å; T407-Q410 PolarHBondContact O-N 2.92Å; Q410-R412 PolarHBondContact O-N 2.81Å |
| 411 | R | 77.6 | Confident | 79.4 | Confident | 150 Ų | 150 | 64.5 Ų | 64.5 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 4.7 | 176.5 | -71.4 | -178.2 | 176.7 | -132.7 | 0.9 | 114.2 | T407 L408 T409 L413 | T407-R411 WeakPolarHBondContact O-CB 3.47Å; T407-R411 WeakPolarHBondContact O-CG 3.43Å; T407-R411 PolarHBondContact O-N 3.25Å; L408-R411 PolarHBondContact O-N 3.08Å; T409-R411 VanDerWaalsContact C-N 3.31Å; T409-R411 PolarHBondContact O-N 3.43Å; R411-L413 PolarHBondContact O-N 3.02Å |
| 412 | R | 75.2 | Confident | 79.4 | Confident | 223 Ų | 223 | 64 Ų | 64 | 84% | 0.842 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 32.1 | -175.8 | -54.1 | -178.6 | 179 | -178.6 | -1.2 | 113.4 | L408 T409 Q410 P414 | L408-R412 PolarHBondContact O-N 3.11Å; T409-R412 PolarHBondContact O-N 2.86Å; Q410-R412 PolarHBondContact O-N 2.81Å; R412-P414 VanDerWaalsContact C-CD 3.46Å; R412-P414 WeakPolarHBondContact O-CD 3.44Å |
| 413 | L | 78.1 | Confident | 79.4 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | trans | -107.2 | 83.8 | 171.4 | -64.8 | 175.2 | 0 | 0 | 0 | 108.6 | L408 R411 A415 V433 Q436 | L408-L413 CarbonylContact C-O 3.57Å; L408-L413 HydrophobicContact CD2-CB 3.91Å; L408-L413 HydrophobicContact CD2-CD1 4.2Å; L408-L413 PolarHBondContact O-N 2.91Å; R411-L413 PolarHBondContact O-N 3.02Å; L413-A415 VanDerWaalsContact C-N 3.28Å; L413-A415 PolarHBondContact O-N 3.42Å; L413-V433 HydrophobicContact CB-CG1 4.38Å; L413-V433 HydrophobicContact CD2-CG1 4.04Å; L413-Q436 HydrophobicContact CD2-CB 4.25Å | ||
| 414 | P | 72.8 | Confident | 79.4 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | trans | -70.9 | 85 | 179.1 | 30.2 | -36 | 0 | 0 | 0 | 110.4 | R412 S428 | R412-P414 VanDerWaalsContact C-CD 3.46Å; R412-P414 WeakPolarHBondContact O-CD 3.44Å; P414-S428 WeakPolarHBondContact O-CB 3.41Å; P414-S428 PolarHBondContact O-OG 2.81Å | ||
| 415 | A | 75.9 | Confident | 79.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | trans | -128.8 | 141.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L413 V426 T427 A437 | L413-A415 VanDerWaalsContact C-N 3.28Å; L413-A415 PolarHBondContact O-N 3.42Å; A415-V426 HydrophobicContact CB-CG1 3.95Å; A415-T427 VanDerWaalsContact CA-O 3.23Å; A415-T427 WeakPolarHBondContact CA-O 3.49Å; A415-A437 HydrophobicContact CB-CB 3.45Å; A415-A437 VanDerWaalsContact CB-CB 3.45Å | ||
| 416 | L | 79.3 | Confident | 79.4 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 141 | 169.9 | -171.3 | 71.7 | 0 | 0 | 0 | 107.9 | I326 A329 L405 V426 T427 | I326-L416 HydrophobicContact CG2-CD2 4.13Å; A329-L416 HydrophobicContact CB-CD2 3.61Å; L405-L416 HydrophobicContact CD1-CD1 4.05Å; L405-L416 HydrophobicContact CD2-CD1 4Å; L416-V426 WeakPolarHBondContact O-CA 3.38Å; L416-T427 PolarHBondContact N-O 3.05Å; L416-T427 PolarHBondContact O-N 2.72Å; L416-T427 PolarHBondContact O-OG1 3.17Å |
| 417 | F | 81.8 | Confident | 79.3 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.1 | 172.9 | 77.4 | -89.3 | 0 | 0 | 0 | 112.2 | L395 K401 L404 L405 L408 V419 V424 S425 V426 L441 | L395-F417 HydrophobicContact CB-CE2 4.42Å; K401-F417 HydrophobicContact CB-CZ 4.37Å; K401-F417 HydrophobicContact CG-CE2 4.31Å; K401-F417 HydrophobicContact CG-CZ 4.02Å; L404-F417 HydrophobicContact CB-CE1 3.81Å; L404-F417 HydrophobicContact CB-CZ 4.1Å; L404-F417 HydrophobicContact CD1-CE1 4.44Å; L404-F417 HydrophobicContact CD1-CZ 4.01Å; L405-F417 HydrophobicContact CD2-CD1 3.69Å; L405-F417 HydrophobicContact CD2-CE1 3.98Å; L405-F417 HydrophobicContact CG-CD1 4.17Å; L405-F417 HydrophobicContact CG-CE1 3.93Å; L408-F417 HydrophobicContact CD1-CD1 4.38Å; F417-V419 HydrophobicContact CD2-CG2 4.39Å; F417-V419 HydrophobicContact CE2-CG2 4.3Å; F417-V424 HydrophobicContact CB-CG1 4.3Å; F417-V424 HydrophobicContact CD2-CG1 4.06Å; F417-S425 CarbonylContact C-O 3.58Å; F417-S425 WeakPolarHBondContact CA-O 3.44Å; F417-S425 WeakPolarHBondContact CB-O 3.48Å; F417-V426 HydrophobicContact CB-CG2 4.04Å; F417-L441 HydrophobicContact CB-CD1 3.75Å; F417-L441 HydrophobicContact CD1-CD1 3.71Å; F417-L441 HydrophobicContact CD1-CD2 3.84Å; F417-L441 HydrophobicContact CD1-CG 4.45Å; F417-L441 HydrophobicContact CD2-CD1 4.47Å; F417-L441 HydrophobicContact CE1-CD1 4.41Å; F417-L441 HydrophobicContact CE1-CD2 3.69Å; F417-L441 HydrophobicContact CG-CD1 3.74Å; F417-L441 HydrophobicContact CG-CD2 4.44Å; F417-L441 HydrophobicContact CZ-CD2 4.18Å |
| 418 | V | 80.1 | Confident | 79.3 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.7 | 174.3 | 172 | 0 | 0 | 0 | 0 | 108 | I326 S425 | I326-V418 HydrophobicContact CD1-CB 4.06Å; I326-V418 HydrophobicContact CD1-CG2 4.42Å; I326-V418 HydrophobicContact CG1-CB 4.13Å; I326-V418 HydrophobicContact CG1-CG2 4Å; I326-V418 HydrophobicContact CG2-CG2 4.09Å; V418-S425 PolarHBondContact N-O 3.32Å; V418-S425 PolarHBondContact O-N 3.13Å; V418-S425 PolarHBondContact O-OG 3.44Å |
| 419 | V | 81.8 | Confident | 79 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.9 | 172.6 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | A392 L395 E396 F417 V424 | A392-V419 HydrophobicContact CB-CG1 3.66Å; L395-V419 HydrophobicContact CB-CG2 3.84Å; E396-V419 HydrophobicContact CB-CB 4.29Å; E396-V419 HydrophobicContact CB-CG2 4.35Å; F417-V419 HydrophobicContact CD2-CG2 4.39Å; F417-V419 HydrophobicContact CE2-CG2 4.3Å; V419-V424 HydrophobicContact CG2-CG2 4.44Å |
| 420 | S | 77.4 | Confident | 79 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 44% | 0.441 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 118.8 | 169.1 | -56 | 0 | 0 | 0 | 0 | 108.1 | S422 T423 | S420-S422 PolarHBondContact O-N 2.73Å; S420-T423 PolarHBondContact N-O 3.18Å; S420-T423 PolarHBondContact O-N 2.75Å |
| 421 | D | 77 | Confident | 79 | Confident | 156 Ų | 156 | 54.5 Ų | 54.5 | 83% | 0.834 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -87.3 | -173 | -45.7 | -43.8 | 0 | 0 | 0 | 113.9 | A392 | A392-D421 WeakPolarHBondContact CB-O 3.37Š|
| 422 | S | 80.8 | Confident | 79 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 15.6 | 176.4 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | T386 V387 S420 | T386-S422 WeakPolarHBondContact CA-O 3.48Å; V387-S422 PolarHBondContact N-O 3.17Å; S420-S422 PolarHBondContact O-N 2.73Å |
| 423 | T | 81.5 | Confident | 79.2 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 31% | 0.307 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.4 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | R384 S420 | R384-T423 HydrophobicContact CB-CG2 3.98Å; R384-T423 HydrophobicContact CG-CG2 4.33Å; S420-T423 PolarHBondContact N-O 3.18Å; S420-T423 PolarHBondContact O-N 2.75Å |
| 424 | V | 83.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 118.9 | 168.4 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | R384 F385 V387 L395 F417 V419 V426 | R384-V424 WeakPolarHBondContact CA-O 3.4Å; F385-V424 HydrophobicContact CD1-CB 4.18Å; F385-V424 HydrophobicContact CD2-CB 4.27Å; F385-V424 HydrophobicContact CE1-CB 3.73Å; F385-V424 HydrophobicContact CE1-CG1 3.71Å; F385-V424 HydrophobicContact CE2-CB 3.84Å; F385-V424 HydrophobicContact CE2-CG1 4.4Å; F385-V424 HydrophobicContact CE2-CG2 3.91Å; F385-V424 HydrophobicContact CG-CB 4.45Å; F385-V424 HydrophobicContact CZ-CB 3.56Å; F385-V424 HydrophobicContact CZ-CG1 3.64Å; F385-V424 HydrophobicContact CZ-CG2 3.97Å; F385-V424 PolarHBondContact N-O 2.9Å; F385-V424 PolarHBondContact O-N 2.93Å; V387-V424 HydrophobicContact CG1-CG2 3.99Å; V387-V424 HydrophobicContact CG2-CG2 3.9Å; L395-V424 HydrophobicContact CD1-CG2 3.91Å; F417-V424 HydrophobicContact CB-CG1 4.3Å; F417-V424 HydrophobicContact CD2-CG1 4.06Å; V419-V424 HydrophobicContact CG2-CG2 4.44Å; V424-V426 HydrophobicContact CG1-CG2 4.19Å |
| 425 | S | 80.5 | Confident | 79.6 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134 | 174.1 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | I326 E382 F417 V418 | I326-S425 WeakPolarHBondContact CD1-OG 3.26Å; E382-S425 WeakPolarHBondContact OE1-CB 3.18Å; F417-S425 CarbonylContact C-O 3.58Å; F417-S425 WeakPolarHBondContact CA-O 3.44Å; F417-S425 WeakPolarHBondContact CB-O 3.48Å; V418-S425 PolarHBondContact N-O 3.32Å; V418-S425 PolarHBondContact O-N 3.13Å; V418-S425 PolarHBondContact O-OG 3.44Å |
| 426 | V | 83.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.3 | -176 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | E382 T383 F385 A415 L416 F417 V424 A437 L441 | E382-V426 CarbonylContact C-O 3.41Å; E382-V426 WeakPolarHBondContact CA-O 3.49Å; T383-V426 PolarHBondContact N-O 3.43Å; T383-V426 PolarHBondContact O-N 3.3Å; F385-V426 HydrophobicContact CD1-CG2 4.43Å; F385-V426 HydrophobicContact CE1-CG2 3.84Å; A415-V426 HydrophobicContact CB-CG1 3.95Å; L416-V426 WeakPolarHBondContact O-CA 3.38Å; F417-V426 HydrophobicContact CB-CG2 4.04Å; V424-V426 HydrophobicContact CG1-CG2 4.19Å; V426-A437 HydrophobicContact CG1-CB 3.81Å; V426-L441 HydrophobicContact CG1-CD1 4.49Å; V426-L441 HydrophobicContact CG2-CD1 3.81Å |
| 427 | T | 78.8 | Confident | 80 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.3 | -175.6 | 54 | 0 | 0 | 0 | 0 | 112.7 | I326 I380 A381 E382 A415 L416 | I326-T427 HydrophobicContact CB-CG2 4.26Å; I326-T427 HydrophobicContact CG2-CG2 3.68Å; I326-T427 VanDerWaalsContact CG2-OG1 3.29Å; I326-T427 WeakPolarHBondContact CG2-OG1 3.22Å; I380-T427 HydrophobicContact CG2-CG2 4.18Å; A381-T427 WeakPolarHBondContact O-CA 3.39Å; E382-T427 HydrophobicContact CB-CG2 4.15Å; E382-T427 HydrophobicContact CG-CG2 3.95Å; A415-T427 VanDerWaalsContact CA-O 3.23Å; A415-T427 WeakPolarHBondContact CA-O 3.49Å; L416-T427 PolarHBondContact N-O 3.05Å; L416-T427 PolarHBondContact O-N 2.72Å; L416-T427 PolarHBondContact O-OG1 3.17Å |
| 428 | S | 79.8 | Confident | 80 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 162.3 | 176 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | A381 P414 S430 V433 | A381-S428 PolarHBondContact N-O 3.32Å; A381-S428 PolarHBondContact O-N 3.35Å; P414-S428 WeakPolarHBondContact O-CB 3.41Å; P414-S428 PolarHBondContact O-OG 2.81Å; S428-S430 PolarHBondContact O-N 2.85Å; S428-V433 WeakPolarHBondContact OG-CG1 3.39Å |
| 429 | L | 76.1 | Confident | 80.1 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -65.3 | -5.5 | 175.6 | -71.8 | 177.1 | 0 | 0 | 0 | 114.9 | W330 F376 I380 | W330-L429 HydrophobicContact CE3-CD2 4.46Å; W330-L429 HydrophobicContact CH2-CD1 3.43Å; W330-L429 VanDerWaalsContact CH2-CD1 3.43Å; W330-L429 HydrophobicContact CH2-CD2 3.92Å; W330-L429 HydrophobicContact CH2-CG 3.33Å; W330-L429 HydrophobicContact CZ2-CD1 4.27Å; W330-L429 HydrophobicContact CZ2-CG 3.88Å; W330-L429 HydrophobicContact CZ3-CD1 3.96Å; W330-L429 HydrophobicContact CZ3-CD2 3.74Å; W330-L429 HydrophobicContact CZ3-CG 3.72Å; F376-L429 HydrophobicContact CE2-CD2 4.03Å; I380-L429 HydrophobicContact CG1-CD2 4.49Å |
| 430 | S | 79.2 | Confident | 80.2 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -141.6 | 127.4 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | S428 K432 V433 A434 | S428-S430 PolarHBondContact O-N 2.85Å; S430-K432 PolarHBondContact O-N 3.39Å; S430-V433 WeakPolarHBondContact O-CA 3.31Å; S430-V433 WeakPolarHBondContact O-CB 3.12Å; S430-V433 PolarHBondContact O-N 3.28Å; S430-A434 PolarHBondContact O-N 3.29Å |
| 431 | K | 77.4 | Confident | 80.5 | Confident | 133 Ų | 133 | 47.2 Ų | 47.2 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -54.8 | -39.6 | 176.7 | -172 | 174.2 | 179.7 | 174.6 | 0 | 111.7 | A381 V433 A434 D435 | A381-K431 HydrophobicContact CB-CB 3.78Å; A381-K431 HydrophobicContact CB-CG 4.47Å; K431-V433 VanDerWaalsContact C-N 3.26Å; K431-V433 PolarHBondContact O-N 3.37Å; K431-A434 PolarHBondContact O-N 3Å; K431-D435 WeakPolarHBondContact O-CB 3.26Å; K431-D435 PolarHBondContact O-N 2.87Å |
| 432 | K | 77.9 | Confident | 80.7 | Confident | 145 Ų | 145 | 46 Ų | 46 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.7 | -33.5 | 175.9 | -172.4 | 176.3 | -179.7 | -179.6 | 0 | 112.9 | S430 Q436 | S430-K432 PolarHBondContact O-N 3.39Å; K432-Q436 VanDerWaalsContact O-CB 3.3Å; K432-Q436 WeakPolarHBondContact O-CB 3.3Å; K432-Q436 WeakPolarHBondContact O-CG 3.3Å; K432-Q436 PolarHBondContact O-N 3.09Å; K432-Q436 VanDerWaalsContact O-N 3.11Å; K432-Q436 PolarHBondContact O-OE1 3.16Å |
| 433 | V | 80.2 | Confident | 80.7 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -79.5 | -38.5 | 177 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | L413 S428 S430 K431 Q436 A437 | L413-V433 HydrophobicContact CB-CG1 4.38Å; L413-V433 HydrophobicContact CD2-CG1 4.04Å; S428-V433 WeakPolarHBondContact OG-CG1 3.39Å; S430-V433 WeakPolarHBondContact O-CA 3.31Å; S430-V433 WeakPolarHBondContact O-CB 3.12Å; S430-V433 PolarHBondContact O-N 3.28Å; K431-V433 VanDerWaalsContact C-N 3.26Å; K431-V433 PolarHBondContact O-N 3.37Å; V433-Q436 PolarHBondContact O-N 3.22Å; V433-A437 VanDerWaalsContact O-CB 3.22Å; V433-A437 WeakPolarHBondContact O-CB 3.27Å; V433-A437 PolarHBondContact O-N 3.09Å |
| 434 | A | 80.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S430 K431 A437 G438 | S430-A434 PolarHBondContact O-N 3.29Å; K431-A434 PolarHBondContact O-N 3Å; A434-A437 PolarHBondContact O-N 3.31Å; A434-G438 PolarHBondContact O-N 3.48Å |
| 435 | D | 79.1 | Confident | 80.7 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 174.9 | -65.9 | -24.2 | 0 | 0 | 0 | 111.3 | T383 K431 G438 I439 | T383-D435 VanDerWaalsContact CG2-OD1 3.25Å; T383-D435 WeakPolarHBondContact CG2-OD1 3.27Å; T383-D435 PolarHBondContact OG1-OD1 3.3Å; K431-D435 WeakPolarHBondContact O-CB 3.26Å; K431-D435 PolarHBondContact O-N 2.87Å; D435-G438 PolarHBondContact O-N 2.84Å; D435-I439 WeakPolarHBondContact O-CB 3.47Å; D435-I439 VanDerWaalsContact O-CG1 3.28Å; D435-I439 WeakPolarHBondContact O-CG1 3.43Å; D435-I439 PolarHBondContact O-N 2.81Å |
| 436 | Q | 81.6 | Confident | 80.8 | Confident | 91 Ų | 91 | 48 Ų | 48 | 43% | 0.425 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.3 | -77.5 | 177.4 | -27.5 | 0 | 0 | 112.9 | L413 K432 V433 F440 | L413-Q436 HydrophobicContact CD2-CB 4.25Å; K432-Q436 VanDerWaalsContact O-CB 3.3Å; K432-Q436 WeakPolarHBondContact O-CB 3.3Å; K432-Q436 WeakPolarHBondContact O-CG 3.3Å; K432-Q436 PolarHBondContact O-N 3.09Å; K432-Q436 VanDerWaalsContact O-N 3.11Å; K432-Q436 PolarHBondContact O-OE1 3.16Å; V433-Q436 PolarHBondContact O-N 3.22Å; Q436-F440 VanDerWaalsContact O-CB 3.27Å; Q436-F440 WeakPolarHBondContact O-CB 3.44Å; Q436-F440 PolarHBondContact O-N 2.92Å |
| 437 | A | 82.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L408 A415 V426 V433 A434 F440 L441 | L408-A437 HydrophobicContact CD2-CB 3.7Å; A415-A437 HydrophobicContact CB-CB 3.45Å; A415-A437 VanDerWaalsContact CB-CB 3.45Å; V426-A437 HydrophobicContact CG1-CB 3.81Å; V433-A437 VanDerWaalsContact O-CB 3.22Å; V433-A437 WeakPolarHBondContact O-CB 3.27Å; V433-A437 PolarHBondContact O-N 3.09Å; A434-A437 PolarHBondContact O-N 3.31Å; A437-F440 WeakPolarHBondContact O-CB 3.36Å; A437-F440 PolarHBondContact O-N 2.73Å; A437-L441 WeakPolarHBondContact O-CB 3.15Å; A437-L441 VanDerWaalsContact O-CG 3.29Å; A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 2.96Å |
| 438 | G | 81.4 | Confident | 81 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A434 D435 F440 L441 K442 | A434-G438 PolarHBondContact O-N 3.48Å; D435-G438 PolarHBondContact O-N 2.84Å; G438-F440 VanDerWaalsContact C-N 3.29Å; G438-F440 PolarHBondContact O-N 2.71Å; G438-L441 PolarHBondContact O-N 2.99Å; G438-K442 WeakPolarHBondContact O-CB 3.33Å; G438-K442 PolarHBondContact O-N 3.46Å |
| 439 | I | 82.3 | Confident | 81.1 | Confident | 123 Ų | 123 | 56.7 Ų | 56.7 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 171.9 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | D435 S443 | D435-I439 WeakPolarHBondContact O-CB 3.47Å; D435-I439 VanDerWaalsContact O-CG1 3.28Å; D435-I439 WeakPolarHBondContact O-CG1 3.43Å; D435-I439 PolarHBondContact O-N 2.81Å; I439-S443 WeakPolarHBondContact O-CB 3.32Å; I439-S443 PolarHBondContact O-N 3.35Å; I439-S443 PolarHBondContact O-OG 3.35Å |
| 440 | F | 83.6 | Confident | 81.4 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -56.1 | 175.6 | 175.3 | -108 | 0 | 0 | 0 | 111.7 | T407 L408 Q436 A437 G438 K442 S443 Q444 | T407-F440 HydrophobicContact CG2-CE1 4.32Å; T407-F440 HydrophobicContact CG2-CZ 3.77Å; L408-F440 HydrophobicContact CD2-CD1 3.56Å; L408-F440 HydrophobicContact CD2-CE1 4.1Å; L408-F440 HydrophobicContact CD2-CG 4.47Å; L408-F440 HydrophobicContact CG-CD1 4Å; L408-F440 HydrophobicContact CG-CE1 4.1Å; Q436-F440 VanDerWaalsContact O-CB 3.27Å; Q436-F440 WeakPolarHBondContact O-CB 3.44Å; Q436-F440 PolarHBondContact O-N 2.92Å; A437-F440 WeakPolarHBondContact O-CB 3.36Å; A437-F440 PolarHBondContact O-N 2.73Å; G438-F440 VanDerWaalsContact C-N 3.29Å; G438-F440 PolarHBondContact O-N 2.71Å; F440-K442 VanDerWaalsContact C-N 3.34Å; F440-K442 PolarHBondContact O-N 3.46Å; F440-S443 CarbonylContact O-C 3.58Å; F440-S443 WeakPolarHBondContact O-CA 3.26Å; F440-S443 WeakPolarHBondContact O-CB 3.42Å; F440-S443 PolarHBondContact O-N 2.71Å; F440-S443 PolarHBondContact O-OG 3.32Å; F440-Q444 HydrophobicContact CD1-CG 4.12Å; F440-Q444 HydrophobicContact CD2-CG 4.03Å; F440-Q444 HydrophobicContact CE1-CG 3.68Å; F440-Q444 HydrophobicContact CE2-CG 3.55Å; F440-Q444 VanDerWaalsContact CE2-OE1 3.23Å; F440-Q444 HydrophobicContact CG-CG 4.3Å; F440-Q444 HydrophobicContact CZ-CG 3.38Å; F440-Q444 WeakPolarHBondContact O-CG 3.47Å; F440-Q444 PolarHBondContact O-N 3.37Å; F440-Q444 VanDerWaalsContact O-N 3.16Å |
| 441 | L | 83 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.6 | -45.9 | 179.9 | -72.6 | 165 | 0 | 0 | 0 | 112.1 | F385 L404 L408 F417 V426 A437 G438 S443 Q444 | F385-L441 HydrophobicContact CE1-CB 4.46Å; F385-L441 HydrophobicContact CZ-CB 4Å; L404-L441 HydrophobicContact CB-CD2 4.01Å; L404-L441 HydrophobicContact CD1-CD2 3.98Å; L404-L441 HydrophobicContact CD2-CD2 4.3Å; L404-L441 HydrophobicContact CG-CD2 4.34Å; L408-L441 HydrophobicContact CD1-CD1 4.28Å; L408-L441 HydrophobicContact CD1-CD2 4.14Å; L408-L441 HydrophobicContact CD1-CG 4.29Å; F417-L441 HydrophobicContact CB-CD1 3.75Å; F417-L441 HydrophobicContact CD1-CD1 3.71Å; F417-L441 HydrophobicContact CD1-CD2 3.84Å; F417-L441 HydrophobicContact CD1-CG 4.45Å; F417-L441 HydrophobicContact CD2-CD1 4.47Å; F417-L441 HydrophobicContact CE1-CD1 4.41Å; F417-L441 HydrophobicContact CE1-CD2 3.69Å; F417-L441 HydrophobicContact CG-CD1 3.74Å; F417-L441 HydrophobicContact CG-CD2 4.44Å; F417-L441 HydrophobicContact CZ-CD2 4.18Å; V426-L441 HydrophobicContact CG1-CD1 4.49Å; V426-L441 HydrophobicContact CG2-CD1 3.81Å; A437-L441 WeakPolarHBondContact O-CB 3.15Å; A437-L441 VanDerWaalsContact O-CG 3.29Å; A437-L441 WeakPolarHBondContact O-CG 3.38Å; A437-L441 PolarHBondContact O-N 2.96Å; G438-L441 PolarHBondContact O-N 2.99Å; L441-S443 PolarHBondContact O-N 3.32Å; L441-S443 VanDerWaalsContact O-N 3.11Å; L441-Q444 PolarHBondContact O-N 2.95Å |
| 442 | K | 81.1 | Confident | 81.3 | Confident | 130 Ų | 130 | 49.2 Ų | 49.2 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62 | -17.1 | 174.7 | -172.4 | 159.5 | -176 | 154 | 0 | 113.8 | F385 T386 G438 F440 | F385-K442 HydrophobicContact CD2-CB 4.24Å; F385-K442 HydrophobicContact CD2-CD 3.92Å; F385-K442 HydrophobicContact CD2-CG 4.43Å; F385-K442 HydrophobicContact CE2-CB 3.8Å; F385-K442 HydrophobicContact CE2-CD 4.28Å; F385-K442 HydrophobicContact CE2-CG 4.29Å; F385-K442 HydrophobicContact CZ-CB 4.15Å; T386-K442 PolarHBondContact O-NZ 3.49Å; G438-K442 WeakPolarHBondContact O-CB 3.33Å; G438-K442 PolarHBondContact O-N 3.46Å; F440-K442 VanDerWaalsContact C-N 3.34Å; F440-K442 PolarHBondContact O-N 3.46Å |
| 443 | S | 81.9 | Confident | 81.1 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 3.4 | 176.1 | 77.9 | 0 | 0 | 0 | 0 | 114.7 | I439 F440 L441 K492 | I439-S443 WeakPolarHBondContact O-CB 3.32Å; I439-S443 PolarHBondContact O-N 3.35Å; I439-S443 PolarHBondContact O-OG 3.35Å; F440-S443 CarbonylContact O-C 3.58Å; F440-S443 WeakPolarHBondContact O-CA 3.26Å; F440-S443 WeakPolarHBondContact O-CB 3.42Å; F440-S443 PolarHBondContact O-N 2.71Å; F440-S443 PolarHBondContact O-OG 3.32Å; L441-S443 PolarHBondContact O-N 3.32Å; L441-S443 VanDerWaalsContact O-N 3.11Å; S443-K492 WeakPolarHBondContact O-CD 3.38Å |
| 444 | Q | 81.9 | Confident | 80.4 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -17.4 | 178.5 | -67.9 | -54.5 | -106.2 | 0 | 0 | 114.6 | L404 F440 L441 L491 K492 | L404-Q444 HydrophobicContact CD2-CB 3.74Å; L404-Q444 HydrophobicContact CD2-CG 3.98Å; F440-Q444 HydrophobicContact CD1-CG 4.12Å; F440-Q444 HydrophobicContact CD2-CG 4.03Å; F440-Q444 HydrophobicContact CE1-CG 3.68Å; F440-Q444 HydrophobicContact CE2-CG 3.55Å; F440-Q444 VanDerWaalsContact CE2-OE1 3.23Å; F440-Q444 HydrophobicContact CG-CG 4.3Å; F440-Q444 HydrophobicContact CZ-CG 3.38Å; F440-Q444 WeakPolarHBondContact O-CG 3.47Å; F440-Q444 PolarHBondContact O-N 3.37Å; F440-Q444 VanDerWaalsContact O-N 3.16Å; L441-Q444 PolarHBondContact O-N 2.95Å; Q444-L491 WeakPolarHBondContact O-CA 3.01Å; Q444-K492 WeakPolarHBondContact O-CB 3.25Å; Q444-K492 PolarHBondContact O-N 2.85Å |
| 445 | V | 83.3 | Confident | 79.6 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.7 | 168.3 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | V391 F394 L395 L489 | V391-V445 HydrophobicContact CG1-CB 4.46Å; V391-V445 HydrophobicContact CG1-CG1 4.24Å; V391-V445 HydrophobicContact CG1-CG2 4.07Å; F394-V445 HydrophobicContact CD1-CG1 4.24Å; F394-V445 HydrophobicContact CD1-CG2 4.29Å; F394-V445 HydrophobicContact CE1-CG1 4.42Å; F394-V445 HydrophobicContact CE1-CG2 4.45Å; L395-V445 HydrophobicContact CD1-CG2 4.28Å; L395-V445 HydrophobicContact CD2-CG2 3.8Å; L395-V445 HydrophobicContact CG-CG2 4.09Å; V445-L489 HydrophobicContact CG1-CD2 4.22Å |
| 446 | C | 82.8 | Confident | 79.1 | Confident | 31 Ų | 31 | 59 Ų | 59 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.9 | 169.1 | -153.2 | 0 | 0 | 0 | 0 | 109.1 | L489 T490 E495 | C446-L489 WeakPolarHBondContact O-CA 3.18Å; C446-T490 PolarHBondContact N-O 3.28Å; C446-T490 PolarHBondContact O-N 3.25Å; C446-E495 HydrophobicContact CB-CG 4Å; C446-E495 VanDerWaalsContact SG-CD 3.51Å; C446-E495 PolarHBondContact SG-OE2 3.43Å; C446-E495 VanDerWaalsContact SG-OE2 3.4Å |
| 447 | E | 82.8 | Confident | 78.4 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.7 | -178.5 | -178.7 | 176.2 | -155.8 | 0 | 0 | 107.7 | I488 | E447-I488 WeakPolarHBondContact CA-O 3.33Å |
| 448 | F | 84.3 | Confident | 77.6 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 140.3 | 179 | 68.9 | -83 | 0 | 0 | 0 | 111.6 | V450 I488 T490 E495 K498 Q499 | F448-V450 HydrophobicContact CD2-CG2 4.08Å; F448-V450 HydrophobicContact CE2-CG2 3.76Å; F448-I488 HydrophobicContact CD1-CB 4.2Å; F448-I488 HydrophobicContact CD1-CG2 4.37Å; F448-I488 WeakPolarHBondContact CD1-O 3.3Å; F448-I488 HydrophobicContact CD2-CD1 4.23Å; F448-I488 HydrophobicContact CE1-CB 3.81Å; F448-I488 HydrophobicContact CE1-CG2 3.56Å; F448-I488 HydrophobicContact CE2-CB 4.15Å; F448-I488 HydrophobicContact CE2-CD1 3.55Å; F448-I488 HydrophobicContact CE2-CG1 4.48Å; F448-I488 HydrophobicContact CE2-CG2 4.42Å; F448-I488 HydrophobicContact CZ-CB 3.79Å; F448-I488 HydrophobicContact CZ-CD1 3.81Å; F448-I488 HydrophobicContact CZ-CG1 4.42Å; F448-I488 HydrophobicContact CZ-CG2 3.6Å; F448-I488 PolarHBondContact N-O 3.02Å; F448-I488 PolarHBondContact O-N 2.84Å; F448-T490 HydrophobicContact CD1-CG2 4.3Å; F448-T490 HydrophobicContact CE1-CG2 3.76Å; F448-E495 HydrophobicContact CD1-CG 4.45Å; F448-K498 HydrophobicContact CZ-CB 4.34Å; F448-Q499 HydrophobicContact CE2-CB 3.67Å; F448-Q499 HydrophobicContact CE2-CG 3.98Å; F448-Q499 HydrophobicContact CZ-CB 4.1Å |
| 449 | S | 81.1 | Confident | 77.1 | Confident | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.1 | 175.9 | -43.4 | 0 | 0 | 0 | 0 | 110.6 | R482 V486 D487 | S449-R482 PolarHBondContact OG-NH1 3.23Å; S449-V486 CarbonylContact C-O 3.47Å; S449-V486 WeakPolarHBondContact CA-O 3.24Å; S449-D487 WeakPolarHBondContact CA-OD1 3.3Å; S449-D487 WeakPolarHBondContact CB-OD1 3.33Å; S449-D487 PolarHBondContact OG-OD1 3.09Å |
| 450 | V | 81.8 | Confident | 76.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.7 | 164.7 | 165.9 | 0 | 0 | 0 | 0 | 108.8 | F448 L452 S485 V486 I488 Q499 M503 L506 | F448-V450 HydrophobicContact CD2-CG2 4.08Å; F448-V450 HydrophobicContact CE2-CG2 3.76Å; V450-L452 HydrophobicContact CG1-CD2 4.38Å; V450-S485 CarbonylContact O-C 3.43Å; V450-S485 WeakPolarHBondContact O-CA 3.31Å; V450-S485 VanDerWaalsContact O-CB 3.32Å; V450-S485 WeakPolarHBondContact O-CB 3.37Å; V450-V486 PolarHBondContact N-O 3.41Å; V450-V486 PolarHBondContact O-N 2.9Å; V450-I488 HydrophobicContact CB-CD1 3.95Å; V450-I488 HydrophobicContact CG2-CD1 3.49Å; V450-I488 VanDerWaalsContact CG2-CD1 3.49Å; V450-Q499 HydrophobicContact CG2-CG 4.07Å; V450-M503 HydrophobicContact CG1-SD 3.66Å; V450-L506 HydrophobicContact CG1-CD1 4.33Å |
| 451 | P | 77.4 | Confident | 75.7 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 148.3 | 172.7 | 32.6 | -34.5 | 0 | 0 | 0 | 110.6 | G484 | P451-G484 WeakPolarHBondContact CA-O 3.45Å |
| 452 | L | 77.8 | Confident | 75.1 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | trans | -121.9 | 147.1 | 177.6 | -62.3 | -177.6 | 0 | 0 | 0 | 110.9 | V450 Q456 E457 L460 G484 V486 L506 | V450-L452 HydrophobicContact CG1-CD2 4.38Å; L452-Q456 HydrophobicContact CB-CB 4.36Å; L452-Q456 HydrophobicContact CD2-CB 4.28Å; L452-E457 HydrophobicContact CB-CG 4.29Å; L452-E457 HydrophobicContact CD1-CG 4.38Å; L452-L460 HydrophobicContact CD1-CD1 3.64Å; L452-L460 HydrophobicContact CD1-CD2 4.05Å; L452-L460 HydrophobicContact CD1-CG 3.98Å; L452-G484 PolarHBondContact N-O 3.16Å; L452-V486 HydrophobicContact CD1-CG2 3.8Å; L452-L506 HydrophobicContact CD2-CD1 3.53Å; L452-L506 HydrophobicContact CD2-CD2 4.16Å; L452-L506 HydrophobicContact CD2-CG 4.46Å | ||
| 453 | E | 73.5 | Confident | 74.9 | Confident | 139 Ų | 139 | 61.4 Ų | 61.4 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | trans | -83.7 | 153.9 | 164.8 | -61 | -179 | 172.3 | 0 | 0 | 109.4 | E455 Q456 E457 | E453-E455 PolarHBondContact O-N 3.41Å; E453-Q456 HydrophobicContact CB-CG 4.42Å; E453-Q456 WeakPolarHBondContact O-CA 3.45Å; E453-Q456 WeakPolarHBondContact O-CB 3.23Å; E453-Q456 PolarHBondContact O-N 3.2Å; E453-E457 PolarHBondContact O-N 2.65Å | ||
| 454 | S | 65.3 | Low | 74.6 | Confident | 106 Ų | 106 | 61 Ų | 61 | 74% | 0.741 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | -172.7 | -57.4 | 0 | 0 | 0 | 0 | 114.5 | Q456 | S454-Q456 VanDerWaalsContact C-N 3.31Š|
| 455 | E | 63.1 | Low | 74.4 | Confident | 170 Ų | 170 | 60.3 Ų | 60.3 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.5 | 173.4 | -62.6 | 176.7 | -165.6 | 0 | 0 | 112.5 | E453 | E453-E455 PolarHBondContact O-N 3.41Š|
| 456 | Q | 69.3 | Low | 74 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -20.6 | -177.4 | -61.8 | 174.2 | -37.4 | 0 | 0 | 113.4 | L452 E453 S454 A458 L459 L506 | L452-Q456 HydrophobicContact CB-CB 4.36Å; L452-Q456 HydrophobicContact CD2-CB 4.28Å; E453-Q456 HydrophobicContact CB-CG 4.42Å; E453-Q456 WeakPolarHBondContact O-CA 3.45Å; E453-Q456 WeakPolarHBondContact O-CB 3.23Å; E453-Q456 PolarHBondContact O-N 3.2Å; S454-Q456 VanDerWaalsContact C-N 3.31Å; Q456-A458 PolarHBondContact O-N 3.15Å; Q456-L459 HydrophobicContact CB-CD1 4.45Å; Q456-L459 WeakPolarHBondContact O-CB 3.33Å; Q456-L459 PolarHBondContact O-N 2.76Å; Q456-L459 VanDerWaalsContact O-N 3.07Å; Q456-L506 HydrophobicContact CB-CD2 4.5Å; Q456-L506 PolarHBondContact NE2-O 3.45Å |
| 457 | E | 67.6 | Low | 73.8 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -57.4 | -35.8 | 178.6 | -65.6 | -171.3 | 132.2 | 0 | 0 | 111.9 | L452 E453 L459 L460 G484 | L452-E457 HydrophobicContact CB-CG 4.29Å; L452-E457 HydrophobicContact CD1-CG 4.38Å; E453-E457 PolarHBondContact O-N 2.65Å; E457-L459 VanDerWaalsContact C-N 3.34Å; E457-L459 PolarHBondContact O-N 2.67Å; E457-L460 WeakPolarHBondContact O-CB 3.48Å; E457-L460 WeakPolarHBondContact O-CG 3.13Å; E457-L460 PolarHBondContact O-N 3.12Å; E457-G484 VanDerWaalsContact OE1-CA 3.22Å; E457-G484 WeakPolarHBondContact OE1-CA 3.47Å; E457-G484 PolarHBondContact OE1-N 3.15Å |
| 458 | A | 64.4 | Low | 73.8 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -69.7 | -25.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q456 L460 C461 V560 | Q456-A458 PolarHBondContact O-N 3.15Å; A458-L460 PolarHBondContact O-N 2.85Å; A458-C461 PolarHBondContact O-N 2.88Å; A458-V560 HydrophobicContact CB-CG1 3.67Å; A458-V560 HydrophobicContact CB-CG2 4.37Å |
| 459 | L | 71.7 | Confident | 73.4 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -63.9 | -24.6 | 176.6 | -69.7 | 167.7 | 0 | 0 | 0 | 112.2 | Q456 E457 C461 C462 W465 L506 V560 | Q456-L459 HydrophobicContact CB-CD1 4.45Å; Q456-L459 WeakPolarHBondContact O-CB 3.33Å; Q456-L459 PolarHBondContact O-N 2.76Å; Q456-L459 VanDerWaalsContact O-N 3.07Å; E457-L459 VanDerWaalsContact C-N 3.34Å; E457-L459 PolarHBondContact O-N 2.67Å; L459-C461 PolarHBondContact O-N 2.89Å; L459-C462 WeakPolarHBondContact O-CB 3.34Å; L459-C462 PolarHBondContact O-N 2.94Å; L459-W465 VanDerWaalsContact O-CB 3.22Å; L459-W465 WeakPolarHBondContact O-CB 3.28Å; L459-L506 HydrophobicContact CB-CD2 4.39Å; L459-L506 HydrophobicContact CD1-CD2 4.17Å; L459-V560 HydrophobicContact CD2-CG2 3.59Å; L459-V560 HydrophobicContact CG-CG2 4.12Å |
| 460 | L | 70.6 | Confident | 73.1 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -66.4 | -24.3 | 177.6 | -55.2 | -179.2 | 0 | 0 | 0 | 113.4 | L452 E457 A458 W465 V486 | L452-L460 HydrophobicContact CD1-CD1 3.64Å; L452-L460 HydrophobicContact CD1-CD2 4.05Å; L452-L460 HydrophobicContact CD1-CG 3.98Å; E457-L460 WeakPolarHBondContact O-CB 3.48Å; E457-L460 WeakPolarHBondContact O-CG 3.13Å; E457-L460 PolarHBondContact O-N 3.12Å; A458-L460 PolarHBondContact O-N 2.85Å; L460-W465 HydrophobicContact CD2-CD2 4.23Å; L460-W465 HydrophobicContact CD2-CH2 4.32Å; L460-W465 HydrophobicContact CD2-CZ2 3.68Å; L460-V486 HydrophobicContact CD1-CG2 3.37Å; L460-V486 HydrophobicContact CD2-CG2 3.75Å; L460-V486 HydrophobicContact CG-CG2 4.19Å |
| 461 | C | 64.4 | Low | 72.9 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 70% | 0.703 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -91.2 | -6.4 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | A458 L459 | A458-C461 PolarHBondContact O-N 2.88Å; L459-C461 PolarHBondContact O-N 2.89Å |
| 462 | C | 72.1 | Confident | 72.9 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -75 | 147.5 | 179 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L459 E464 W465 S466 | L459-C462 WeakPolarHBondContact O-CB 3.34Å; L459-C462 PolarHBondContact O-N 2.94Å; C462-E464 WeakPolarHBondContact CB-OE2 3.32Å; C462-E464 PolarHBondContact O-N 2.91Å; C462-W465 PolarHBondContact O-N 2.74Å; C462-S466 PolarHBondContact O-N 2.84Å |
| 463 | R | 75.5 | Confident | 72.5 | Confident | 116 Ų | 116 | 66.6 Ų | 66.6 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 175.6 | -60.5 | -178.1 | -167.1 | 148.6 | 11.3 | 111.1 | W465 S466 D467 E566 E567 | R463-W465 VanDerWaalsContact C-N 3.27Å; R463-W465 PolarHBondContact O-N 2.74Å; R463-S466 WeakPolarHBondContact O-CA 3.24Å; R463-S466 WeakPolarHBondContact O-CB 3.14Å; R463-S466 PolarHBondContact O-N 2.98Å; R463-D467 PolarHBondContact O-N 3.42Å; R463-E566 IonicContact CZ-OE1 2.66Å; R463-E566 IonicContact NH1-OE1 3.74Å; R463-E566 PolarHBondContact NH1-OE1 3.05Å; R463-E566 IonicContact NH2-OE1 2.69Å; R463-E566 PolarHBondContact NH2-OE1 3.41Å; R463-E566 VanDerWaalsContact NH2-OE1 3.09Å; R463-E567 IonicContact NH2-OE1 2.73Å |
| 464 | E | 77.1 | Confident | 72.5 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -32.7 | 179.6 | -63.4 | 76.9 | -174.6 | 0 | 0 | 112.9 | C462 F468 F505 I510 R512 | C462-E464 WeakPolarHBondContact CB-OE2 3.32Å; C462-E464 PolarHBondContact O-N 2.91Å; E464-F468 WeakPolarHBondContact O-CB 3.48Å; E464-F468 PolarHBondContact O-N 2.9Å; E464-F505 HydrophobicContact CB-CZ 4.23Å; E464-I510 HydrophobicContact CB-CD1 4.49Å; E464-I510 HydrophobicContact CG-CG2 4.49Å; E464-R512 WeakPolarHBondContact OE1-CD 3.27Å; E464-R512 IonicContact OE1-CZ 2.74Å; E464-R512 IonicContact OE1-NE 2.69Å; E464-R512 IonicContact OE1-NH1 2.67Å; E464-R512 PolarHBondContact OE1-NH1 3.29Å; E464-R512 IonicContact OE2-NH1 2.65Å |
| 465 | W | 77.7 | Confident | 73.3 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.5 | -39 | 173.3 | 171 | -107.5 | 0 | 0 | 0 | 111.5 | L459 L460 C462 R463 F468 L469 T477 I502 F505 L506 | L459-W465 VanDerWaalsContact O-CB 3.22Å; L459-W465 WeakPolarHBondContact O-CB 3.28Å; L460-W465 HydrophobicContact CD2-CD2 4.23Å; L460-W465 HydrophobicContact CD2-CH2 4.32Å; L460-W465 HydrophobicContact CD2-CZ2 3.68Å; C462-W465 PolarHBondContact O-N 2.74Å; R463-W465 VanDerWaalsContact C-N 3.27Å; R463-W465 PolarHBondContact O-N 2.74Å; W465-F468 AromaticContact CE3-CD1 3.84Å; W465-F468 HydrophobicContact CE3-CD1 3.84Å; W465-F468 HydrophobicContact CE3-CE1 4.33Å; W465-F468 AromaticContact CZ3-CD1 3.97Å; W465-F468 HydrophobicContact CZ3-CD1 3.97Å; W465-F468 HydrophobicContact CZ3-CE1 4.01Å; W465-F468 PolarHBondContact O-N 2.97Å; W465-L469 HydrophobicContact CD2-CD1 4.19Å; W465-L469 HydrophobicContact CD2-CG 4.27Å; W465-L469 HydrophobicContact CG-CD1 4.39Å; W465-L469 HydrophobicContact CH2-CD2 4.37Å; W465-L469 HydrophobicContact CZ2-CD1 4.01Å; W465-L469 HydrophobicContact CZ2-CD2 4.21Å; W465-L469 HydrophobicContact CZ2-CG 4.32Å; W465-L469 WeakPolarHBondContact O-CB 3.43Å; W465-L469 VanDerWaalsContact O-CG 3.27Å; W465-L469 WeakPolarHBondContact O-CG 3.28Å; W465-L469 PolarHBondContact O-N 2.87Å; W465-T477 HydrophobicContact CZ2-CG2 4.08Å; W465-I502 HydrophobicContact CH2-CG1 4.34Å; W465-I502 HydrophobicContact CH2-CG2 3.82Å; W465-I502 HydrophobicContact CZ3-CG1 4.47Å; W465-I502 HydrophobicContact CZ3-CG2 4.07Å; W465-F505 HydrophobicContact CB-CE1 4.16Å; W465-F505 HydrophobicContact CB-CZ 4.2Å; W465-F505 AromaticContact CE3-CD1 3.74Å; W465-F505 HydrophobicContact CE3-CD1 3.74Å; W465-F505 AromaticContact CE3-CE1 3.7Å; W465-F505 HydrophobicContact CE3-CE1 3.7Å; W465-F505 HydrophobicContact CE3-CZ 4.44Å; W465-F505 HydrophobicContact CZ3-CD1 4.14Å; W465-L506 HydrophobicContact CZ3-CD2 4.46Å |
| 466 | S | 74.9 | Confident | 73.9 | Confident | 61 Ų | 61 | 52 Ų | 52 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | C462 R463 Q470 | C462-S466 PolarHBondContact O-N 2.84Å; R463-S466 WeakPolarHBondContact O-CA 3.24Å; R463-S466 WeakPolarHBondContact O-CB 3.14Å; R463-S466 PolarHBondContact O-N 2.98Å; S466-Q470 WeakPolarHBondContact O-CG 2.79Å; S466-Q470 PolarHBondContact O-N 3.17Å; S466-Q470 VanDerWaalsContact O-N 3.14Å; S466-Q470 PolarHBondContact O-NE2 3.07Å |
| 467 | D | 77.9 | Confident | 74.3 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 175.3 | -66.9 | -25.5 | 0 | 0 | 0 | 111.3 | R463 L469 Q470 T471 | R463-D467 PolarHBondContact O-N 3.42Å; D467-L469 VanDerWaalsContact C-N 3.34Å; D467-L469 PolarHBondContact O-N 2.91Å; D467-Q470 WeakPolarHBondContact O-CB 3.5Å; D467-Q470 PolarHBondContact O-N 2.98Å; D467-Q470 VanDerWaalsContact O-N 3.08Å; D467-T471 PolarHBondContact O-N 3.25Å |
| 468 | F | 81.4 | Confident | 74.4 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 173.7 | 174.8 | -118.7 | 0 | 0 | 0 | 111.9 | E464 W465 Q470 T471 L472 A501 I502 F505 | E464-F468 WeakPolarHBondContact O-CB 3.48Å; E464-F468 PolarHBondContact O-N 2.9Å; W465-F468 AromaticContact CE3-CD1 3.84Å; W465-F468 HydrophobicContact CE3-CD1 3.84Å; W465-F468 HydrophobicContact CE3-CE1 4.33Å; W465-F468 AromaticContact CZ3-CD1 3.97Å; W465-F468 HydrophobicContact CZ3-CD1 3.97Å; W465-F468 HydrophobicContact CZ3-CE1 4.01Å; W465-F468 PolarHBondContact O-N 2.97Å; F468-Q470 VanDerWaalsContact C-N 3.29Å; F468-Q470 PolarHBondContact O-N 2.63Å; F468-T471 PolarHBondContact O-N 3.41Å; F468-T471 VanDerWaalsContact O-N 3.12Å; F468-T471 PolarHBondContact O-OG1 3.2Å; F468-L472 HydrophobicContact CD1-CD1 3.98Å; F468-L472 HydrophobicContact CD2-CD1 4.45Å; F468-L472 HydrophobicContact CD2-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.42Å; F468-L472 VanDerWaalsContact CE1-CD1 3.42Å; F468-L472 HydrophobicContact CE1-CG 4.32Å; F468-L472 HydrophobicContact CE2-CD1 3.95Å; F468-L472 HydrophobicContact CE2-CD2 4.47Å; F468-L472 HydrophobicContact CE2-CG 4.01Å; F468-L472 HydrophobicContact CG-CD1 4.47Å; F468-L472 HydrophobicContact CZ-CD1 3.41Å; F468-L472 VanDerWaalsContact CZ-CD1 3.41Å; F468-L472 HydrophobicContact CZ-CD2 4.46Å; F468-L472 HydrophobicContact CZ-CG 3.98Å; F468-L472 PolarHBondContact O-N 2.86Å; F468-A501 HydrophobicContact CZ-CB 4.38Å; F468-A501 WeakPolarHBondContact CZ-O 3.5Å; F468-I502 HydrophobicContact CE1-CG1 4.03Å; F468-F505 HydrophobicContact CB-CD2 3.91Å; F468-F505 HydrophobicContact CB-CE2 3.61Å; F468-F505 HydrophobicContact CB-CZ 4.24Å; F468-F505 HydrophobicContact CD1-CB 4.04Å; F468-F505 HydrophobicContact CD1-CD1 4.21Å; F468-F505 AromaticContact CD1-CD2 3.59Å; F468-F505 HydrophobicContact CD1-CD2 3.59Å; F468-F505 HydrophobicContact CD1-CE2 4.03Å; F468-F505 AromaticContact CD1-CG 3.69Å; F468-F505 HydrophobicContact CD1-CG 3.69Å; F468-F505 AromaticContact CD2-CD2 3.75Å; F468-F505 HydrophobicContact CD2-CD2 3.75Å; F468-F505 HydrophobicContact CD2-CE2 4.29Å; F468-F505 HydrophobicContact CD2-CG 4.47Å; F468-F505 HydrophobicContact CE1-CB 3.51Å; F468-F505 HydrophobicContact CE1-CD1 4.39Å; F468-F505 AromaticContact CE1-CD2 3.94Å; F468-F505 HydrophobicContact CE1-CD2 3.94Å; F468-F505 AromaticContact CE1-CG 3.71Å; F468-F505 HydrophobicContact CE1-CG 3.71Å; F468-F505 HydrophobicContact CE2-CB 4.22Å; F468-F505 HydrophobicContact CE2-CD2 4.1Å; F468-F505 AromaticContact CG-CD2 3.47Å; F468-F505 HydrophobicContact CG-CD2 3.47Å; F468-F505 VanDerWaalsContact CG-CD2 3.47Å; F468-F505 AromaticContact CG-CE2 3.74Å; F468-F505 HydrophobicContact CG-CE2 3.74Å; F468-F505 HydrophobicContact CG-CG 4.08Å; F468-F505 HydrophobicContact CZ-CB 3.61Å; F468-F505 HydrophobicContact CZ-CD2 4.18Å; F468-F505 HydrophobicContact CZ-CG 4.13Å |
| 469 | L | 77.9 | Confident | 74.3 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -27.3 | 175.1 | -73 | 177.2 | 0 | 0 | 0 | 113.9 | W465 D467 L472 T477 | W465-L469 HydrophobicContact CD2-CD1 4.19Å; W465-L469 HydrophobicContact CD2-CG 4.27Å; W465-L469 HydrophobicContact CG-CD1 4.39Å; W465-L469 HydrophobicContact CH2-CD2 4.37Å; W465-L469 HydrophobicContact CZ2-CD1 4.01Å; W465-L469 HydrophobicContact CZ2-CD2 4.21Å; W465-L469 HydrophobicContact CZ2-CG 4.32Å; W465-L469 WeakPolarHBondContact O-CB 3.43Å; W465-L469 VanDerWaalsContact O-CG 3.27Å; W465-L469 WeakPolarHBondContact O-CG 3.28Å; W465-L469 PolarHBondContact O-N 2.87Å; D467-L469 VanDerWaalsContact C-N 3.34Å; D467-L469 PolarHBondContact O-N 2.91Å; L469-L472 HydrophobicContact CD2-CD1 4.43Å; L469-T477 HydrophobicContact CD1-CG2 3.71Å; L469-T477 VanDerWaalsContact CD1-OG1 3.28Å; L469-T477 WeakPolarHBondContact CD1-OG1 3.35Å; L469-T477 HydrophobicContact CD2-CG2 3.58Å; L469-T477 HydrophobicContact CG-CG2 4.32Å |
| 470 | Q | 74.3 | Confident | 74 | Confident | 132 Ų | 132 | 54.8 Ų | 54.8 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -73 | -37.8 | 170.3 | -73.7 | 173.3 | 74.5 | 0 | 0 | 111.9 | S466 D467 F468 L472 | S466-Q470 WeakPolarHBondContact O-CG 2.79Å; S466-Q470 PolarHBondContact O-N 3.17Å; S466-Q470 VanDerWaalsContact O-N 3.14Å; S466-Q470 PolarHBondContact O-NE2 3.07Å; D467-Q470 WeakPolarHBondContact O-CB 3.5Å; D467-Q470 PolarHBondContact O-N 2.98Å; D467-Q470 VanDerWaalsContact O-N 3.08Å; F468-Q470 VanDerWaalsContact C-N 3.29Å; F468-Q470 PolarHBondContact O-N 2.63Å; Q470-L472 VanDerWaalsContact C-N 3.34Å |
| 471 | T | 77.2 | Confident | 73.6 | Confident | 114 Ų | 114 | 61 Ų | 61 | 70% | 0.699 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.2 | -28.2 | 173.1 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | D467 F468 G473 | D467-T471 PolarHBondContact O-N 3.25Å; F468-T471 PolarHBondContact O-N 3.41Å; F468-T471 VanDerWaalsContact O-N 3.12Å; F468-T471 PolarHBondContact O-OG1 3.2Å; T471-G473 PolarHBondContact O-N 3.08Å |
| 472 | L | 77.3 | Confident | 73.7 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -76.5 | 62.2 | 171.4 | -77.3 | -179.5 | 0 | 0 | 0 | 112.2 | F468 L469 Q470 T475 K498 A501 I502 | F468-L472 HydrophobicContact CD1-CD1 3.98Å; F468-L472 HydrophobicContact CD2-CD1 4.45Å; F468-L472 HydrophobicContact CD2-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.42Å; F468-L472 VanDerWaalsContact CE1-CD1 3.42Å; F468-L472 HydrophobicContact CE1-CG 4.32Å; F468-L472 HydrophobicContact CE2-CD1 3.95Å; F468-L472 HydrophobicContact CE2-CD2 4.47Å; F468-L472 HydrophobicContact CE2-CG 4.01Å; F468-L472 HydrophobicContact CG-CD1 4.47Å; F468-L472 HydrophobicContact CZ-CD1 3.41Å; F468-L472 VanDerWaalsContact CZ-CD1 3.41Å; F468-L472 HydrophobicContact CZ-CD2 4.46Å; F468-L472 HydrophobicContact CZ-CG 3.98Å; F468-L472 PolarHBondContact O-N 2.86Å; L469-L472 HydrophobicContact CD2-CD1 4.43Å; Q470-L472 VanDerWaalsContact C-N 3.34Å; L472-T475 WeakPolarHBondContact O-CB 3.28Å; L472-T475 PolarHBondContact O-N 2.69Å; L472-T475 PolarHBondContact O-OG1 2.83Å; L472-K498 HydrophobicContact CD2-CD 4.1Å; L472-A501 HydrophobicContact CD2-CB 4.05Å; L472-I502 HydrophobicContact CD1-CD1 4.29Å; L472-I502 HydrophobicContact CD1-CG1 3.8Å |
| 473 | G | 69 | Low | 73.1 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 148.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | T471 T475 K498 | T471-G473 PolarHBondContact O-N 3.08Å; G473-T475 VanDerWaalsContact C-N 3.34Å; G473-K498 WeakPolarHBondContact O-CE 3.3Å; G473-K498 PolarHBondContact O-NZ 2.7Å |
| 474 | Y | 74.9 | Confident | 72.8 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 25.2 | -167.5 | -38.7 | -70.2 | 0 | 0 | 0 | 115.9 | D399 V400 H403 T490 L491 M494 | D399-Y474 HydrophobicContact CB-CD1 4.48Å; D399-Y474 HydrophobicContact CB-CE1 4.05Å; D399-Y474 WeakPolarHBondContact O-CE1 3.14Å; D399-Y474 PolarHBondContact OD2-N 3.23Å; V400-Y474 HydrophobicContact CG2-CD1 4.13Å; H403-Y474 HydrophobicContact CB-CD1 4.34Å; H403-Y474 HydrophobicContact CB-CE1 3.56Å; H403-Y474 AromaticContact CG-CE1 3.95Å; H403-Y474 AromaticContact ND1-CZ 3.9Å; Y474-T490 WeakPolarHBondContact O-CA 3.36Å; Y474-T490 PolarHBondContact O-OG1 2.83Å; Y474-L491 HydrophobicContact CD1-CD1 3.78Å; Y474-L491 HydrophobicContact CG-CD1 4.18Å; Y474-M494 HydrophobicContact CD2-CE 4.07Å; Y474-M494 HydrophobicContact CD2-SD 3.96Å; Y474-M494 HydrophobicContact CG-CE 4.32Å; Y474-M494 HydrophobicContact CG-SD 4.09Å |
| 475 | T | 80.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.3 | 178.1 | -30.1 | 0 | 0 | 0 | 0 | 111.4 | R397 L472 G473 I488 L489 K498 I502 | R397-T475 PolarHBondContact NH1-O 2.88Å; L472-T475 WeakPolarHBondContact O-CB 3.28Å; L472-T475 PolarHBondContact O-N 2.69Å; L472-T475 PolarHBondContact O-OG1 2.83Å; G473-T475 VanDerWaalsContact C-N 3.34Å; T475-I488 HydrophobicContact CG2-CG2 3.55Å; T475-L489 WeakPolarHBondContact CA-O 3.48Å; T475-K498 WeakPolarHBondContact OG1-CD 3.3Å; T475-K498 WeakPolarHBondContact OG1-CE 3.25Å; T475-K498 PolarHBondContact OG1-NZ 2.97Å; T475-I502 HydrophobicContact CG2-CD1 4.48Å |
| 476 | S | 77.1 | Confident | 73 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.7 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | L489 | S476-L489 PolarHBondContact N-O 3.17Å; S476-L489 PolarHBondContact O-N 3.3Å |
| 477 | T | 76.8 | Confident | 73.3 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.5 | -174 | 50.8 | 0 | 0 | 0 | 0 | 112 | W465 L469 V486 D487 I488 | W465-T477 HydrophobicContact CZ2-CG2 4.08Å; L469-T477 HydrophobicContact CD1-CG2 3.71Å; L469-T477 VanDerWaalsContact CD1-OG1 3.28Å; L469-T477 WeakPolarHBondContact CD1-OG1 3.35Å; L469-T477 HydrophobicContact CD2-CG2 3.58Å; L469-T477 HydrophobicContact CG-CG2 4.32Å; T477-V486 HydrophobicContact CG2-CG1 4.22Å; T477-D487 WeakPolarHBondContact CA-O 3.26Å; T477-I488 HydrophobicContact CG2-CG1 4.22Å |
| 478 | K | 70.8 | Confident | 73.6 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.1 | 178.2 | 177.1 | -175.2 | -177.7 | 157.2 | 0 | 109.6 | E390 S480 D487 | E390-K478 VanDerWaalsContact CD-NZ 3.28Å; E390-K478 VanDerWaalsContact OE1-CD 3.24Å; E390-K478 WeakPolarHBondContact OE1-CD 3.41Å; E390-K478 WeakPolarHBondContact OE1-CE 3.05Å; E390-K478 IonicContact OE1-NZ 2.67Å; E390-K478 PolarHBondContact OE1-NZ 3.25Å; E390-K478 IonicContact OE2-NZ 2.63Å; E390-K478 PolarHBondContact OE2-NZ 3.14Å; K478-S480 PolarHBondContact O-N 2.92Å; K478-D487 HydrophobicContact CB-CB 4.26Å; K478-D487 PolarHBondContact N-O 3.38Å; K478-D487 PolarHBondContact O-N 2.79Å; K478-D487 VanDerWaalsContact O-N 3.16Å |
| 479 | S | 61.4 | Low | 73.7 | Confident | 105 Ų | 105 | 55.1 Ų | 55.1 | 73% | 0.734 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 113.4 | 164.6 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 480 | S | 66.4 | Low | 74.1 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | trans | -65.7 | 150.3 | -177.1 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | K478 R482 S485 D487 | K478-S480 PolarHBondContact O-N 2.92Å; S480-R482 PolarHBondContact O-N 3.04Å; S480-R482 PolarHBondContact OG-N 3.12Å; S480-S485 WeakPolarHBondContact CB-O 3.41Å; S480-S485 PolarHBondContact OG-OG 2.94Å; S480-D487 VanDerWaalsContact CA-OD2 3.31Å; S480-D487 WeakPolarHBondContact CA-OD2 3.39Å; S480-D487 WeakPolarHBondContact CB-OD2 3.36Å; S480-D487 PolarHBondContact OG-OD2 2.82Å | ||
| 481 | E | 61.4 | Low | 74.5 | Confident | 180 Ų | 180 | 48.2 Ų | 48.2 | 84% | 0.841 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -68.2 | -8.5 | 167.5 | -64.7 | 177.7 | -171.5 | 0 | 0 | 112.2 | ||
| 482 | R | 65.6 | Low | 74.6 | Confident | 153 Ų | 153 | 48.8 Ų | 48.8 | 58% | 0.577 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -105.5 | 125.8 | 173.4 | -52 | -175.4 | -159.8 | 103 | 4.6 | 110.7 | S449 S480 S485 | S449-R482 PolarHBondContact OG-NH1 3.23Å; S480-R482 PolarHBondContact O-N 3.04Å; S480-R482 PolarHBondContact OG-N 3.12Å; R482-S485 PolarHBondContact O-N 3.12Å; R482-S485 PolarHBondContact O-OG 2.63Å |
| 483 | P | 60.1 | Low | 74.6 | Confident | 126 Ų | 126 | 50.9 Ų | 50.9 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 149.6 | 171 | 28.2 | -34.8 | 0 | 0 | 0 | 110.6 | ||
| 484 | G | 68.4 | Low | 75.1 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 24.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P451 L452 E457 | P451-G484 WeakPolarHBondContact CA-O 3.45Å; L452-G484 PolarHBondContact N-O 3.16Å; E457-G484 VanDerWaalsContact OE1-CA 3.22Å; E457-G484 WeakPolarHBondContact OE1-CA 3.47Å; E457-G484 PolarHBondContact OE1-N 3.15Å |
| 485 | S | 77.6 | Confident | 75.4 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 157.5 | 171.5 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | V450 S480 R482 | V450-S485 CarbonylContact O-C 3.43Å; V450-S485 WeakPolarHBondContact O-CA 3.31Å; V450-S485 VanDerWaalsContact O-CB 3.32Å; V450-S485 WeakPolarHBondContact O-CB 3.37Å; S480-S485 WeakPolarHBondContact CB-O 3.41Å; S480-S485 PolarHBondContact OG-OG 2.94Å; R482-S485 PolarHBondContact O-N 3.12Å; R482-S485 PolarHBondContact O-OG 2.63Å |
| 486 | V | 81.4 | Confident | 75.4 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.3 | 174.4 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | S449 V450 L452 L460 T477 I488 | S449-V486 CarbonylContact C-O 3.47Å; S449-V486 WeakPolarHBondContact CA-O 3.24Å; V450-V486 PolarHBondContact N-O 3.41Å; V450-V486 PolarHBondContact O-N 2.9Å; L452-V486 HydrophobicContact CD1-CG2 3.8Å; L460-V486 HydrophobicContact CD1-CG2 3.37Å; L460-V486 HydrophobicContact CD2-CG2 3.75Å; L460-V486 HydrophobicContact CG-CG2 4.19Å; T477-V486 HydrophobicContact CG2-CG1 4.22Å; V486-I488 HydrophobicContact CG1-CG1 4.21Å |
| 487 | D | 81.6 | Confident | 75.6 | Confident | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.8 | 175.5 | -68.4 | -48.9 | 0 | 0 | 0 | 110.1 | S449 T477 K478 S480 | S449-D487 WeakPolarHBondContact CA-OD1 3.3Å; S449-D487 WeakPolarHBondContact CB-OD1 3.33Å; S449-D487 PolarHBondContact OG-OD1 3.09Å; T477-D487 WeakPolarHBondContact CA-O 3.26Å; K478-D487 HydrophobicContact CB-CB 4.26Å; K478-D487 PolarHBondContact N-O 3.38Å; K478-D487 PolarHBondContact O-N 2.79Å; K478-D487 VanDerWaalsContact O-N 3.16Å; S480-D487 VanDerWaalsContact CA-OD2 3.31Å; S480-D487 WeakPolarHBondContact CA-OD2 3.39Å; S480-D487 WeakPolarHBondContact CB-OD2 3.36Å; S480-D487 PolarHBondContact OG-OD2 2.82Å |
| 488 | I | 84.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.8 | -171.3 | -61.2 | 150.9 | 0 | 0 | 0 | 109.1 | E447 F448 V450 T475 T477 V486 I502 | E447-I488 WeakPolarHBondContact CA-O 3.33Å; F448-I488 HydrophobicContact CD1-CB 4.2Å; F448-I488 HydrophobicContact CD1-CG2 4.37Å; F448-I488 WeakPolarHBondContact CD1-O 3.3Å; F448-I488 HydrophobicContact CD2-CD1 4.23Å; F448-I488 HydrophobicContact CE1-CB 3.81Å; F448-I488 HydrophobicContact CE1-CG2 3.56Å; F448-I488 HydrophobicContact CE2-CB 4.15Å; F448-I488 HydrophobicContact CE2-CD1 3.55Å; F448-I488 HydrophobicContact CE2-CG1 4.48Å; F448-I488 HydrophobicContact CE2-CG2 4.42Å; F448-I488 HydrophobicContact CZ-CB 3.79Å; F448-I488 HydrophobicContact CZ-CD1 3.81Å; F448-I488 HydrophobicContact CZ-CG1 4.42Å; F448-I488 HydrophobicContact CZ-CG2 3.6Å; F448-I488 PolarHBondContact N-O 3.02Å; F448-I488 PolarHBondContact O-N 2.84Å; V450-I488 HydrophobicContact CB-CD1 3.95Å; V450-I488 HydrophobicContact CG2-CD1 3.49Å; V450-I488 VanDerWaalsContact CG2-CD1 3.49Å; T475-I488 HydrophobicContact CG2-CG2 3.55Å; T477-I488 HydrophobicContact CG2-CG1 4.22Å; V486-I488 HydrophobicContact CG1-CG1 4.21Å; I488-I502 HydrophobicContact CD1-CD1 3.66Å; I488-I502 HydrophobicContact CD1-CG2 4.44Å; I488-I502 HydrophobicContact CG1-CD1 4.18Å; I488-I502 HydrophobicContact CG2-CD1 4.22Å |
| 489 | L | 84.1 | Confident | 76.4 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.6 | 170.7 | -63 | 102.6 | 0 | 0 | 0 | 110 | V391 F394 V445 C446 T475 S476 | V391-L489 HydrophobicContact CB-CD2 4.49Å; V391-L489 HydrophobicContact CG2-CD2 3.61Å; F394-L489 HydrophobicContact CG-CB 4.47Å; V445-L489 HydrophobicContact CG1-CD2 4.22Å; C446-L489 WeakPolarHBondContact O-CA 3.18Å; T475-L489 WeakPolarHBondContact CA-O 3.48Å; S476-L489 PolarHBondContact N-O 3.17Å; S476-L489 PolarHBondContact O-N 3.3Å |
| 490 | T | 85 | Confident | 77.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 178.8 | 175.3 | -162.9 | 0 | 0 | 0 | 0 | 112.3 | C446 F448 Y474 E495 | C446-T490 PolarHBondContact N-O 3.28Å; C446-T490 PolarHBondContact O-N 3.25Å; F448-T490 HydrophobicContact CD1-CG2 4.3Å; F448-T490 HydrophobicContact CE1-CG2 3.76Å; Y474-T490 WeakPolarHBondContact O-CA 3.36Å; Y474-T490 PolarHBondContact O-OG1 2.83Å; T490-E495 HydrophobicContact CG2-CG 4.06Å |
| 491 | L | 84.1 | Confident | 78.2 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 135.8 | 173.9 | -69.7 | -179.2 | 0 | 0 | 0 | 111.6 | F394 V400 L404 Q444 Y474 G493 M494 | F394-L491 HydrophobicContact CE1-CD2 4.13Å; F394-L491 HydrophobicContact CE1-CG 4.44Å; F394-L491 HydrophobicContact CZ-CD2 4.46Å; F394-L491 HydrophobicContact CZ-CG 4.28Å; V400-L491 HydrophobicContact CG1-CD2 4.18Å; L404-L491 HydrophobicContact CD1-CD2 4.19Å; L404-L491 HydrophobicContact CD2-CD2 3.9Å; L404-L491 HydrophobicContact CG-CD2 4.15Å; Q444-L491 WeakPolarHBondContact O-CA 3.01Å; Y474-L491 HydrophobicContact CD1-CD1 3.78Å; Y474-L491 HydrophobicContact CG-CD1 4.18Å; L491-G493 PolarHBondContact O-N 3.44Å; L491-M494 HydrophobicContact CB-CE 4.44Å; L491-M494 HydrophobicContact CB-CG 4.47Å; L491-M494 HydrophobicContact CB-SD 4.16Å; L491-M494 HydrophobicContact CD1-CE 4.43Å; L491-M494 WeakPolarHBondContact O-CB 3.28Å; L491-M494 PolarHBondContact O-N 2.8Å |
| 492 | K | 79.8 | Confident | 79.2 | Confident | 126 Ų | 126 | 51 Ų | 51 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 123.9 | -175.4 | -176 | 165.1 | -170.8 | 151.4 | 0 | 112.6 | S443 Q444 E495 | S443-K492 WeakPolarHBondContact O-CD 3.38Å; Q444-K492 WeakPolarHBondContact O-CB 3.25Å; Q444-K492 PolarHBondContact O-N 2.85Å; K492-E495 VanDerWaalsContact CA-OE1 3.3Å; K492-E495 WeakPolarHBondContact CA-OE1 3.44Å |
| 493 | G | 75.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -9.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L491 E495 | L491-G493 PolarHBondContact O-N 3.44Å; G493-E495 PolarHBondContact N-OE1 3.43Å |
| 494 | M | 80.3 | Confident | 80.9 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | trans | -91.2 | -8.5 | 169.2 | -57.7 | -172.5 | -178.5 | 0 | 0 | 112.8 | Y474 L491 N496 D497 K498 | Y474-M494 HydrophobicContact CD2-CE 4.07Å; Y474-M494 HydrophobicContact CD2-SD 3.96Å; Y474-M494 HydrophobicContact CG-CE 4.32Å; Y474-M494 HydrophobicContact CG-SD 4.09Å; L491-M494 HydrophobicContact CB-CE 4.44Å; L491-M494 HydrophobicContact CB-CG 4.47Å; L491-M494 HydrophobicContact CB-SD 4.16Å; L491-M494 HydrophobicContact CD1-CE 4.43Å; L491-M494 WeakPolarHBondContact O-CB 3.28Å; L491-M494 PolarHBondContact O-N 2.8Å; M494-N496 PolarHBondContact O-N 2.84Å; M494-D497 PolarHBondContact O-N 2.97Å; M494-D497 VanDerWaalsContact O-N 3.09Å; M494-K498 HydrophobicContact CB-CG 4.14Å; M494-K498 WeakPolarHBondContact O-CG 3.43Å; M494-K498 PolarHBondContact O-N 2.9Å | ||
| 495 | E | 80.6 | Confident | 81.5 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -44 | -56.4 | -174.7 | -67.4 | 139.8 | -110 | 0 | 0 | 113.5 | C446 F448 T490 K492 G493 D497 K498 Q499 | C446-E495 HydrophobicContact CB-CG 4Å; C446-E495 VanDerWaalsContact SG-CD 3.51Å; C446-E495 PolarHBondContact SG-OE2 3.43Å; C446-E495 VanDerWaalsContact SG-OE2 3.4Å; F448-E495 HydrophobicContact CD1-CG 4.45Å; T490-E495 HydrophobicContact CG2-CG 4.06Å; K492-E495 VanDerWaalsContact CA-OE1 3.3Å; K492-E495 WeakPolarHBondContact CA-OE1 3.44Å; G493-E495 PolarHBondContact N-OE1 3.43Å; E495-D497 PolarHBondContact O-N 2.84Å; E495-K498 PolarHBondContact O-N 3.05Å; E495-Q499 VanDerWaalsContact O-CB 3.26Å; E495-Q499 WeakPolarHBondContact O-CB 3.48Å; E495-Q499 PolarHBondContact O-N 3.24Å |
| 496 | N | 80.1 | Confident | 81.4 | Confident | 124 Ų | 124 | 47 Ų | 47 | 66% | 0.663 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | -178.1 | -63 | -38.4 | 0 | 0 | 0 | 112.8 | M494 A500 | M494-N496 PolarHBondContact O-N 2.84Å; N496-A500 VanDerWaalsContact O-CB 3.23Å; N496-A500 WeakPolarHBondContact O-CB 3.5Å; N496-A500 PolarHBondContact O-N 3.37Å |
| 497 | D | 81.8 | Confident | 81 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.4 | -38.9 | -176.6 | -61.1 | -11.1 | 0 | 0 | 0 | 110.6 | M494 E495 A501 | M494-D497 PolarHBondContact O-N 2.97Å; M494-D497 VanDerWaalsContact O-N 3.09Å; E495-D497 PolarHBondContact O-N 2.84Å; D497-A501 WeakPolarHBondContact O-CB 3.3Å; D497-A501 PolarHBondContact O-N 3.13Å |
| 498 | K | 83.1 | Confident | 80.8 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 175 | -63.1 | -55.7 | -173.2 | 173.7 | 0 | 112 | F448 L472 G473 T475 M494 E495 A501 I502 | F448-K498 HydrophobicContact CZ-CB 4.34Å; L472-K498 HydrophobicContact CD2-CD 4.1Å; G473-K498 WeakPolarHBondContact O-CE 3.3Å; G473-K498 PolarHBondContact O-NZ 2.7Å; T475-K498 WeakPolarHBondContact OG1-CD 3.3Å; T475-K498 WeakPolarHBondContact OG1-CE 3.25Å; T475-K498 PolarHBondContact OG1-NZ 2.97Å; M494-K498 HydrophobicContact CB-CG 4.14Å; M494-K498 WeakPolarHBondContact O-CG 3.43Å; M494-K498 PolarHBondContact O-N 2.9Å; E495-K498 PolarHBondContact O-N 3.05Å; K498-A501 PolarHBondContact O-N 3.31Å; K498-I502 WeakPolarHBondContact O-CB 3.33Å; K498-I502 WeakPolarHBondContact O-CG1 3.22Å; K498-I502 PolarHBondContact O-N 2.84Å |
| 499 | Q | 82.4 | Confident | 80 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 174.4 | -172.1 | 175.1 | 8.7 | 0 | 0 | 111.2 | F448 V450 E495 I502 M503 | F448-Q499 HydrophobicContact CE2-CB 3.67Å; F448-Q499 HydrophobicContact CE2-CG 3.98Å; F448-Q499 HydrophobicContact CZ-CB 4.1Å; V450-Q499 HydrophobicContact CG2-CG 4.07Å; E495-Q499 VanDerWaalsContact O-CB 3.26Å; E495-Q499 WeakPolarHBondContact O-CB 3.48Å; E495-Q499 PolarHBondContact O-N 3.24Å; Q499-I502 PolarHBondContact O-N 3.46Å; Q499-M503 HydrophobicContact CG-CG 4.43Å; Q499-M503 WeakPolarHBondContact O-CB 3.4Å; Q499-M503 VanDerWaalsContact O-CG 3.3Å; Q499-M503 WeakPolarHBondContact O-CG 3.29Å; Q499-M503 PolarHBondContact O-N 3.35Å |
| 500 | A | 81.8 | Confident | 79.6 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N496 Q504 | N496-A500 VanDerWaalsContact O-CB 3.23Å; N496-A500 WeakPolarHBondContact O-CB 3.5Å; N496-A500 PolarHBondContact O-N 3.37Å; A500-Q504 VanDerWaalsContact O-CB 3.32Å; A500-Q504 WeakPolarHBondContact O-CB 3.49Å; A500-Q504 PolarHBondContact O-N 3.13Å |
| 501 | A | 82.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F468 L472 D497 K498 Q504 F505 | F468-A501 HydrophobicContact CZ-CB 4.38Å; F468-A501 WeakPolarHBondContact CZ-O 3.5Å; L472-A501 HydrophobicContact CD2-CB 4.05Å; D497-A501 WeakPolarHBondContact O-CB 3.3Å; D497-A501 PolarHBondContact O-N 3.13Å; K498-A501 PolarHBondContact O-N 3.31Å; A501-Q504 PolarHBondContact O-N 2.94Å; A501-F505 PolarHBondContact O-N 2.87Å |
| 502 | I | 83.3 | Confident | 79 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 178.5 | -74 | 167.4 | 0 | 0 | 0 | 111.2 | W465 F468 L472 T475 I488 K498 Q499 Q504 F505 L506 | W465-I502 HydrophobicContact CH2-CG1 4.34Å; W465-I502 HydrophobicContact CH2-CG2 3.82Å; W465-I502 HydrophobicContact CZ3-CG1 4.47Å; W465-I502 HydrophobicContact CZ3-CG2 4.07Å; F468-I502 HydrophobicContact CE1-CG1 4.03Å; L472-I502 HydrophobicContact CD1-CD1 4.29Å; L472-I502 HydrophobicContact CD1-CG1 3.8Å; T475-I502 HydrophobicContact CG2-CD1 4.48Å; I488-I502 HydrophobicContact CD1-CD1 3.66Å; I488-I502 HydrophobicContact CD1-CG2 4.44Å; I488-I502 HydrophobicContact CG1-CD1 4.18Å; I488-I502 HydrophobicContact CG2-CD1 4.22Å; K498-I502 WeakPolarHBondContact O-CB 3.33Å; K498-I502 WeakPolarHBondContact O-CG1 3.22Å; K498-I502 PolarHBondContact O-N 2.84Å; Q499-I502 PolarHBondContact O-N 3.46Å; I502-Q504 VanDerWaalsContact C-N 3.3Å; I502-Q504 PolarHBondContact O-N 2.89Å; I502-F505 PolarHBondContact O-N 3.43Å; I502-L506 HydrophobicContact CG2-CD1 3.74Å; I502-L506 HydrophobicContact CG2-CG 4.46Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.24Å; I502-L506 PolarHBondContact O-N 2.88Å |
| 503 | M | 79.1 | Confident | 79.1 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 174.2 | -69.6 | -55.6 | -55.7 | 0 | 0 | 111.6 | V450 Q499 F505 L506 T507 | V450-M503 HydrophobicContact CG1-SD 3.66Å; Q499-M503 HydrophobicContact CG-CG 4.43Å; Q499-M503 WeakPolarHBondContact O-CB 3.4Å; Q499-M503 VanDerWaalsContact O-CG 3.3Å; Q499-M503 WeakPolarHBondContact O-CG 3.29Å; Q499-M503 PolarHBondContact O-N 3.35Å; M503-F505 PolarHBondContact O-N 2.98Å; M503-L506 PolarHBondContact O-N 3.47Å; M503-L506 HydrophobicContact SD-CD1 4.48Å; M503-T507 WeakPolarHBondContact O-CG2 3.11Å; M503-T507 PolarHBondContact O-N 3.21Å; M503-T507 PolarHBondContact O-OG1 3.42Å |
| 504 | Q | 80.8 | Confident | 79.5 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176.6 | -176.6 | 177.9 | -7 | 0 | 0 | 111.8 | A500 A501 I502 T507 T508 | A500-Q504 VanDerWaalsContact O-CB 3.32Å; A500-Q504 WeakPolarHBondContact O-CB 3.49Å; A500-Q504 PolarHBondContact O-N 3.13Å; A501-Q504 PolarHBondContact O-N 2.94Å; I502-Q504 VanDerWaalsContact C-N 3.3Å; I502-Q504 PolarHBondContact O-N 2.89Å; Q504-T507 PolarHBondContact O-N 3.26Å; Q504-T507 PolarHBondContact O-OG1 3.44Å; Q504-T508 WeakPolarHBondContact O-CB 3.47Å; Q504-T508 PolarHBondContact O-N 3.33Å; Q504-T508 VanDerWaalsContact O-N 3.14Å; Q504-T508 PolarHBondContact O-OG1 3Å |
| 505 | F | 81.3 | Confident | 79.7 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 173.6 | -177.5 | -84.3 | 0 | 0 | 0 | 111.3 | E464 W465 F468 A501 I502 M503 T507 T508 I510 | E464-F505 HydrophobicContact CB-CZ 4.23Å; W465-F505 HydrophobicContact CB-CE1 4.16Å; W465-F505 HydrophobicContact CB-CZ 4.2Å; W465-F505 AromaticContact CE3-CD1 3.74Å; W465-F505 HydrophobicContact CE3-CD1 3.74Å; W465-F505 AromaticContact CE3-CE1 3.7Å; W465-F505 HydrophobicContact CE3-CE1 3.7Å; W465-F505 HydrophobicContact CE3-CZ 4.44Å; W465-F505 HydrophobicContact CZ3-CD1 4.14Å; F468-F505 HydrophobicContact CB-CD2 3.91Å; F468-F505 HydrophobicContact CB-CE2 3.61Å; F468-F505 HydrophobicContact CB-CZ 4.24Å; F468-F505 HydrophobicContact CD1-CB 4.04Å; F468-F505 HydrophobicContact CD1-CD1 4.21Å; F468-F505 AromaticContact CD1-CD2 3.59Å; F468-F505 HydrophobicContact CD1-CD2 3.59Å; F468-F505 HydrophobicContact CD1-CE2 4.03Å; F468-F505 AromaticContact CD1-CG 3.69Å; F468-F505 HydrophobicContact CD1-CG 3.69Å; F468-F505 AromaticContact CD2-CD2 3.75Å; F468-F505 HydrophobicContact CD2-CD2 3.75Å; F468-F505 HydrophobicContact CD2-CE2 4.29Å; F468-F505 HydrophobicContact CD2-CG 4.47Å; F468-F505 HydrophobicContact CE1-CB 3.51Å; F468-F505 HydrophobicContact CE1-CD1 4.39Å; F468-F505 AromaticContact CE1-CD2 3.94Å; F468-F505 HydrophobicContact CE1-CD2 3.94Å; F468-F505 AromaticContact CE1-CG 3.71Å; F468-F505 HydrophobicContact CE1-CG 3.71Å; F468-F505 HydrophobicContact CE2-CB 4.22Å; F468-F505 HydrophobicContact CE2-CD2 4.1Å; F468-F505 AromaticContact CG-CD2 3.47Å; F468-F505 HydrophobicContact CG-CD2 3.47Å; F468-F505 VanDerWaalsContact CG-CD2 3.47Å; F468-F505 AromaticContact CG-CE2 3.74Å; F468-F505 HydrophobicContact CG-CE2 3.74Å; F468-F505 HydrophobicContact CG-CG 4.08Å; F468-F505 HydrophobicContact CZ-CB 3.61Å; F468-F505 HydrophobicContact CZ-CD2 4.18Å; F468-F505 HydrophobicContact CZ-CG 4.13Å; A501-F505 PolarHBondContact O-N 2.87Å; I502-F505 PolarHBondContact O-N 3.43Å; M503-F505 PolarHBondContact O-N 2.98Å; F505-T507 PolarHBondContact O-N 2.81Å; F505-T507 VanDerWaalsContact O-N 3.15Å; F505-T508 PolarHBondContact O-N 2.97Å; F505-T508 VanDerWaalsContact O-N 3.09Å; F505-I510 HydrophobicContact CD2-CD1 4.16Å; F505-I510 HydrophobicContact CE1-CD1 4.05Å; F505-I510 HydrophobicContact CE2-CD1 3.51Å; F505-I510 HydrophobicContact CZ-CD1 3.44Å; F505-I510 VanDerWaalsContact CZ-CD1 3.44Å |
| 506 | L | 76 | Confident | 79.9 | Confident | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.6 | -15.8 | -178.5 | -65.6 | 167.1 | 0 | 0 | 0 | 114.5 | V450 L452 Q456 L459 W465 I502 M503 | V450-L506 HydrophobicContact CG1-CD1 4.33Å; L452-L506 HydrophobicContact CD2-CD1 3.53Å; L452-L506 HydrophobicContact CD2-CD2 4.16Å; L452-L506 HydrophobicContact CD2-CG 4.46Å; Q456-L506 HydrophobicContact CB-CD2 4.5Å; Q456-L506 PolarHBondContact NE2-O 3.45Å; L459-L506 HydrophobicContact CB-CD2 4.39Å; L459-L506 HydrophobicContact CD1-CD2 4.17Å; W465-L506 HydrophobicContact CZ3-CD2 4.46Å; I502-L506 HydrophobicContact CG2-CD1 3.74Å; I502-L506 HydrophobicContact CG2-CG 4.46Å; I502-L506 VanDerWaalsContact O-CG 3.3Å; I502-L506 WeakPolarHBondContact O-CG 3.24Å; I502-L506 PolarHBondContact O-N 2.88Å; M503-L506 PolarHBondContact O-N 3.47Å; M503-L506 HydrophobicContact SD-CD1 4.48Å |
| 507 | T | 73.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -2.8 | 174.6 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | M503 Q504 F505 | M503-T507 WeakPolarHBondContact O-CG2 3.11Å; M503-T507 PolarHBondContact O-N 3.21Å; M503-T507 PolarHBondContact O-OG1 3.42Å; Q504-T507 PolarHBondContact O-N 3.26Å; Q504-T507 PolarHBondContact O-OG1 3.44Å; F505-T507 PolarHBondContact O-N 2.81Å; F505-T507 VanDerWaalsContact O-N 3.15Å |
| 508 | T | 76.8 | Confident | 80.3 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -95.3 | 121.8 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | Q504 F505 I510 | Q504-T508 WeakPolarHBondContact O-CB 3.47Å; Q504-T508 PolarHBondContact O-N 3.33Å; Q504-T508 VanDerWaalsContact O-N 3.14Å; Q504-T508 PolarHBondContact O-OG1 3Å; F505-T508 PolarHBondContact O-N 2.97Å; F505-T508 VanDerWaalsContact O-N 3.09Å; T508-I510 PolarHBondContact O-N 2.85Å; T508-I510 VanDerWaalsContact O-N 3.15Å |
| 509 | P | 67.9 | Low | 80.4 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 71% | 0.708 | 34% | 0.34 | S | S | * | . | trans | -67.6 | 114.4 | 173.6 | 27.4 | -32.7 | 0 | 0 | 0 | 109.5 | ||||
| 510 | I | 74.3 | Confident | 80.5 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | trans | -92.4 | 108.6 | 176.5 | -54.3 | 177.8 | 0 | 0 | 0 | 108.1 | E464 F505 T508 A559 | E464-I510 HydrophobicContact CB-CD1 4.49Å; E464-I510 HydrophobicContact CG-CG2 4.49Å; F505-I510 HydrophobicContact CD2-CD1 4.16Å; F505-I510 HydrophobicContact CE1-CD1 4.05Å; F505-I510 HydrophobicContact CE2-CD1 3.51Å; F505-I510 HydrophobicContact CZ-CD1 3.44Å; F505-I510 VanDerWaalsContact CZ-CD1 3.44Å; T508-I510 PolarHBondContact O-N 2.85Å; T508-I510 VanDerWaalsContact O-N 3.15Å; I510-A559 HydrophobicContact CB-CB 4.15Å; I510-A559 HydrophobicContact CG2-CB 4Å; I510-A559 PolarHBondContact O-N 2.92Å | ||
| 511 | E | 76.9 | Confident | 80.6 | Confident | 146 Ų | 146 | 59.4 Ų | 59.4 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 138.2 | 167.7 | -69.8 | 178.7 | -176.9 | 0 | 0 | 110.2 | H556 G557 | E511-H556 IonicContact OE2-CE1 3.7Å; E511-G557 CarbonylContact C-O 3.54Å; E511-G557 WeakPolarHBondContact CA-O 3.34Å |
| 512 | R | 80.4 | Confident | 80.8 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.9 | 177.2 | 173.1 | 158.4 | 162.6 | -179 | -12.2 | 110.1 | E464 H556 G557 A559 C562 E566 | E464-R512 WeakPolarHBondContact OE1-CD 3.27Å; E464-R512 IonicContact OE1-CZ 2.74Å; E464-R512 IonicContact OE1-NE 2.69Å; E464-R512 IonicContact OE1-NH1 2.67Å; E464-R512 PolarHBondContact OE1-NH1 3.29Å; E464-R512 IonicContact OE2-NH1 2.65Å; R512-H556 WeakPolarHBondContact O-CA 3.38Å; R512-H556 PolarHBondContact O-ND1 3.24Å; R512-G557 PolarHBondContact N-O 3.39Å; R512-G557 PolarHBondContact O-N 3.06Å; R512-A559 HydrophobicContact CB-CB 4.27Å; R512-C562 HydrophobicContact CB-CB 4.09Å; R512-C562 HydrophobicContact CG-CB 4.16Å; R512-E566 IonicContact CZ-OE2 3.62Å; R512-E566 IonicContact NE-OE2 2.78Å; R512-E566 VanDerWaalsContact NH2-CD 3.31Å; R512-E566 IonicContact NH2-OE1 3Å; R512-E566 PolarHBondContact NH2-OE1 3.21Å; R512-E566 IonicContact NH2-OE2 3.78Å; R512-E566 PolarHBondContact NH2-OE2 3.38Å |
| 513 | E | 82.6 | Confident | 81 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.9 | 161.7 | 178.9 | 170.8 | 154.5 | 0 | 0 | 108 | K554 I555 | E513-K554 HydrophobicContact CG-CD 4.42Å; E513-K554 HydrophobicContact CG-CG 4.29Å; E513-K554 WeakPolarHBondContact OE1-CE 3.48Å; E513-K554 IonicContact OE1-NZ 2.79Å; E513-K554 PolarHBondContact OE1-NZ 3.19Å; E513-K554 VanDerWaalsContact OE2-CE 3.24Å; E513-K554 WeakPolarHBondContact OE2-CE 3.28Å; E513-K554 IonicContact OE2-NZ 3.77Å; E513-K554 PolarHBondContact OE2-NZ 3.27Å; E513-I555 WeakPolarHBondContact CA-O 3.4Å |
| 514 | A | 82.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K554 I555 E566 | A514-K554 CarbonylContact O-C 3.58Å; A514-K554 WeakPolarHBondContact O-CA 3.34Å; A514-I555 HydrophobicContact CB-CB 4.38Å; A514-I555 PolarHBondContact N-O 3.13Å; A514-I555 PolarHBondContact O-N 2.9Å; A514-E566 VanDerWaalsContact CB-OE2 3.25Å; A514-E566 WeakPolarHBondContact CB-OE2 3.36Å |
| 515 | L | 85 | Confident | 81.8 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 55% | 0.55 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108.6 | -179.5 | 176.7 | 59.6 | 0 | 0 | 0 | 110 | T517 L545 | L515-T517 HydrophobicContact CD2-CG2 4.28Å; L515-T517 HydrophobicContact CG-CG2 4.07Å; L515-L545 HydrophobicContact CD1-CD1 3.57Å |
| 516 | L | 85.1 | Confident | 82 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 100.3 | 176.6 | -175.8 | 70 | 0 | 0 | 0 | 109.3 | M518 G552 L553 L569 Q570 V573 | L516-M518 HydrophobicContact CB-CE 4.48Å; L516-M518 HydrophobicContact CD2-CE 3.82Å; L516-M518 HydrophobicContact CG-CE 3.89Å; L516-G552 CarbonylContact O-C 3.59Å; L516-G552 WeakPolarHBondContact O-CA 3.43Å; L516-L553 HydrophobicContact CB-CB 4.46Å; L516-L553 PolarHBondContact N-O 2.8Å; L516-L553 PolarHBondContact O-N 3.38Å; L516-L569 HydrophobicContact CD2-CB 3.57Å; L516-Q570 HydrophobicContact CD1-CB 4.24Å; L516-V573 HydrophobicContact CD2-CG2 4.1Å |
| 517 | T | 84.8 | Confident | 82.5 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 144.7 | -179.7 | 51 | 0 | 0 | 0 | 0 | 112.4 | L515 C551 | L515-T517 HydrophobicContact CD2-CG2 4.28Å; L515-T517 HydrophobicContact CG-CG2 4.07Å; T517-C551 WeakPolarHBondContact CA-O 3.28Å |
| 518 | M | 85.8 | Confident | 83 | Confident | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | trans | -160.6 | 165.1 | -177.9 | 64.5 | -169.4 | 73.1 | 0 | 0 | 113 | L516 M522 L523 I526 C551 L553 V573 | L516-M518 HydrophobicContact CB-CE 4.48Å; L516-M518 HydrophobicContact CD2-CE 3.82Å; L516-M518 HydrophobicContact CG-CE 3.89Å; M518-M522 HydrophobicContact CB-CB 4.13Å; M518-M522 HydrophobicContact CB-CG 4.11Å; M518-M522 HydrophobicContact CG-CB 4.24Å; M518-M522 HydrophobicContact CG-CG 4.38Å; M518-M522 HydrophobicContact SD-CB 4.33Å; M518-M522 HydrophobicContact SD-CG 4.05Å; M518-L523 HydrophobicContact CG-CB 4Å; M518-L523 VanDerWaalsContact SD-CA 3.56Å; M518-L523 HydrophobicContact SD-CB 3.82Å; M518-L523 HydrophobicContact SD-CD1 4.1Å; M518-I526 HydrophobicContact SD-CD1 4.07Å; M518-C551 PolarHBondContact N-O 2.86Å; M518-C551 WeakPolarHBondContact O-CB 3.23Å; M518-L553 HydrophobicContact CE-CB 4.43Å; M518-L553 HydrophobicContact CE-CD1 4.11Å; M518-L553 HydrophobicContact CE-CG 3.91Å; M518-V573 HydrophobicContact CE-CG2 3.87Å; M518-V573 HydrophobicContact SD-CG2 4.38Å | ||
| 519 | E | 84.3 | Confident | 83.4 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | trans | -59.9 | 141.1 | 173.3 | -170.6 | 176.8 | -171.2 | 0 | 0 | 110.2 | G521 M522 L523 K615 H821 F823 | E519-G521 PolarHBondContact O-N 2.92Å; E519-M522 HydrophobicContact CB-CB 4.41Å; E519-M522 WeakPolarHBondContact O-CA 3.45Å; E519-M522 VanDerWaalsContact O-CB 3.25Å; E519-M522 WeakPolarHBondContact O-CB 3.36Å; E519-M522 PolarHBondContact O-N 3.5Å; E519-L523 PolarHBondContact O-N 2.94Å; E519-L523 VanDerWaalsContact O-N 3.17Å; E519-K615 IonicContact OE1-NZ 3.18Å; E519-K615 PolarHBondContact OE1-NZ 3.33Å; E519-H821 IonicContact OE1-CE1 2.66Å; E519-H821 PolarHBondContact OE1-CE1 3.29Å; E519-H821 VanDerWaalsContact OE1-CE1 3.28Å; E519-H821 IonicContact OE1-ND1 3.83Å; E519-H821 PolarHBondContact OE1-ND1 3.41Å; E519-H821 VanDerWaalsContact OE1-ND1 3.1Å; E519-H821 IonicContact OE2-CE1 2.8Å; E519-H821 IonicContact OE2-ND1 3.52Å; E519-H821 PolarHBondContact OE2-ND1 2.85Å; E519-F823 HydrophobicContact CG-CZ 4.36Å; E519-F823 WeakPolarHBondContact OE2-CE1 3.45Å; E519-F823 VanDerWaalsContact OE2-CZ 3.3Å; E519-F823 WeakPolarHBondContact OE2-CZ 3.5Å | ||
| 520 | P | 84.9 | Confident | 84.1 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -52.3 | -32.7 | 179.6 | -27.1 | 31.1 | 0 | 0 | 0 | 114.6 | K524 C551 | P520-K524 WeakPolarHBondContact O-CG 3.48Å; P520-K524 PolarHBondContact O-N 3.44Å; P520-C551 HydrophobicContact CB-CB 4.36Å; P520-C551 HydrophobicContact CG-CB 4.06Å |
| 521 | G | 84.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.7 | -29.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E519 K524 Y525 Y611 | E519-G521 PolarHBondContact O-N 2.92Å; G521-K524 PolarHBondContact O-N 3.22Å; G521-Y525 WeakPolarHBondContact O-CB 3.34Å; G521-Y525 PolarHBondContact O-N 3.43Å; G521-Y611 WeakPolarHBondContact O-CD1 3.43Å |
| 522 | M | 87.1 | Confident | 84.7 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 172 | -173.4 | 64.7 | 76.6 | 0 | 0 | 110.5 | M518 E519 K524 Y525 I526 V576 F823 | M518-M522 HydrophobicContact CB-CB 4.13Å; M518-M522 HydrophobicContact CB-CG 4.11Å; M518-M522 HydrophobicContact CG-CB 4.24Å; M518-M522 HydrophobicContact CG-CG 4.38Å; M518-M522 HydrophobicContact SD-CB 4.33Å; M518-M522 HydrophobicContact SD-CG 4.05Å; E519-M522 HydrophobicContact CB-CB 4.41Å; E519-M522 WeakPolarHBondContact O-CA 3.45Å; E519-M522 VanDerWaalsContact O-CB 3.25Å; E519-M522 WeakPolarHBondContact O-CB 3.36Å; E519-M522 PolarHBondContact O-N 3.5Å; M522-K524 VanDerWaalsContact C-N 3.33Å; M522-K524 PolarHBondContact O-N 3.33Å; M522-Y525 WeakPolarHBondContact O-CB 3.3Å; M522-Y525 PolarHBondContact O-N 2.87Å; M522-I526 HydrophobicContact CG-CD1 4.09Å; M522-I526 WeakPolarHBondContact O-CG1 3.44Å; M522-I526 PolarHBondContact O-N 2.96Å; M522-I526 HydrophobicContact SD-CD1 4.4Å; M522-V576 HydrophobicContact CE-CB 3.75Å; M522-V576 HydrophobicContact CE-CG1 3.75Å; M522-V576 HydrophobicContact SD-CB 3.49Å; M522-V576 WeakPolarHBondContact SD-CB 3.28Å; M522-V576 HydrophobicContact SD-CG1 3.48Å; M522-V576 WeakPolarHBondContact SD-CG1 3.37Å; M522-V576 HydrophobicContact SD-CG2 3.9Å; M522-F823 HydrophobicContact CB-CD1 4.35Å; M522-F823 HydrophobicContact CB-CE1 4.27Å; M522-F823 HydrophobicContact CE-CD1 4.1Å; M522-F823 HydrophobicContact SD-CD1 4.38Å |
| 523 | L | 87.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 175.9 | 179.6 | 59.7 | 0 | 0 | 0 | 111.4 | M518 E519 I526 Q527 P544 L545 E546 C551 L553 | M518-L523 HydrophobicContact CG-CB 4Å; M518-L523 VanDerWaalsContact SD-CA 3.56Å; M518-L523 HydrophobicContact SD-CB 3.82Å; M518-L523 HydrophobicContact SD-CD1 4.1Å; E519-L523 PolarHBondContact O-N 2.94Å; E519-L523 VanDerWaalsContact O-N 3.17Å; L523-I526 PolarHBondContact O-N 3.32Å; L523-Q527 HydrophobicContact CD1-CG 4.41Å; L523-Q527 WeakPolarHBondContact O-CB 3.5Å; L523-Q527 VanDerWaalsContact O-CG 3.27Å; L523-Q527 WeakPolarHBondContact O-CG 3.43Å; L523-Q527 PolarHBondContact O-N 3.48Å; L523-P544 HydrophobicContact CD1-CB 4.32Å; L523-L545 VanDerWaalsContact CD2-O 3.27Å; L523-L545 WeakPolarHBondContact CD2-O 3.26Å; L523-E546 HydrophobicContact CD2-CG 3.79Å; L523-C551 HydrophobicContact CD2-CB 4.16Å; L523-L553 HydrophobicContact CD1-CD2 3.48Å; L523-L553 VanDerWaalsContact CD1-CD2 3.48Å; L523-L553 HydrophobicContact CD1-CG 3.92Å |
| 524 | K | 86.6 | Confident | 84.9 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 176.7 | -68.1 | -73.4 | 158 | -155.9 | 0 | 112.7 | P520 G521 M522 Q527 I528 E546 Y611 | P520-K524 WeakPolarHBondContact O-CG 3.48Å; P520-K524 PolarHBondContact O-N 3.44Å; G521-K524 PolarHBondContact O-N 3.22Å; M522-K524 VanDerWaalsContact C-N 3.33Å; M522-K524 PolarHBondContact O-N 3.33Å; K524-Q527 PolarHBondContact O-N 2.9Å; K524-I528 WeakPolarHBondContact O-CB 3.44Å; K524-I528 WeakPolarHBondContact O-CD1 3.2Å; K524-I528 VanDerWaalsContact O-CG1 3.26Å; K524-I528 WeakPolarHBondContact O-CG1 3.33Å; K524-I528 PolarHBondContact O-N 2.98Å; K524-I528 VanDerWaalsContact O-N 3.09Å; K524-E546 VanDerWaalsContact CE-OE2 3.26Å; K524-E546 WeakPolarHBondContact CE-OE2 3.41Å; K524-E546 IonicContact NZ-OE1 3.48Å; K524-E546 PolarHBondContact NZ-OE1 3.46Å; K524-E546 IonicContact NZ-OE2 3.47Å; K524-E546 PolarHBondContact NZ-OE2 3.07Å; K524-Y611 HydrophobicContact CB-CD1 3.94Å; K524-Y611 HydrophobicContact CB-CD2 4.25Å; K524-Y611 HydrophobicContact CB-CE1 3.52Å; K524-Y611 HydrophobicContact CB-CE2 3.85Å; K524-Y611 HydrophobicContact CB-CG 4.29Å; K524-Y611 VanDerWaalsContact CB-CZ 3.46Å; K524-Y611 HydrophobicContact CG-CE1 4.22Å |
| 525 | Y | 88.8 | Confident | 84.8 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 173.4 | 179.1 | -91.2 | 0 | 0 | 0 | 111.6 | G521 M522 I528 H529 V576 Q609 F823 G825 | G521-Y525 WeakPolarHBondContact O-CB 3.34Å; G521-Y525 PolarHBondContact O-N 3.43Å; M522-Y525 WeakPolarHBondContact O-CB 3.3Å; M522-Y525 PolarHBondContact O-N 2.87Å; Y525-I528 PolarHBondContact O-N 3.25Å; Y525-H529 AromaticContact CD2-CD2 3.58Å; Y525-H529 HydrophobicContact CE1-CB 4.45Å; Y525-H529 HydrophobicContact CE2-CB 4.31Å; Y525-H529 AromaticContact CE2-CD2 3.48Å; Y525-H529 VanDerWaalsContact CE2-CD2 3.48Å; Y525-H529 WeakPolarHBondContact CE2-CD2 3.29Å; Y525-H529 PolarHBondContact O-N 3.27Å; Y525-V576 HydrophobicContact CD1-CG1 4Å; Y525-V576 HydrophobicContact CD1-CG2 3.81Å; Y525-V576 HydrophobicContact CE1-CG1 4.16Å; Y525-V576 HydrophobicContact CE1-CG2 3.65Å; Y525-V576 HydrophobicContact CG-CG1 4.45Å; Y525-Q609 WeakPolarHBondContact CE2-O 3.43Å; Y525-F823 HydrophobicContact CD2-CB 3.91Å; Y525-F823 VanDerWaalsContact CD2-O 3.31Å; Y525-F823 WeakPolarHBondContact CD2-O 3.47Å; Y525-F823 WeakPolarHBondContact CE2-O 3.22Å; Y525-F823 HydrophobicContact CG-CB 3.98Å; Y525-G825 PolarHBondContact OH-N 2.88Å |
| 526 | I | 87.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | -179.4 | -66.3 | 172.8 | 0 | 0 | 0 | 111.1 | M518 M522 L523 I528 C530 L534 L553 V572 V573 | M518-I526 HydrophobicContact SD-CD1 4.07Å; M522-I526 HydrophobicContact CG-CD1 4.09Å; M522-I526 WeakPolarHBondContact O-CG1 3.44Å; M522-I526 PolarHBondContact O-N 2.96Å; M522-I526 HydrophobicContact SD-CD1 4.4Å; L523-I526 PolarHBondContact O-N 3.32Å; I526-I528 VanDerWaalsContact C-N 3.26Å; I526-I528 PolarHBondContact O-N 3.06Å; I526-C530 HydrophobicContact CB-CB 4.47Å; I526-C530 HydrophobicContact CG2-CB 3.97Å; I526-C530 CarbonylContact O-C 3.59Å; I526-C530 WeakPolarHBondContact O-CA 3.48Å; I526-C530 VanDerWaalsContact O-CB 3.3Å; I526-C530 WeakPolarHBondContact O-CB 3.45Å; I526-C530 PolarHBondContact O-N 3.34Å; I526-L534 HydrophobicContact CG2-CD1 4.22Å; I526-L553 HydrophobicContact CG2-CD1 4.42Å; I526-V572 HydrophobicContact CD1-CG1 4.2Å; I526-V572 HydrophobicContact CG1-CG1 4.25Å; I526-V573 HydrophobicContact CD1-CG2 3.63Å |
| 527 | Q | 85 | Confident | 84.6 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -34.8 | 174 | -79.3 | 177.5 | -11 | 0 | 0 | 113.4 | L523 K524 E546 | L523-Q527 HydrophobicContact CD1-CG 4.41Å; L523-Q527 WeakPolarHBondContact O-CB 3.5Å; L523-Q527 VanDerWaalsContact O-CG 3.27Å; L523-Q527 WeakPolarHBondContact O-CG 3.43Å; L523-Q527 PolarHBondContact O-N 3.48Å; K524-Q527 PolarHBondContact O-N 2.9Å; Q527-E546 PolarHBondContact NE2-OE1 3.05Å; Q527-E546 PolarHBondContact OE1-OE1 2.91Å |
| 528 | I | 84.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 53.5 Ų | 53.5 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -89.6 | -53.5 | -175.4 | -66.1 | 166.3 | 0 | 0 | 0 | 111.2 | K524 Y525 I526 H531 Y611 | K524-I528 WeakPolarHBondContact O-CB 3.44Å; K524-I528 WeakPolarHBondContact O-CD1 3.2Å; K524-I528 VanDerWaalsContact O-CG1 3.26Å; K524-I528 WeakPolarHBondContact O-CG1 3.33Å; K524-I528 PolarHBondContact O-N 2.98Å; K524-I528 VanDerWaalsContact O-N 3.09Å; Y525-I528 PolarHBondContact O-N 3.25Å; I526-I528 VanDerWaalsContact C-N 3.26Å; I526-I528 PolarHBondContact O-N 3.06Å; I528-H531 PolarHBondContact O-ND1 3.28Å; I528-Y611 HydrophobicContact CD1-CD2 3.77Å; I528-Y611 HydrophobicContact CD1-CE2 4.1Å |
| 529 | H | 85.4 | Confident | 83.9 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -96.5 | -22.2 | -169.1 | -62.4 | -66.6 | 0 | 0 | 0 | 113.6 | Y525 V610 | Y525-H529 AromaticContact CD2-CD2 3.58Å; Y525-H529 HydrophobicContact CE1-CB 4.45Å; Y525-H529 HydrophobicContact CE2-CB 4.31Å; Y525-H529 AromaticContact CE2-CD2 3.48Å; Y525-H529 VanDerWaalsContact CE2-CD2 3.48Å; Y525-H529 WeakPolarHBondContact CE2-CD2 3.29Å; Y525-H529 PolarHBondContact O-N 3.27Å; H529-V610 PolarHBondContact NE2-O 3.48Å |
| 530 | C | 82.8 | Confident | 84 | Confident | 25 Ų | 25 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -103.5 | 15.2 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | I526 Q532 L533 L534 | I526-C530 HydrophobicContact CB-CB 4.47Å; I526-C530 HydrophobicContact CG2-CB 3.97Å; I526-C530 CarbonylContact O-C 3.59Å; I526-C530 WeakPolarHBondContact O-CA 3.48Å; I526-C530 VanDerWaalsContact O-CB 3.3Å; I526-C530 WeakPolarHBondContact O-CB 3.45Å; I526-C530 PolarHBondContact O-N 3.34Å; C530-Q532 PolarHBondContact O-N 2.92Å; C530-L533 WeakPolarHBondContact O-CB 3.41Å; C530-L533 PolarHBondContact O-N 3.47Å; C530-L533 VanDerWaalsContact O-N 3.1Å; C530-L534 PolarHBondContact O-N 2.95Å; C530-L534 VanDerWaalsContact O-N 3.17Å |
| 531 | H | 81 | Confident | 83.9 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.1 | -33.1 | -176.2 | 67.1 | -94 | 0 | 0 | 0 | 114 | I528 L534 A535 | I528-H531 PolarHBondContact O-ND1 3.28Å; H531-L534 PolarHBondContact O-N 3.23Å; H531-A535 WeakPolarHBondContact O-CB 3.29Å; H531-A535 PolarHBondContact O-N 3Å |
| 532 | Q | 82.1 | Confident | 84 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 176.8 | -173.1 | 62.5 | 52.9 | 0 | 0 | 111.2 | C530 L534 A535 D536 | C530-Q532 PolarHBondContact O-N 2.92Å; Q532-L534 VanDerWaalsContact C-N 3.25Å; Q532-L534 PolarHBondContact O-N 3Å; Q532-A535 CarbonylContact O-C 3.56Å; Q532-A535 WeakPolarHBondContact O-CA 3.4Å; Q532-A535 WeakPolarHBondContact O-CB 3.24Å; Q532-A535 PolarHBondContact O-N 3Å; Q532-D536 PolarHBondContact NE2-OD1 3.19Å; Q532-D536 PolarHBondContact O-N 2.87Å |
| 533 | L | 84.1 | Confident | 83.8 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 176.6 | -180 | 65.9 | 0 | 0 | 0 | 112 | C530 M537 V568 V572 | C530-L533 WeakPolarHBondContact O-CB 3.41Å; C530-L533 PolarHBondContact O-N 3.47Å; C530-L533 VanDerWaalsContact O-N 3.1Å; L533-M537 HydrophobicContact CD1-CE 4.12Å; L533-M537 HydrophobicContact CG-CE 4.14Å; L533-M537 WeakPolarHBondContact O-CG 3.17Å; L533-V568 HydrophobicContact CD1-CG1 4.49Å; L533-V568 HydrophobicContact CD2-CG1 4.38Å; L533-V572 HydrophobicContact CD2-CG2 3.66Å |
| 534 | L | 83.3 | Confident | 83.7 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.8 | -30.4 | 173.7 | -66.1 | 175.5 | 0 | 0 | 0 | 112.9 | I526 C530 H531 Q532 I542 L553 L569 | I526-L534 HydrophobicContact CG2-CD1 4.22Å; C530-L534 PolarHBondContact O-N 2.95Å; C530-L534 VanDerWaalsContact O-N 3.17Å; H531-L534 PolarHBondContact O-N 3.23Å; Q532-L534 VanDerWaalsContact C-N 3.25Å; Q532-L534 PolarHBondContact O-N 3Å; L534-I542 HydrophobicContact CD2-CD1 3.99Å; L534-I542 HydrophobicContact CD2-CG2 4.31Å; L534-L553 HydrophobicContact CD2-CD1 4.35Å; L534-L569 HydrophobicContact CD2-CD1 4.42Å; L534-L569 HydrophobicContact CD2-CD2 3.8Å |
| 535 | A | 81.1 | Confident | 83.6 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -80.2 | -27.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | H531 Q532 M537 | H531-A535 WeakPolarHBondContact O-CB 3.29Å; H531-A535 PolarHBondContact O-N 3Å; Q532-A535 CarbonylContact O-C 3.56Å; Q532-A535 WeakPolarHBondContact O-CA 3.4Å; Q532-A535 WeakPolarHBondContact O-CB 3.24Å; Q532-A535 PolarHBondContact O-N 3Å; A535-M537 VanDerWaalsContact C-N 3.26Å; A535-M537 PolarHBondContact O-N 3.08Å |
| 536 | D | 82.6 | Confident | 83.2 | Confident | 100 Ų | 100 | 71 Ų | 71 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -75 | -14.4 | 176.5 | -62.5 | -25.4 | 0 | 0 | 0 | 112.5 | Q532 D538 | Q532-D536 PolarHBondContact NE2-OD1 3.19Å; Q532-D536 PolarHBondContact O-N 2.87Å; D536-D538 VanDerWaalsContact C-N 3.27Å; D536-D538 PolarHBondContact O-N 3.43Å; D536-D538 VanDerWaalsContact O-N 3.15Å |
| 537 | M | 83.1 | Confident | 82.3 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | trans | -85.6 | 51.2 | 177.5 | -71.6 | -179.8 | 178.4 | 0 | 0 | 112.9 | L533 A535 Q539 V540 I542 A565 V568 L569 | L533-M537 HydrophobicContact CD1-CE 4.12Å; L533-M537 HydrophobicContact CG-CE 4.14Å; L533-M537 WeakPolarHBondContact O-CG 3.17Å; A535-M537 VanDerWaalsContact C-N 3.26Å; A535-M537 PolarHBondContact O-N 3.08Å; M537-Q539 PolarHBondContact O-N 3.31Å; M537-Q539 VanDerWaalsContact O-N 3.1Å; M537-V540 HydrophobicContact CB-CG2 3.92Å; M537-V540 WeakPolarHBondContact O-CG2 3.34Å; M537-V540 PolarHBondContact O-N 3.37Å; M537-V540 VanDerWaalsContact O-N 3.15Å; M537-I542 HydrophobicContact CB-CD1 4.01Å; M537-I542 HydrophobicContact SD-CD1 3.74Å; M537-A565 HydrophobicContact SD-CB 4Å; M537-V568 HydrophobicContact CE-CB 3.89Å; M537-V568 HydrophobicContact CE-CG1 3.51Å; M537-L569 HydrophobicContact CE-CD2 4.34Å; M537-L569 HydrophobicContact CE-CG 4.18Å; M537-L569 HydrophobicContact SD-CD1 4.22Å; M537-L569 HydrophobicContact SD-CD2 4.45Å; M537-L569 HydrophobicContact SD-CG 4.25Å | ||
| 538 | D | 76.9 | Confident | 81 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 72% | 0.717 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.8 | -171.8 | 73.8 | -22.4 | 0 | 0 | 0 | 115.7 | D536 V540 | D536-D538 VanDerWaalsContact C-N 3.27Å; D536-D538 PolarHBondContact O-N 3.43Å; D536-D538 VanDerWaalsContact O-N 3.15Å; D538-V540 VanDerWaalsContact C-N 3.31Å; D538-V540 PolarHBondContact O-N 3.05Å |
| 539 | Q | 78.4 | Confident | 79.6 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 70% | 0.696 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.9 | 178.9 | -75 | 152.8 | 74.6 | 0 | 0 | 114.9 | M537 A561 | M537-Q539 PolarHBondContact O-N 3.31Å; M537-Q539 VanDerWaalsContact O-N 3.1Å; Q539-A561 HydrophobicContact CB-CB 4.04Å |
| 540 | V | 85.9 | Confident | 78.7 | Confident | 16 Ų | 16 | 87.6 Ų | 87.6 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.6 | 179.6 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | M537 D538 I542 I555 A561 A565 | M537-V540 HydrophobicContact CB-CG2 3.92Å; M537-V540 WeakPolarHBondContact O-CG2 3.34Å; M537-V540 PolarHBondContact O-N 3.37Å; M537-V540 VanDerWaalsContact O-N 3.15Å; D538-V540 VanDerWaalsContact C-N 3.31Å; D538-V540 PolarHBondContact O-N 3.05Å; V540-I542 HydrophobicContact CG2-CD1 3.94Å; V540-I542 HydrophobicContact CG2-CG1 3.9Å; V540-I542 PolarHBondContact O-N 2.83Å; V540-I555 HydrophobicContact CB-CG2 4Å; V540-I555 HydrophobicContact CG1-CG2 4.16Å; V540-I555 HydrophobicContact CG2-CG2 4.26Å; V540-A561 HydrophobicContact CG1-CB 3.77Å; V540-A565 HydrophobicContact CG1-CB 4.5Å; V540-A565 HydrophobicContact CG2-CB 3.84Å |
| 541 | S | 83.3 | Confident | 78.6 | Confident | 61 Ų | 61 | 87 Ų | 87 | 43% | 0.427 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 104.2 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 109.8 | H556 | S541-H556 PolarHBondContact N-O 3.3Å; S541-H556 PolarHBondContact O-N 3.47Å |
| 542 | I | 86.8 | Confident | 78.9 | Confident | 36 Ų | 36 | 81.7 Ų | 81.7 | 19% | 0.185 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.8 | 178 | -56.7 | 165.6 | 0 | 0 | 0 | 109.4 | L534 M537 V540 L553 K554 I555 L569 | L534-I542 HydrophobicContact CD2-CD1 3.99Å; L534-I542 HydrophobicContact CD2-CG2 4.31Å; M537-I542 HydrophobicContact CB-CD1 4.01Å; M537-I542 HydrophobicContact SD-CD1 3.74Å; V540-I542 HydrophobicContact CG2-CD1 3.94Å; V540-I542 HydrophobicContact CG2-CG1 3.9Å; V540-I542 PolarHBondContact O-N 2.83Å; I542-L553 HydrophobicContact CG2-CB 4.2Å; I542-L553 HydrophobicContact CG2-CD1 4.4Å; I542-L553 HydrophobicContact CG2-CD2 4.06Å; I542-L553 HydrophobicContact CG2-CG 4.45Å; I542-K554 CarbonylContact C-O 3.57Å; I542-K554 WeakPolarHBondContact CA-O 3.24Å; I542-I555 HydrophobicContact CG1-CG1 4.48Å; I542-I555 HydrophobicContact CG1-CG2 4.34Å; I542-L569 HydrophobicContact CD1-CD1 4.11Å |
| 543 | F | 83.6 | Confident | 79.1 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.8 | 179.1 | -58.6 | -80 | 0 | 0 | 0 | 110.6 | K554 | F543-K554 HydrophobicContact CB-CB 4.43Å; F543-K554 PolarHBondContact N-O 3.1Å; F543-K554 PolarHBondContact O-N 3.45Å |
| 544 | P | 84.8 | Confident | 79.2 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 137.1 | 171.2 | 30.3 | -33.2 | 0 | 0 | 0 | 110.9 | L523 L553 | L523-P544 HydrophobicContact CD1-CB 4.32Å; P544-L553 HydrophobicContact CB-CD2 4.32Å |
| 545 | L | 84.5 | Confident | 79.5 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.9 | 171.2 | -69.7 | 173.1 | 0 | 0 | 0 | 108.4 | L515 L523 C551 G552 K554 | L515-L545 HydrophobicContact CD1-CD1 3.57Å; L523-L545 VanDerWaalsContact CD2-O 3.27Å; L523-L545 WeakPolarHBondContact CD2-O 3.26Å; L545-C551 WeakPolarHBondContact O-CA 3.06Å; L545-G552 PolarHBondContact N-O 3.28Å; L545-G552 PolarHBondContact O-N 2.96Å; L545-K554 HydrophobicContact CD1-CB 3.82Å; L545-K554 HydrophobicContact CG-CB 4.19Å |
| 546 | E | 79.6 | Confident | 79.7 | Confident | 114 Ų | 114 | 74.4 Ų | 74.4 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | trans | -114.7 | 104.4 | -177.7 | -64.4 | -175.8 | -155 | 0 | 0 | 108.8 | L523 K524 Q527 | L523-E546 HydrophobicContact CD2-CG 3.79Å; K524-E546 VanDerWaalsContact CE-OE2 3.26Å; K524-E546 WeakPolarHBondContact CE-OE2 3.41Å; K524-E546 IonicContact NZ-OE1 3.48Å; K524-E546 PolarHBondContact NZ-OE1 3.46Å; K524-E546 IonicContact NZ-OE2 3.47Å; K524-E546 PolarHBondContact NZ-OE2 3.07Å; Q527-E546 PolarHBondContact NE2-OE1 3.05Å; Q527-E546 PolarHBondContact OE1-OE1 2.91Å | ||
| 547 | G | 68.3 | Low | 79.8 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | trans | -152.9 | 146.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E549 N550 C551 | G547-E549 VanDerWaalsContact C-N 3.32Å; G547-E549 PolarHBondContact O-N 3.14Å; G547-N550 CarbonylContact O-C 3.54Å; G547-N550 PolarHBondContact O-N 2.86Å; G547-C551 PolarHBondContact N-SG 3.04Å; G547-C551 VanDerWaalsContact N-SG 3.43Å; G547-C551 PolarHBondContact O-N 3.47Å; G547-C551 PolarHBondContact O-SG 3.41Å | ||
| 548 | E | 57.9 | Low | 79.7 | Confident | 202 Ų | 202 | 74.1 Ų | 74.1 | 94% | 0.944 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -61.7 | -34.3 | -163.9 | -61.7 | -174.8 | 150.6 | 0 | 0 | 114.1 | ||
| 549 | E | 56.4 | Low | 79.7 | Confident | 188 Ų | 188 | 67.8 Ų | 67.8 | 88% | 0.879 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -103.1 | -19.9 | 177.5 | -60.7 | -171.9 | 149.6 | 0 | 0 | 114 | G547 | G547-E549 VanDerWaalsContact C-N 3.32Å; G547-E549 PolarHBondContact O-N 3.14Å |
| 550 | N | 65.6 | Low | 79.7 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | trans | -137.5 | 80.4 | -174.5 | -79.4 | -54.4 | 0 | 0 | 0 | 111 | G547 | G547-N550 CarbonylContact O-C 3.54Å; G547-N550 PolarHBondContact O-N 2.86Å | ||
| 551 | C | 81.1 | Confident | 79.5 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | trans | -88.6 | 147.5 | 166.9 | -82.4 | 0 | 0 | 0 | 0 | 111.5 | T517 M518 P520 L523 L545 G547 | T517-C551 WeakPolarHBondContact CA-O 3.28Å; M518-C551 PolarHBondContact N-O 2.86Å; M518-C551 WeakPolarHBondContact O-CB 3.23Å; P520-C551 HydrophobicContact CB-CB 4.36Å; P520-C551 HydrophobicContact CG-CB 4.06Å; L523-C551 HydrophobicContact CD2-CB 4.16Å; L545-C551 WeakPolarHBondContact O-CA 3.06Å; G547-C551 PolarHBondContact N-SG 3.04Å; G547-C551 VanDerWaalsContact N-SG 3.43Å; G547-C551 PolarHBondContact O-N 3.47Å; G547-C551 PolarHBondContact O-SG 3.41Å | ||
| 552 | G | 87 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | -175.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | L516 L545 | L516-G552 CarbonylContact O-C 3.59Å; L516-G552 WeakPolarHBondContact O-CA 3.43Å; L545-G552 PolarHBondContact N-O 3.28Å; L545-G552 PolarHBondContact O-N 2.96Å |
| 553 | L | 87.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.3 | 166.8 | -64.3 | 175.3 | 0 | 0 | 0 | 109 | L516 M518 L523 I526 L534 I542 P544 L569 | L516-L553 HydrophobicContact CB-CB 4.46Å; L516-L553 PolarHBondContact N-O 2.8Å; L516-L553 PolarHBondContact O-N 3.38Å; M518-L553 HydrophobicContact CE-CB 4.43Å; M518-L553 HydrophobicContact CE-CD1 4.11Å; M518-L553 HydrophobicContact CE-CG 3.91Å; L523-L553 HydrophobicContact CD1-CD2 3.48Å; L523-L553 VanDerWaalsContact CD1-CD2 3.48Å; L523-L553 HydrophobicContact CD1-CG 3.92Å; I526-L553 HydrophobicContact CG2-CD1 4.42Å; L534-L553 HydrophobicContact CD2-CD1 4.35Å; I542-L553 HydrophobicContact CG2-CB 4.2Å; I542-L553 HydrophobicContact CG2-CD1 4.4Å; I542-L553 HydrophobicContact CG2-CD2 4.06Å; I542-L553 HydrophobicContact CG2-CG 4.45Å; P544-L553 HydrophobicContact CB-CD2 4.32Å; L553-L569 HydrophobicContact CD1-CD1 4.11Å; L553-L569 HydrophobicContact CD1-CD2 4.4Å |
| 554 | K | 86.4 | Confident | 79.2 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.1 | 168.7 | 165.7 | 169.4 | 171.6 | 149.2 | 0 | 108.6 | E513 A514 I542 F543 L545 | E513-K554 HydrophobicContact CG-CD 4.42Å; E513-K554 HydrophobicContact CG-CG 4.29Å; E513-K554 WeakPolarHBondContact OE1-CE 3.48Å; E513-K554 IonicContact OE1-NZ 2.79Å; E513-K554 PolarHBondContact OE1-NZ 3.19Å; E513-K554 VanDerWaalsContact OE2-CE 3.24Å; E513-K554 WeakPolarHBondContact OE2-CE 3.28Å; E513-K554 IonicContact OE2-NZ 3.77Å; E513-K554 PolarHBondContact OE2-NZ 3.27Å; A514-K554 CarbonylContact O-C 3.58Å; A514-K554 WeakPolarHBondContact O-CA 3.34Å; I542-K554 CarbonylContact C-O 3.57Å; I542-K554 WeakPolarHBondContact CA-O 3.24Å; F543-K554 HydrophobicContact CB-CB 4.43Å; F543-K554 PolarHBondContact N-O 3.1Å; F543-K554 PolarHBondContact O-N 3.45Å; L545-K554 HydrophobicContact CD1-CB 3.82Å; L545-K554 HydrophobicContact CG-CB 4.19Å |
| 555 | I | 89.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.9 | 179.9 | -49 | 172 | 0 | 0 | 0 | 107.6 | E513 A514 V540 I542 C562 A565 E566 L569 | E513-I555 WeakPolarHBondContact CA-O 3.4Å; A514-I555 HydrophobicContact CB-CB 4.38Å; A514-I555 PolarHBondContact N-O 3.13Å; A514-I555 PolarHBondContact O-N 2.9Å; V540-I555 HydrophobicContact CB-CG2 4Å; V540-I555 HydrophobicContact CG1-CG2 4.16Å; V540-I555 HydrophobicContact CG2-CG2 4.26Å; I542-I555 HydrophobicContact CG1-CG1 4.48Å; I542-I555 HydrophobicContact CG1-CG2 4.34Å; I555-C562 HydrophobicContact CG2-CB 4.46Å; I555-A565 HydrophobicContact CD1-CB 4.42Å; I555-A565 HydrophobicContact CG2-CB 4.15Å; I555-E566 HydrophobicContact CD1-CB 4.19Å; I555-L569 HydrophobicContact CD1-CD1 3.84Å; I555-L569 HydrophobicContact CG1-CD1 4.4Å |
| 556 | H | 84.7 | Confident | 79.3 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.6 | 179.5 | 174.6 | 59.4 | 0 | 0 | 0 | 112.1 | E511 R512 S541 C562 | E511-H556 IonicContact OE2-CE1 3.7Å; R512-H556 WeakPolarHBondContact O-CA 3.38Å; R512-H556 PolarHBondContact O-ND1 3.24Å; S541-H556 PolarHBondContact N-O 3.3Å; S541-H556 PolarHBondContact O-N 3.47Å; H556-C562 VanDerWaalsContact C-SG 3.59Å |
| 557 | G | 84.7 | Confident | 79.6 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -161.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E511 R512 C562 | E511-G557 CarbonylContact C-O 3.54Å; E511-G557 WeakPolarHBondContact CA-O 3.34Å; R512-G557 PolarHBondContact N-O 3.39Å; R512-G557 PolarHBondContact O-N 3.06Å; G557-C562 VanDerWaalsContact C-SG 3.5Å; G557-C562 PolarHBondContact N-SG 3.14Å; G557-C562 PolarHBondContact O-SG 2.97Å |
| 558 | Q | 80.9 | Confident | 80.5 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 137.9 | 178.7 | -173.5 | 178.4 | 2 | 0 | 0 | 111.5 | V560 A561 C562 | Q558-V560 VanDerWaalsContact C-N 3.3Å; Q558-V560 PolarHBondContact O-N 3.31Å; Q558-V560 VanDerWaalsContact O-N 3.13Å; Q558-A561 PolarHBondContact O-N 3.34Å; Q558-C562 WeakPolarHBondContact O-CB 3.39Å; Q558-C562 PolarHBondContact O-N 2.88Å |
| 559 | A | 77.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51 | -42.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I510 R512 Q563 | I510-A559 HydrophobicContact CB-CB 4.15Å; I510-A559 HydrophobicContact CG2-CB 4Å; I510-A559 PolarHBondContact O-N 2.92Å; R512-A559 HydrophobicContact CB-CB 4.27Å; A559-Q563 WeakPolarHBondContact O-CB 3.48Å; A559-Q563 PolarHBondContact O-N 2.86Å |
| 560 | V | 78.9 | Confident | 83.4 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.5 | -56.8 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | A458 L459 Q558 C562 Q563 M564 | A458-V560 HydrophobicContact CB-CG1 3.67Å; A458-V560 HydrophobicContact CB-CG2 4.37Å; L459-V560 HydrophobicContact CD2-CG2 3.59Å; L459-V560 HydrophobicContact CG-CG2 4.12Å; Q558-V560 VanDerWaalsContact C-N 3.3Å; Q558-V560 PolarHBondContact O-N 3.31Å; Q558-V560 VanDerWaalsContact O-N 3.13Å; V560-C562 VanDerWaalsContact C-N 3.34Å; V560-C562 PolarHBondContact O-N 2.83Å; V560-Q563 PolarHBondContact O-N 2.88Å; V560-M564 HydrophobicContact CG1-SD 4.17Å; V560-M564 WeakPolarHBondContact O-CG 3.37Å; V560-M564 PolarHBondContact O-N 2.83Å |
| 561 | A | 80.8 | Confident | 84.3 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q539 V540 Q558 M564 A565 | Q539-A561 HydrophobicContact CB-CB 4.04Å; V540-A561 HydrophobicContact CG1-CB 3.77Å; Q558-A561 PolarHBondContact O-N 3.34Å; A561-M564 PolarHBondContact O-N 2.67Å; A561-A565 VanDerWaalsContact O-CB 3.27Å; A561-A565 WeakPolarHBondContact O-CB 3.48Å; A561-A565 PolarHBondContact O-N 3.07Å |
| 562 | C | 83.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 171.4 | -78 | 0 | 0 | 0 | 0 | 112.3 | R512 I555 H556 G557 Q558 V560 A565 E566 | R512-C562 HydrophobicContact CB-CB 4.09Å; R512-C562 HydrophobicContact CG-CB 4.16Å; I555-C562 HydrophobicContact CG2-CB 4.46Å; H556-C562 VanDerWaalsContact C-SG 3.59Å; G557-C562 VanDerWaalsContact C-SG 3.5Å; G557-C562 PolarHBondContact N-SG 3.14Å; G557-C562 PolarHBondContact O-SG 2.97Å; Q558-C562 WeakPolarHBondContact O-CB 3.39Å; Q558-C562 PolarHBondContact O-N 2.88Å; V560-C562 VanDerWaalsContact C-N 3.34Å; V560-C562 PolarHBondContact O-N 2.83Å; C562-A565 PolarHBondContact O-N 3.06Å; C562-E566 WeakPolarHBondContact O-CB 3.4Å; C562-E566 PolarHBondContact O-N 3.15Å |
| 563 | Q | 82.6 | Confident | 84.6 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 178 | -177.7 | 172.9 | -30.2 | 0 | 0 | 111.5 | A559 V560 A565 E566 E567 | A559-Q563 WeakPolarHBondContact O-CB 3.48Å; A559-Q563 PolarHBondContact O-N 2.86Å; V560-Q563 PolarHBondContact O-N 2.88Å; Q563-A565 PolarHBondContact O-N 3.14Å; Q563-E566 PolarHBondContact O-N 3.41Å; Q563-E567 HydrophobicContact CG-CG 4.43Å; Q563-E567 VanDerWaalsContact CG-OE1 3.22Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.49Å; Q563-E567 PolarHBondContact NE2-OE1 3.31Å; Q563-E567 WeakPolarHBondContact O-CB 2.98Å; Q563-E567 WeakPolarHBondContact O-CG 3.39Å; Q563-E567 PolarHBondContact O-N 2.88Å |
| 564 | M | 81.9 | Confident | 84.6 | Confident | 122 Ų | 122 | 43.6 Ų | 43.6 | 60% | 0.601 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63 | -42.2 | 175.9 | -69 | 179.2 | 68.8 | 0 | 0 | 112.1 | V560 A561 E567 V568 | V560-M564 HydrophobicContact CG1-SD 4.17Å; V560-M564 WeakPolarHBondContact O-CG 3.37Å; V560-M564 PolarHBondContact O-N 2.83Å; A561-M564 PolarHBondContact O-N 2.67Å; M564-E567 PolarHBondContact O-N 3.22Å; M564-V568 WeakPolarHBondContact O-CB 3.46Å; M564-V568 VanDerWaalsContact O-CG2 3.32Å; M564-V568 WeakPolarHBondContact O-CG2 3.18Å; M564-V568 PolarHBondContact O-N 3Å |
| 565 | A | 85.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M537 V540 I555 A561 C562 Q563 L569 | M537-A565 HydrophobicContact SD-CB 4Å; V540-A565 HydrophobicContact CG1-CB 4.5Å; V540-A565 HydrophobicContact CG2-CB 3.84Å; I555-A565 HydrophobicContact CD1-CB 4.42Å; I555-A565 HydrophobicContact CG2-CB 4.15Å; A561-A565 VanDerWaalsContact O-CB 3.27Å; A561-A565 WeakPolarHBondContact O-CB 3.48Å; A561-A565 PolarHBondContact O-N 3.07Å; C562-A565 PolarHBondContact O-N 3.06Å; Q563-A565 PolarHBondContact O-N 3.14Å; A565-L569 VanDerWaalsContact O-CB 3.24Å; A565-L569 WeakPolarHBondContact O-CB 3.46Å; A565-L569 WeakPolarHBondContact O-CG 3.47Å; A565-L569 PolarHBondContact O-N 3.13Å |
| 566 | E | 85.2 | Confident | 84.6 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 172.9 | 180 | -175.4 | 125.3 | 0 | 0 | 110.7 | R463 R512 A514 I555 C562 Q563 Q570 | R463-E566 IonicContact CZ-OE1 2.66Å; R463-E566 IonicContact NH1-OE1 3.74Å; R463-E566 PolarHBondContact NH1-OE1 3.05Å; R463-E566 IonicContact NH2-OE1 2.69Å; R463-E566 PolarHBondContact NH2-OE1 3.41Å; R463-E566 VanDerWaalsContact NH2-OE1 3.09Å; R512-E566 IonicContact CZ-OE2 3.62Å; R512-E566 IonicContact NE-OE2 2.78Å; R512-E566 VanDerWaalsContact NH2-CD 3.31Å; R512-E566 IonicContact NH2-OE1 3Å; R512-E566 PolarHBondContact NH2-OE1 3.21Å; R512-E566 IonicContact NH2-OE2 3.78Å; R512-E566 PolarHBondContact NH2-OE2 3.38Å; A514-E566 VanDerWaalsContact CB-OE2 3.25Å; A514-E566 WeakPolarHBondContact CB-OE2 3.36Å; I555-E566 HydrophobicContact CD1-CB 4.19Å; C562-E566 WeakPolarHBondContact O-CB 3.4Å; C562-E566 PolarHBondContact O-N 3.15Å; Q563-E566 PolarHBondContact O-N 3.41Å; E566-Q570 WeakPolarHBondContact O-CB 3.38Å; E566-Q570 PolarHBondContact O-N 3.4Å |
| 567 | E | 85.4 | Confident | 84.8 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | -179 | -73 | 173.1 | -165.7 | 0 | 0 | 112.5 | R463 Q563 M564 G571 | R463-E567 IonicContact NH2-OE1 2.73Å; Q563-E567 HydrophobicContact CG-CG 4.43Å; Q563-E567 VanDerWaalsContact CG-OE1 3.22Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.49Å; Q563-E567 PolarHBondContact NE2-OE1 3.31Å; Q563-E567 WeakPolarHBondContact O-CB 2.98Å; Q563-E567 WeakPolarHBondContact O-CG 3.39Å; Q563-E567 PolarHBondContact O-N 2.88Å; M564-E567 PolarHBondContact O-N 3.22Å; E567-G571 PolarHBondContact O-N 2.96Å |
| 568 | V | 87.4 | Confident | 85 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L533 M537 M564 G571 V572 | L533-V568 HydrophobicContact CD1-CG1 4.49Å; L533-V568 HydrophobicContact CD2-CG1 4.38Å; M537-V568 HydrophobicContact CE-CB 3.89Å; M537-V568 HydrophobicContact CE-CG1 3.51Å; M564-V568 WeakPolarHBondContact O-CB 3.46Å; M564-V568 VanDerWaalsContact O-CG2 3.32Å; M564-V568 WeakPolarHBondContact O-CG2 3.18Å; M564-V568 PolarHBondContact O-N 3Å; V568-G571 WeakPolarHBondContact O-CA 3.48Å; V568-G571 PolarHBondContact O-N 3.38Å; V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 2.71Å |
| 569 | L | 87.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 179.9 | -67.5 | 169.5 | 0 | 0 | 0 | 112.1 | L516 L534 M537 I542 L553 I555 A565 G571 V572 V573 | L516-L569 HydrophobicContact CD2-CB 3.57Å; L534-L569 HydrophobicContact CD2-CD1 4.42Å; L534-L569 HydrophobicContact CD2-CD2 3.8Å; M537-L569 HydrophobicContact CE-CD2 4.34Å; M537-L569 HydrophobicContact CE-CG 4.18Å; M537-L569 HydrophobicContact SD-CD1 4.22Å; M537-L569 HydrophobicContact SD-CD2 4.45Å; M537-L569 HydrophobicContact SD-CG 4.25Å; I542-L569 HydrophobicContact CD1-CD1 4.11Å; L553-L569 HydrophobicContact CD1-CD1 4.11Å; L553-L569 HydrophobicContact CD1-CD2 4.4Å; I555-L569 HydrophobicContact CD1-CD1 3.84Å; I555-L569 HydrophobicContact CG1-CD1 4.4Å; A565-L569 VanDerWaalsContact O-CB 3.24Å; A565-L569 WeakPolarHBondContact O-CB 3.46Å; A565-L569 WeakPolarHBondContact O-CG 3.47Å; A565-L569 PolarHBondContact O-N 3.13Å; L569-G571 VanDerWaalsContact C-N 3.3Å; L569-V572 PolarHBondContact O-N 2.93Å; L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 2.97Å |
| 570 | Q | 88.5 | Confident | 86 | Confident | 98 Ų | 98 | 48.8 Ų | 48.8 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 169.7 | -177.1 | 60.7 | 84.7 | 0 | 0 | 111.3 | L516 E566 S574 | L516-Q570 HydrophobicContact CD1-CB 4.24Å; E566-Q570 WeakPolarHBondContact O-CB 3.38Å; E566-Q570 PolarHBondContact O-N 3.4Å; Q570-S574 WeakPolarHBondContact O-CB 3.48Å; Q570-S574 PolarHBondContact O-N 3.35Å; Q570-S574 PolarHBondContact O-OG 2.87Å |
| 571 | G | 84.8 | Confident | 86.4 | Confident | 34 Ų | 34 | 48 Ų | 48 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.7 | -50.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E567 V568 L569 V573 S574 S575 | E567-G571 PolarHBondContact O-N 2.96Å; V568-G571 WeakPolarHBondContact O-CA 3.48Å; V568-G571 PolarHBondContact O-N 3.38Å; L569-G571 VanDerWaalsContact C-N 3.3Å; G571-V573 PolarHBondContact O-N 2.79Å; G571-S574 PolarHBondContact O-N 2.79Å; G571-S574 VanDerWaalsContact O-N 3.16Å; G571-S574 PolarHBondContact O-OG 2.69Å; G571-S575 PolarHBondContact O-N 3.19Å |
| 572 | V | 87.2 | Confident | 86.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.7 | -52 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I526 L533 V568 L569 S574 S575 V576 | I526-V572 HydrophobicContact CD1-CG1 4.2Å; I526-V572 HydrophobicContact CG1-CG1 4.25Å; L533-V572 HydrophobicContact CD2-CG2 3.66Å; V568-V572 WeakPolarHBondContact O-CG2 3.46Å; V568-V572 PolarHBondContact O-N 2.71Å; L569-V572 PolarHBondContact O-N 2.93Å; V572-S574 PolarHBondContact O-N 3.4Å; V572-S575 PolarHBondContact O-N 3.48Å; V572-S575 PolarHBondContact O-OG 2.84Å; V572-V576 HydrophobicContact CG1-CG2 4.48Å; V572-V576 PolarHBondContact O-N 3.14Å; V572-V576 VanDerWaalsContact O-N 3.16Å |
| 573 | V | 87.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 51 Ų | 51 | 16% | 0.158 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.7 | -36.2 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 112.1 | L516 M518 I526 L569 G571 S575 | L516-V573 HydrophobicContact CD2-CG2 4.1Å; M518-V573 HydrophobicContact CE-CG2 3.87Å; M518-V573 HydrophobicContact SD-CG2 4.38Å; I526-V573 HydrophobicContact CD1-CG2 3.63Å; L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 2.97Å; G571-V573 PolarHBondContact O-N 2.79Å; V573-S575 VanDerWaalsContact C-N 3.34Å |
| 574 | S | 85.9 | Confident | 87.2 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -74.6 | -21.3 | 176.2 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | Q570 G571 V572 | Q570-S574 WeakPolarHBondContact O-CB 3.48Å; Q570-S574 PolarHBondContact O-N 3.35Å; Q570-S574 PolarHBondContact O-OG 2.87Å; G571-S574 PolarHBondContact O-N 2.79Å; G571-S574 VanDerWaalsContact O-N 3.16Å; G571-S574 PolarHBondContact O-OG 2.69Å; V572-S574 PolarHBondContact O-N 3.4Å |
| 575 | S | 87.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 50.3 Ų | 50.3 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -88.1 | -25.7 | -178.8 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | G571 V572 V573 C577 | G571-S575 PolarHBondContact O-N 3.19Å; V572-S575 PolarHBondContact O-N 3.48Å; V572-S575 PolarHBondContact O-OG 2.84Å; V573-S575 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 2.86Å |
| 576 | V | 89.4 | Confident | 87.4 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | trans | -71 | 121.1 | -178 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | M522 Y525 V572 F823 | M522-V576 HydrophobicContact CE-CB 3.75Å; M522-V576 HydrophobicContact CE-CG1 3.75Å; M522-V576 HydrophobicContact SD-CB 3.49Å; M522-V576 WeakPolarHBondContact SD-CB 3.28Å; M522-V576 HydrophobicContact SD-CG1 3.48Å; M522-V576 WeakPolarHBondContact SD-CG1 3.37Å; M522-V576 HydrophobicContact SD-CG2 3.9Å; Y525-V576 HydrophobicContact CD1-CG1 4Å; Y525-V576 HydrophobicContact CD1-CG2 3.81Å; Y525-V576 HydrophobicContact CE1-CG1 4.16Å; Y525-V576 HydrophobicContact CE1-CG2 3.65Å; Y525-V576 HydrophobicContact CG-CG1 4.45Å; V572-V576 HydrophobicContact CG1-CG2 4.48Å; V572-V576 PolarHBondContact O-N 3.14Å; V572-V576 VanDerWaalsContact O-N 3.16Å; V576-F823 HydrophobicContact CG1-CB 4.15Å | ||
| 577 | C | 88.1 | Confident | 87.3 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 28% | 0.284 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.8 | 176.5 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | S575 A824 L830 | S575-C577 PolarHBondContact O-N 2.86Å; C577-A824 PolarHBondContact N-O 3.27Å; C577-A824 PolarHBondContact O-N 2.97Å; C577-L830 HydrophobicContact CB-CD1 3.54Å; C577-L830 HydrophobicContact CB-CG 4.46Å |
| 578 | T | 90 | Very high | 87.3 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.6 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | V822 F823 | T578-V822 WeakPolarHBondContact CA-O 3.37Å; T578-F823 HydrophobicContact CG2-CD1 3.82Å; T578-F823 HydrophobicContact CG2-CE1 3.56Å; T578-F823 HydrophobicContact CG2-CZ 4.09Å; T578-F823 VanDerWaalsContact OG1-CD1 3.3Å; T578-F823 WeakPolarHBondContact OG1-CD1 3.14Å |
| 579 | R | 88.4 | Confident | 87.1 | Confident | 85 Ų | 85 | 41.4 Ų | 41.4 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.2 | 172.6 | -171.4 | 166 | 77.4 | 124.2 | 6.6 | 112.3 | V822 L830 D834 | R579-V822 PolarHBondContact N-O 2.94Å; R579-V822 PolarHBondContact O-N 2.95Å; R579-L830 HydrophobicContact CB-CB 4.35Å; R579-L830 HydrophobicContact CB-CD1 3.83Å; R579-L830 HydrophobicContact CB-CG 4.49Å; R579-L830 PolarHBondContact NH2-O 2.86Å; R579-D834 IonicContact CZ-OD2 2.88Å; R579-D834 IonicContact NH1-OD2 2.69Å; R579-D834 PolarHBondContact NH1-OD2 3.03Å; R579-D834 IonicContact NH2-OD2 3.3Å; R579-D834 PolarHBondContact NH2-OD2 3.02Å |
| 580 | I | 89.9 | Confident | 86.9 | Confident | 86 Ų | 86 | 44.7 Ų | 44.7 | 44% | 0.441 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.2 | 170.3 | -47.9 | -178.4 | 0 | 0 | 0 | 108.3 | Q819 L820 H821 | I580-Q819 HydrophobicContact CG2-CB 4.1Å; I580-Q819 HydrophobicContact CG2-CG 4.29Å; I580-L820 CarbonylContact C-O 3.56Å; I580-L820 WeakPolarHBondContact CA-O 3.34Å; I580-H821 WeakPolarHBondContact CD1-NE2 3.2Å |
| 581 | I | 88.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 113.3 | 174 | -61.2 | 158.1 | 0 | 0 | 0 | 107.6 | V583 L820 V822 V833 D834 | I581-V583 HydrophobicContact CG2-CG2 4.23Å; I581-L820 HydrophobicContact CB-CB 4.27Å; I581-L820 PolarHBondContact N-O 3.48Å; I581-L820 PolarHBondContact O-N 3.3Å; I581-V822 HydrophobicContact CD1-CB 4.29Å; I581-V822 HydrophobicContact CD1-CG2 3.75Å; I581-V833 HydrophobicContact CD1-CG1 4.23Å; I581-D834 HydrophobicContact CD1-CB 3.72Å; I581-D834 HydrophobicContact CG1-CB 4Å; I581-D834 HydrophobicContact CG2-CB 4.02Å |
| 582 | T | 87.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 38.8 Ų | 38.8 | 47% | 0.466 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.7 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | T817 L818 Q819 | T582-T817 HydrophobicContact CG2-CG2 3.79Å; T582-L818 CarbonylContact C-O 3.55Å; T582-L818 WeakPolarHBondContact CA-O 3.45Å; T582-Q819 HydrophobicContact CG2-CG 4.46Å |
| 583 | V | 86.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 109.8 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | I581 V585 V588 T817 L818 F837 | I581-V583 HydrophobicContact CG2-CG2 4.23Å; V583-V585 HydrophobicContact CG1-CB 4.31Å; V583-V585 HydrophobicContact CG1-CG2 3.76Å; V583-V588 HydrophobicContact CG1-CG2 4.16Å; V583-T817 WeakPolarHBondContact O-CA 3.5Å; V583-L818 HydrophobicContact CB-CB 4.42Å; V583-L818 PolarHBondContact N-O 3.23Å; V583-L818 PolarHBondContact O-N 3.38Å; V583-F837 HydrophobicContact CB-CE1 4.43Å; V583-F837 HydrophobicContact CG1-CE1 4.26Å; V583-F837 HydrophobicContact CG2-CD1 3.79Å; V583-F837 HydrophobicContact CG2-CE1 3.89Å |
| 584 | N | 88.1 | Confident | 86.2 | Confident | 122 Ų | 122 | 43.5 Ų | 43.5 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 93.4 | 178 | -177.3 | 9.2 | 0 | 0 | 0 | 109.7 | N816 | N584-N816 CarbonylContact C-O 3.45Å; N584-N816 VanDerWaalsContact CA-O 3.26Å; N584-N816 WeakPolarHBondContact CA-O 3.23Å |
| 585 | V | 86.9 | Confident | 86.2 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | trans | -144.2 | 134.6 | -173.6 | 176 | 0 | 0 | 0 | 0 | 109.9 | V583 G587 V588 N816 V841 Q845 | V583-V585 HydrophobicContact CG1-CB 4.31Å; V583-V585 HydrophobicContact CG1-CG2 3.76Å; V585-G587 PolarHBondContact O-N 2.63Å; V585-G587 VanDerWaalsContact O-N 3.15Å; V585-V588 HydrophobicContact CB-CB 4.33Å; V585-V588 WeakPolarHBondContact O-CB 3.32Å; V585-V588 WeakPolarHBondContact O-CG1 3.5Å; V585-V588 PolarHBondContact O-N 3.21Å; V585-V588 VanDerWaalsContact O-N 3.15Å; V585-N816 PolarHBondContact N-O 3.36Å; V585-N816 WeakPolarHBondContact O-CA 3.48Å; V585-V841 HydrophobicContact CB-CG1 4.19Å; V585-V841 HydrophobicContact CG1-CG1 3.85Å; V585-V841 HydrophobicContact CG2-CG1 4.12Å; V585-Q845 HydrophobicContact CG1-CG 3.53Å; V585-Q845 VanDerWaalsContact CG1-NE2 3.33Å | ||
| 586 | P | 84.9 | Confident | 86.1 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 119.5 | -178.9 | -28.4 | 36 | 0 | 0 | 0 | 114 | N816 Q845 D876 F889 | P586-N816 WeakPolarHBondContact CA-OD1 3.2Å; P586-Q845 PolarHBondContact O-NE2 2.83Å; P586-D876 HydrophobicContact CB-CB 4.25Å; P586-D876 HydrophobicContact CG-CB 3.95Å; P586-F889 WeakPolarHBondContact O-CE2 3.4Å |
| 587 | G | 82.8 | Confident | 86 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 10.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | V585 C589 R590 F591 N816 A874 | V585-G587 PolarHBondContact O-N 2.63Å; V585-G587 VanDerWaalsContact O-N 3.15Å; G587-C589 VanDerWaalsContact C-N 3.26Å; G587-C589 PolarHBondContact O-N 3.11Å; G587-R590 WeakPolarHBondContact O-CB 3.11Å; G587-R590 PolarHBondContact O-N 2.96Å; G587-F591 PolarHBondContact O-N 3.24Å; G587-F591 VanDerWaalsContact O-N 3.14Å; G587-N816 PolarHBondContact N-OD1 2.83Å; G587-A874 WeakPolarHBondContact CA-O 3.48Å; G587-A874 PolarHBondContact N-O 2.81Å |
| 588 | V | 85.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.9 | -36.1 | -176.5 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | V583 V585 R590 F591 L592 N816 L818 | V583-V588 HydrophobicContact CG1-CG2 4.16Å; V585-V588 HydrophobicContact CB-CB 4.33Å; V585-V588 WeakPolarHBondContact O-CB 3.32Å; V585-V588 WeakPolarHBondContact O-CG1 3.5Å; V585-V588 PolarHBondContact O-N 3.21Å; V585-V588 VanDerWaalsContact O-N 3.15Å; V588-R590 VanDerWaalsContact C-N 3.31Å; V588-R590 PolarHBondContact O-N 3.12Å; V588-F591 PolarHBondContact O-N 2.93Å; V588-L592 PolarHBondContact O-N 3.49Å; V588-N816 VanDerWaalsContact CG1-O 3.3Å; V588-N816 WeakPolarHBondContact CG1-O 3.24Å; V588-L818 HydrophobicContact CG1-CB 3.8Å; V588-L818 HydrophobicContact CG2-CB 4.04Å; V588-L818 HydrophobicContact CG2-CD2 3.74Å |
| 589 | C | 83.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.3 | -23.7 | 178.9 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | G587 A814 A815 T817 | G587-C589 VanDerWaalsContact C-N 3.26Å; G587-C589 PolarHBondContact O-N 3.11Å; C589-A814 PolarHBondContact SG-O 3.02Å; C589-A815 WeakPolarHBondContact CB-O 3.19Å; C589-A815 PolarHBondContact N-O 3.26Å; C589-T817 PolarHBondContact SG-O 3.44Å; C589-T817 VanDerWaalsContact SG-O 3.39Å |
| 590 | R | 83.8 | Confident | 85.8 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.9 | -34.6 | 171 | -176.4 | -177.5 | 168.9 | -171.7 | -2.3 | 111.5 | G587 V588 L592 D593 W619 H873 A874 Y892 | G587-R590 WeakPolarHBondContact O-CB 3.11Å; G587-R590 PolarHBondContact O-N 2.96Å; V588-R590 VanDerWaalsContact C-N 3.31Å; V588-R590 PolarHBondContact O-N 3.12Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.08Å; R590-D593 PolarHBondContact O-N 2.81Å; R590-W619 HydrophobicContact CB-CB 4.13Å; R590-W619 HydrophobicContact CB-CD2 4.32Å; R590-W619 HydrophobicContact CB-CG 3.81Å; R590-W619 HydrophobicContact CG-CG 4.15Å; R590-H873 PolarHBondContact NH1-O 2.87Å; R590-A874 HydrophobicContact CB-CB 3.89Å; R590-A874 HydrophobicContact CG-CB 4.48Å; R590-Y892 HydrophobicContact CB-CE2 3.94Å; R590-Y892 HydrophobicContact CG-CE1 4.48Å; R590-Y892 HydrophobicContact CG-CE2 3.82Å; R590-Y892 VanDerWaalsContact CZ-CD1 3.42Å |
| 591 | F | 85.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -27.9 | 178.5 | -178.9 | -120.4 | 0 | 0 | 0 | 113 | G587 V588 D593 E594 E596 C597 I600 V841 F889 Y892 | G587-F591 PolarHBondContact O-N 3.24Å; G587-F591 VanDerWaalsContact O-N 3.14Å; V588-F591 PolarHBondContact O-N 2.93Å; F591-D593 VanDerWaalsContact C-N 3.26Å; F591-D593 PolarHBondContact O-N 3.34Å; F591-E594 HydrophobicContact CD2-CB 4.4Å; F591-E594 WeakPolarHBondContact O-CB 3.44Å; F591-E594 PolarHBondContact O-N 3.36Å; F591-E596 HydrophobicContact CE2-CB 4.32Å; F591-E596 HydrophobicContact CZ-CB 4.44Å; F591-C597 HydrophobicContact CD1-CB 3.58Å; F591-C597 VanDerWaalsContact CD1-SG 3.53Å; F591-C597 HydrophobicContact CD2-CB 4.34Å; F591-C597 HydrophobicContact CE1-CB 3.49Å; F591-C597 VanDerWaalsContact CE1-CB 3.49Å; F591-C597 HydrophobicContact CE2-CB 4.26Å; F591-C597 HydrophobicContact CG-CB 4.01Å; F591-C597 HydrophobicContact CZ-CB 3.85Å; F591-C597 WeakPolarHBondContact O-CB 3.12Å; F591-I600 HydrophobicContact CE1-CD1 4.3Å; F591-I600 HydrophobicContact CZ-CD1 4.02Å; F591-V841 HydrophobicContact CE1-CG2 4.49Å; F591-F889 HydrophobicContact CB-CD1 4.49Å; F591-F889 HydrophobicContact CB-CD2 4.2Å; F591-F889 HydrophobicContact CB-CE1 4Å; F591-F889 HydrophobicContact CB-CE2 3.69Å; F591-F889 HydrophobicContact CB-CZ 3.56Å; F591-F889 AromaticContact CD1-CE1 3.59Å; F591-F889 HydrophobicContact CD1-CE1 3.59Å; F591-F889 AromaticContact CD1-CZ 3.56Å; F591-F889 HydrophobicContact CD1-CZ 3.56Å; F591-F889 AromaticContact CD2-CD1 3.9Å; F591-F889 HydrophobicContact CD2-CD1 3.9Å; F591-F889 AromaticContact CD2-CE1 3.69Å; F591-F889 HydrophobicContact CD2-CE1 3.69Å; F591-F889 HydrophobicContact CD2-CZ 4.17Å; F591-F889 AromaticContact CE1-CE1 3.91Å; F591-F889 HydrophobicContact CE1-CE1 3.91Å; F591-F889 HydrophobicContact CE1-CZ 4.28Å; F591-F889 HydrophobicContact CE2-CD1 4.24Å; F591-F889 HydrophobicContact CE2-CE1 4.01Å; F591-F889 HydrophobicContact CG-CD1 4.09Å; F591-F889 AromaticContact CG-CE1 3.48Å; F591-F889 HydrophobicContact CG-CE1 3.48Å; F591-F889 VanDerWaalsContact CG-CE1 3.48Å; F591-F889 HydrophobicContact CG-CE2 4.13Å; F591-F889 AromaticContact CG-CZ 3.5Å; F591-F889 HydrophobicContact CG-CZ 3.5Å; F591-F889 HydrophobicContact CZ-CE1 4.12Å; F591-Y892 WeakPolarHBondContact CA-OH 3.3Å; F591-Y892 PolarHBondContact N-OH 2.9Å |
| 592 | L | 84.1 | Confident | 85.7 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -36.8 | 174.6 | -72 | 166.2 | 0 | 0 | 0 | 113.8 | V588 R590 E594 R598 L601 L614 Y616 L818 | V588-L592 PolarHBondContact O-N 3.49Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.08Å; L592-E594 PolarHBondContact O-N 2.87Å; L592-R598 PolarHBondContact O-NE 3.25Å; L592-L601 HydrophobicContact CD2-CD1 4.31Å; L592-L614 HydrophobicContact CD2-CD1 4.17Å; L592-L614 HydrophobicContact CD2-CD2 4.37Å; L592-Y616 HydrophobicContact CB-CE2 4.42Å; L592-Y616 HydrophobicContact CD1-CD1 3.99Å; L592-Y616 HydrophobicContact CD1-CD2 3.46Å; L592-Y616 VanDerWaalsContact CD1-CD2 3.46Å; L592-Y616 HydrophobicContact CD1-CE1 4.19Å; L592-Y616 HydrophobicContact CD1-CE2 3.68Å; L592-Y616 HydrophobicContact CD1-CG 3.62Å; L592-L818 HydrophobicContact CD1-CD1 3.71Å; L592-L818 HydrophobicContact CD1-CD2 4.12Å; L592-L818 HydrophobicContact CD1-CG 4.44Å; L592-L818 HydrophobicContact CD2-CD1 4.31Å; L592-L818 HydrophobicContact CD2-CD2 3.79Å; L592-L818 HydrophobicContact CG-CD2 4.16Å |
| 593 | D | 79.3 | Confident | 85.8 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.8 | 179.1 | -75.2 | -49.4 | 0 | 0 | 0 | 112.3 | R590 F591 R598 | R590-D593 PolarHBondContact O-N 2.81Å; F591-D593 VanDerWaalsContact C-N 3.26Å; F591-D593 PolarHBondContact O-N 3.34Å; D593-R598 PolarHBondContact O-NE 2.94Å; D593-R598 PolarHBondContact O-NH2 3Å; D593-R598 IonicContact OD1-NH2 2.7Å |
| 594 | E | 84.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -76.5 | 147 | 179.7 | -58.2 | -170.3 | 176.2 | 0 | 0 | 112.7 | F591 L592 E596 C597 R598 Y892 | F591-E594 HydrophobicContact CD2-CB 4.4Å; F591-E594 WeakPolarHBondContact O-CB 3.44Å; F591-E594 PolarHBondContact O-N 3.36Å; L592-E594 PolarHBondContact O-N 2.87Å; E594-E596 PolarHBondContact O-N 2.9Å; E594-C597 PolarHBondContact O-N 3.16Å; E594-R598 PolarHBondContact O-N 3.3Å; E594-Y892 WeakPolarHBondContact OE1-CE1 3.46Å; E594-Y892 VanDerWaalsContact OE1-CZ 3.3Å; E594-Y892 PolarHBondContact OE1-OH 3.45Å |
| 595 | K | 84.9 | Confident | 86 | Confident | 191 Ų | 191 | 48 Ų | 48 | 83% | 0.83 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.4 | -28.2 | 179.7 | -65.2 | -178.6 | 179.4 | 179.5 | 0 | 112.6 | S599 | K595-S599 WeakPolarHBondContact O-CB 3.43Å; K595-S599 PolarHBondContact O-N 3.37Å; K595-S599 VanDerWaalsContact O-N 3.07Å |
| 596 | E | 85.7 | Confident | 86 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 179.6 | -165.2 | -178 | -157.3 | 0 | 0 | 111.6 | F591 E594 R598 S599 I600 R844 | F591-E596 HydrophobicContact CE2-CB 4.32Å; F591-E596 HydrophobicContact CZ-CB 4.44Å; E594-E596 PolarHBondContact O-N 2.9Å; E596-R598 VanDerWaalsContact C-N 3.35Å; E596-R598 PolarHBondContact O-N 2.86Å; E596-S599 WeakPolarHBondContact O-CB 3.45Å; E596-S599 PolarHBondContact O-N 2.9Å; E596-S599 VanDerWaalsContact O-N 3.1Å; E596-I600 HydrophobicContact CG-CD1 4.1Å; E596-I600 WeakPolarHBondContact O-CG1 3.4Å; E596-I600 PolarHBondContact O-N 3.35Å; E596-R844 IonicContact OE1-CZ 2.87Å; E596-R844 VanDerWaalsContact OE1-CZ 3.27Å; E596-R844 IonicContact OE1-NE 3.09Å; E596-R844 PolarHBondContact OE1-NE 2.96Å; E596-R844 IonicContact OE1-NH2 3.43Å; E596-R844 PolarHBondContact OE1-NH2 2.86Å; E596-R844 IonicContact OE2-CZ 2.84Å; E596-R844 IonicContact OE2-NE 3.68Å; E596-R844 PolarHBondContact OE2-NE 2.93Å |
| 597 | C | 86.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 178.4 | -167.6 | 0 | 0 | 0 | 0 | 112 | F591 E594 S599 I600 L601 | F591-C597 HydrophobicContact CD1-CB 3.58Å; F591-C597 VanDerWaalsContact CD1-SG 3.53Å; F591-C597 HydrophobicContact CD2-CB 4.34Å; F591-C597 HydrophobicContact CE1-CB 3.49Å; F591-C597 VanDerWaalsContact CE1-CB 3.49Å; F591-C597 HydrophobicContact CE2-CB 4.26Å; F591-C597 HydrophobicContact CG-CB 4.01Å; F591-C597 HydrophobicContact CZ-CB 3.85Å; F591-C597 WeakPolarHBondContact O-CB 3.12Å; E594-C597 PolarHBondContact O-N 3.16Å; C597-S599 VanDerWaalsContact C-N 3.29Å; C597-S599 PolarHBondContact O-N 2.86Å; C597-I600 WeakPolarHBondContact O-CB 3.44Å; C597-I600 PolarHBondContact O-N 3.36Å; C597-I600 VanDerWaalsContact O-N 3.08Å; C597-L601 WeakPolarHBondContact O-CG 3.35Å; C597-L601 PolarHBondContact O-N 2.76Å |
| 598 | R | 85.9 | Confident | 86.4 | Confident | 144 Ų | 144 | 59.2 Ų | 59.2 | 54% | 0.543 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 174.7 | -56 | -178.5 | -151.5 | -149.2 | 5.9 | 112.3 | L592 D593 E594 E596 N602 | L592-R598 PolarHBondContact O-NE 3.25Å; D593-R598 PolarHBondContact O-NE 2.94Å; D593-R598 PolarHBondContact O-NH2 3Å; D593-R598 IonicContact OD1-NH2 2.7Å; E594-R598 PolarHBondContact O-N 3.3Å; E596-R598 VanDerWaalsContact C-N 3.35Å; E596-R598 PolarHBondContact O-N 2.86Å; R598-N602 WeakPolarHBondContact O-CB 3.48Å; R598-N602 PolarHBondContact O-N 3.4Å; R598-N602 VanDerWaalsContact O-N 3.1Å |
| 599 | S | 88.6 | Confident | 86.4 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 53% | 0.531 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 173.3 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | K595 E596 C597 E603 | K595-S599 WeakPolarHBondContact O-CB 3.43Å; K595-S599 PolarHBondContact O-N 3.37Å; K595-S599 VanDerWaalsContact O-N 3.07Å; E596-S599 WeakPolarHBondContact O-CB 3.45Å; E596-S599 PolarHBondContact O-N 2.9Å; E596-S599 VanDerWaalsContact O-N 3.1Å; C597-S599 VanDerWaalsContact C-N 3.29Å; C597-S599 PolarHBondContact O-N 2.86Å; S599-E603 WeakPolarHBondContact O-CB 3.45Å; S599-E603 PolarHBondContact O-N 2.82Å |
| 600 | I | 88.5 | Confident | 86.8 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -42 | 177.2 | -72.3 | 167.2 | 0 | 0 | 0 | 111.3 | F591 E596 C597 M604 F837 K840 | F591-I600 HydrophobicContact CE1-CD1 4.3Å; F591-I600 HydrophobicContact CZ-CD1 4.02Å; E596-I600 HydrophobicContact CG-CD1 4.1Å; E596-I600 WeakPolarHBondContact O-CG1 3.4Å; E596-I600 PolarHBondContact O-N 3.35Å; C597-I600 WeakPolarHBondContact O-CB 3.44Å; C597-I600 PolarHBondContact O-N 3.36Å; C597-I600 VanDerWaalsContact O-N 3.08Å; I600-M604 HydrophobicContact CG2-CE 3.45Å; I600-M604 VanDerWaalsContact CG2-CE 3.45Å; I600-M604 HydrophobicContact CG2-SD 4.35Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 3.44Å; I600-F837 HydrophobicContact CG2-CD2 4.17Å; I600-F837 HydrophobicContact CG2-CE2 4.35Å; I600-K840 HydrophobicContact CG1-CD 4.24Å; I600-K840 HydrophobicContact CG2-CB 4.34Å; I600-K840 HydrophobicContact CG2-CD 3.75Å |
| 601 | L | 89.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 176.3 | -70.6 | 167.9 | 0 | 0 | 0 | 111.4 | L592 C597 E603 M604 E605 I612 L614 L820 F837 | L592-L601 HydrophobicContact CD2-CD1 4.31Å; C597-L601 WeakPolarHBondContact O-CG 3.35Å; C597-L601 PolarHBondContact O-N 2.76Å; L601-E603 VanDerWaalsContact C-N 3.31Å; L601-E603 PolarHBondContact O-N 3.34Å; L601-M604 WeakPolarHBondContact O-CA 3.31Å; L601-M604 WeakPolarHBondContact O-CB 3.38Å; L601-M604 PolarHBondContact O-N 3.05Å; L601-E605 PolarHBondContact O-N 3.36Å; L601-I612 HydrophobicContact CD2-CD1 4.02Å; L601-I612 HydrophobicContact CD2-CG2 4.09Å; L601-L614 HydrophobicContact CD1-CD1 4.24Å; L601-L614 HydrophobicContact CD1-CD2 4.05Å; L601-L820 HydrophobicContact CD2-CD2 4.34Å; L601-F837 HydrophobicContact CD2-CD2 3.98Å; L601-F837 HydrophobicContact CD2-CE2 3.57Å; L601-F837 HydrophobicContact CD2-CZ 4.44Å; L601-F837 HydrophobicContact CG-CE2 4.1Å |
| 602 | N | 87.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 177.5 | -172.5 | -2.8 | 0 | 0 | 0 | 112.1 | R598 M604 E605 T606 | R598-N602 WeakPolarHBondContact O-CB 3.48Å; R598-N602 PolarHBondContact O-N 3.4Å; R598-N602 VanDerWaalsContact O-N 3.1Å; N602-M604 PolarHBondContact O-N 3.04Å; N602-E605 PolarHBondContact O-N 3.49Å; N602-T606 WeakPolarHBondContact O-CB 3.44Å; N602-T606 WeakPolarHBondContact O-CG2 3.46Å; N602-T606 PolarHBondContact O-N 2.69Å; N602-T606 PolarHBondContact O-OG1 2.87Å; N602-T606 WeakPolarHBondContact OD1-CG2 3.47Å |
| 603 | E | 89.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -28.7 | 172.1 | -162.3 | -154.7 | 122.7 | 0 | 0 | 112.3 | S599 L601 T606 K607 K840 | S599-E603 WeakPolarHBondContact O-CB 3.45Å; S599-E603 PolarHBondContact O-N 2.82Å; L601-E603 VanDerWaalsContact C-N 3.31Å; L601-E603 PolarHBondContact O-N 3.34Å; E603-T606 PolarHBondContact O-OG1 3.4Å; E603-K607 WeakPolarHBondContact O-CB 3.43Å; E603-K607 PolarHBondContact O-N 2.87Å; E603-K607 VanDerWaalsContact O-N 3.1Å; E603-K840 IonicContact OE1-NZ 3.27Å; E603-K840 PolarHBondContact OE1-NZ 3.15Å; E603-K840 IonicContact OE2-NZ 3.79Å; E603-K840 PolarHBondContact OE2-NZ 3.15Å |
| 604 | M | 88.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -81.2 | -44 | 176.6 | -69.3 | 168.9 | -167.1 | 0 | 0 | 112.3 | I600 L601 N602 T606 K607 F608 I612 V833 A836 F837 K840 | I600-M604 HydrophobicContact CG2-CE 3.45Å; I600-M604 VanDerWaalsContact CG2-CE 3.45Å; I600-M604 HydrophobicContact CG2-SD 4.35Å; I600-M604 WeakPolarHBondContact O-CG 3.48Å; I600-M604 PolarHBondContact O-N 3.44Å; L601-M604 WeakPolarHBondContact O-CA 3.31Å; L601-M604 WeakPolarHBondContact O-CB 3.38Å; L601-M604 PolarHBondContact O-N 3.05Å; N602-M604 PolarHBondContact O-N 3.04Å; M604-T606 VanDerWaalsContact C-N 3.33Å; M604-T606 PolarHBondContact O-N 3.37Å; M604-K607 PolarHBondContact O-N 3.29Å; M604-F608 HydrophobicContact CB-CD2 4.12Å; M604-F608 HydrophobicContact CB-CE2 4.47Å; M604-F608 HydrophobicContact CG-CD2 4.36Å; M604-F608 HydrophobicContact CG-CE2 4.21Å; M604-F608 WeakPolarHBondContact O-CB 3.13Å; M604-F608 WeakPolarHBondContact O-CD2 3.39Å; M604-F608 PolarHBondContact O-N 3.3Å; M604-I612 HydrophobicContact CB-CD1 4.11Å; M604-V833 HydrophobicContact SD-CG1 4.5Å; M604-A836 HydrophobicContact CE-CB 4.04Å; M604-F837 HydrophobicContact CE-CB 3.96Å; M604-F837 HydrophobicContact CE-CD2 4.08Å; M604-F837 HydrophobicContact CE-CG 4.5Å; M604-F837 HydrophobicContact SD-CB 3.79Å; M604-F837 HydrophobicContact SD-CD2 3.82Å; M604-F837 HydrophobicContact SD-CG 4.31Å; M604-K840 HydrophobicContact CE-CD 3.75Å |
| 605 | E | 89.5 | Confident | 87.3 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.7 | -68.1 | -178.1 | 124.1 | 0 | 0 | 111.3 | L601 N602 Q609 V610 I612 | L601-E605 PolarHBondContact O-N 3.36Å; N602-E605 PolarHBondContact O-N 3.49Å; E605-Q609 VanDerWaalsContact O-CA 3.29Å; E605-Q609 WeakPolarHBondContact O-CA 3.26Å; E605-Q609 PolarHBondContact O-N 3.49Å; E605-V610 WeakPolarHBondContact CB-O 3.32Å; E605-V610 HydrophobicContact CG-CG2 4.3Å; E605-V610 PolarHBondContact O-N 2.69Å; E605-I612 HydrophobicContact CG-CB 4.24Å; E605-I612 HydrophobicContact CG-CD1 3.89Å; E605-I612 HydrophobicContact CG-CG1 3.79Å; E605-I612 PolarHBondContact OE1-N 2.91Å |
| 606 | T | 87.1 | Confident | 87 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 59% | 0.589 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -72.3 | -37.1 | 178 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | N602 E603 M604 | N602-T606 WeakPolarHBondContact O-CB 3.44Å; N602-T606 WeakPolarHBondContact O-CG2 3.46Å; N602-T606 PolarHBondContact O-N 2.69Å; N602-T606 PolarHBondContact O-OG1 2.87Å; N602-T606 WeakPolarHBondContact OD1-CG2 3.47Å; E603-T606 PolarHBondContact O-OG1 3.4Å; M604-T606 VanDerWaalsContact C-N 3.33Å; M604-T606 PolarHBondContact O-N 3.37Å |
| 607 | K | 88.1 | Confident | 86.3 | Confident | 141 Ų | 141 | 61.3 Ų | 61.3 | 61% | 0.613 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.2 | -36.3 | -178.1 | -178.7 | 176.9 | 177.4 | 179.5 | 0 | 113.9 | E603 M604 | E603-K607 WeakPolarHBondContact O-CB 3.43Å; E603-K607 PolarHBondContact O-N 2.87Å; E603-K607 VanDerWaalsContact O-N 3.1Å; M604-K607 PolarHBondContact O-N 3.29Å |
| 608 | F | 87.5 | Confident | 85.5 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -107.8 | 3.6 | -174.5 | -58.4 | -63.8 | 0 | 0 | 0 | 113.3 | M604 V610 D829 R832 V833 A836 | M604-F608 HydrophobicContact CB-CD2 4.12Å; M604-F608 HydrophobicContact CB-CE2 4.47Å; M604-F608 HydrophobicContact CG-CD2 4.36Å; M604-F608 HydrophobicContact CG-CE2 4.21Å; M604-F608 WeakPolarHBondContact O-CB 3.13Å; M604-F608 WeakPolarHBondContact O-CD2 3.39Å; M604-F608 PolarHBondContact O-N 3.3Å; F608-V610 VanDerWaalsContact C-N 3.27Å; F608-V610 HydrophobicContact CB-CG1 3.94Å; F608-V610 HydrophobicContact CB-CG2 4.45Å; F608-V610 WeakPolarHBondContact O-CG1 3.33Å; F608-V610 PolarHBondContact O-N 3.15Å; F608-D829 HydrophobicContact CB-CB 4.42Å; F608-R832 HydrophobicContact CD1-CB 4.02Å; F608-R832 HydrophobicContact CE1-CB 3.67Å; F608-R832 HydrophobicContact CE1-CG 4.3Å; F608-R832 HydrophobicContact CZ-CB 3.96Å; F608-V833 HydrophobicContact CB-CG2 4.06Å; F608-V833 HydrophobicContact CD2-CG2 3.63Å; F608-V833 HydrophobicContact CE2-CG2 4.37Å; F608-V833 HydrophobicContact CG-CG2 4.08Å; F608-A836 HydrophobicContact CE2-CB 4.05Å; F608-A836 HydrophobicContact CZ-CB 4.26Å |
| 609 | Q | 87.1 | Confident | 85 | Confident | 137 Ų | 137 | 59.4 Ų | 59.4 | 64% | 0.64 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 46.3 | -177.1 | -62.3 | -176.6 | -10.7 | 0 | 0 | 112.4 | Y525 E605 | Y525-Q609 WeakPolarHBondContact CE2-O 3.43Å; E605-Q609 VanDerWaalsContact O-CA 3.29Å; E605-Q609 WeakPolarHBondContact O-CA 3.26Å; E605-Q609 PolarHBondContact O-N 3.49Å |
| 610 | V | 90.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | trans | -109.6 | 168.5 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | H529 E605 F608 I612 V822 F823 A824 D829 V833 | H529-V610 PolarHBondContact NE2-O 3.48Å; E605-V610 WeakPolarHBondContact CB-O 3.32Å; E605-V610 HydrophobicContact CG-CG2 4.3Å; E605-V610 PolarHBondContact O-N 2.69Å; F608-V610 VanDerWaalsContact C-N 3.27Å; F608-V610 HydrophobicContact CB-CG1 3.94Å; F608-V610 HydrophobicContact CB-CG2 4.45Å; F608-V610 WeakPolarHBondContact O-CG1 3.33Å; F608-V610 PolarHBondContact O-N 3.15Å; V610-I612 HydrophobicContact CG2-CD1 4.25Å; V610-I612 HydrophobicContact CG2-CG1 4.01Å; V610-V822 HydrophobicContact CB-CG1 3.95Å; V610-V822 HydrophobicContact CG1-CG1 4.3Å; V610-V822 HydrophobicContact CG2-CG1 4.14Å; V610-F823 WeakPolarHBondContact CA-O 3.29Å; V610-F823 WeakPolarHBondContact CB-O 3.39Å; V610-A824 HydrophobicContact CB-CB 4.5Å; V610-A824 HydrophobicContact CG1-CB 3.65Å; V610-D829 HydrophobicContact CG1-CB 4.27Å; V610-V833 HydrophobicContact CB-CG2 4.49Å; V610-V833 HydrophobicContact CG1-CG2 4Å; V610-V833 HydrophobicContact CG2-CG2 3.8Å | ||
| 611 | Y | 90.3 | Very high | 82.9 | Confident | 50 Ų | 50 | 67 Ų | 67 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.8 | 163.8 | 178.2 | -106.3 | 0 | 0 | 0 | 109.6 | G521 K524 I528 V822 F823 | G521-Y611 WeakPolarHBondContact O-CD1 3.43Å; K524-Y611 HydrophobicContact CB-CD1 3.94Å; K524-Y611 HydrophobicContact CB-CD2 4.25Å; K524-Y611 HydrophobicContact CB-CE1 3.52Å; K524-Y611 HydrophobicContact CB-CE2 3.85Å; K524-Y611 HydrophobicContact CB-CG 4.29Å; K524-Y611 VanDerWaalsContact CB-CZ 3.46Å; K524-Y611 HydrophobicContact CG-CE1 4.22Å; I528-Y611 HydrophobicContact CD1-CD2 3.77Å; I528-Y611 HydrophobicContact CD1-CE2 4.1Å; Y611-V822 WeakPolarHBondContact O-CA 3.05Å; Y611-F823 AromaticContact CD1-CD2 3.92Å; Y611-F823 HydrophobicContact CD1-CD2 3.92Å; Y611-F823 HydrophobicContact CD1-CE2 4.38Å; Y611-F823 PolarHBondContact N-O 3.45Å; Y611-F823 PolarHBondContact O-N 2.96Å |
| 612 | I | 90.1 | Very high | 81.8 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 101.6 | -175.8 | -55.8 | 175.9 | 0 | 0 | 0 | 110.3 | L601 M604 E605 V610 L614 L820 V822 V833 | L601-I612 HydrophobicContact CD2-CD1 4.02Å; L601-I612 HydrophobicContact CD2-CG2 4.09Å; M604-I612 HydrophobicContact CB-CD1 4.11Å; E605-I612 HydrophobicContact CG-CB 4.24Å; E605-I612 HydrophobicContact CG-CD1 3.89Å; E605-I612 HydrophobicContact CG-CG1 3.79Å; E605-I612 PolarHBondContact OE1-N 2.91Å; V610-I612 HydrophobicContact CG2-CD1 4.25Å; V610-I612 HydrophobicContact CG2-CG1 4.01Å; I612-L614 HydrophobicContact CG2-CD2 4.11Å; I612-L820 HydrophobicContact CG2-CB 4.11Å; I612-L820 HydrophobicContact CG2-CD2 3.97Å; I612-L820 HydrophobicContact CG2-CG 4.47Å; I612-V822 HydrophobicContact CG1-CG1 4.21Å; I612-V822 HydrophobicContact CG1-CG2 4.05Å; I612-V822 HydrophobicContact CG2-CG2 4.19Å; I612-V833 HydrophobicContact CD1-CG1 4.08Å |
| 613 | S | 85.4 | Confident | 80.1 | Confident | 28 Ų | 28 | 70.1 Ų | 70.1 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.1 | 168.9 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | H821 | S613-H821 PolarHBondContact N-O 3.31Å; S613-H821 PolarHBondContact O-N 3.48Å |
| 614 | L | 85.4 | Confident | 78.1 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.4 | -179.6 | -56.4 | 177.5 | 0 | 0 | 0 | 110.5 | L592 L601 I612 Y616 L820 | L592-L614 HydrophobicContact CD2-CD1 4.17Å; L592-L614 HydrophobicContact CD2-CD2 4.37Å; L601-L614 HydrophobicContact CD1-CD1 4.24Å; L601-L614 HydrophobicContact CD1-CD2 4.05Å; I612-L614 HydrophobicContact CG2-CD2 4.11Å; L614-Y616 HydrophobicContact CB-CD1 3.89Å; L614-Y616 HydrophobicContact CB-CE1 4.02Å; L614-Y616 HydrophobicContact CD1-CE1 4.3Å; L614-L820 HydrophobicContact CD2-CD2 3.34Å |
| 615 | K | 77.9 | Confident | 76.5 | Confident | 85 Ų | 85 | 80.2 Ų | 80.2 | 37% | 0.37 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 106.5 | 167.9 | -65.5 | -176.5 | -170.8 | 167.2 | 0 | 108.2 | E519 Q819 H821 | E519-K615 IonicContact OE1-NZ 3.18Å; E519-K615 PolarHBondContact OE1-NZ 3.33Å; K615-Q819 HydrophobicContact CB-CB 4.38Å; K615-Q819 PolarHBondContact N-O 3Å; K615-Q819 PolarHBondContact O-N 3.38Å; K615-H821 PolarHBondContact NZ-CD2 3.33Å; K615-H821 PolarHBondContact NZ-CE1 3.38Å; K615-H821 PolarHBondContact NZ-ND1 3.03Å; K615-H821 PolarHBondContact NZ-NE2 2.81Å |
| 616 | Y | 77.9 | Confident | 75.5 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | trans | -152.9 | 158.6 | -176.9 | 73.1 | -72.9 | 0 | 0 | 0 | 111.3 | L592 L614 P618 | L592-Y616 HydrophobicContact CB-CE2 4.42Å; L592-Y616 HydrophobicContact CD1-CD1 3.99Å; L592-Y616 HydrophobicContact CD1-CD2 3.46Å; L592-Y616 VanDerWaalsContact CD1-CD2 3.46Å; L592-Y616 HydrophobicContact CD1-CE1 4.19Å; L592-Y616 HydrophobicContact CD1-CE2 3.68Å; L592-Y616 HydrophobicContact CD1-CG 3.62Å; L614-Y616 HydrophobicContact CB-CD1 3.89Å; L614-Y616 HydrophobicContact CB-CE1 4.02Å; L614-Y616 HydrophobicContact CD1-CE1 4.3Å; Y616-P618 HydrophobicContact CE2-CG 4.48Å | ||
| 617 | V | 70.9 | Confident | 74.8 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | trans | -89.4 | 123.3 | 167.3 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | A814 | V617-A814 HydrophobicContact CB-CB 4.38Å; V617-A814 HydrophobicContact CG2-CB 4.3Å | ||
| 618 | P | 70.1 | Confident | 74 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | trans | -56 | 140.6 | 177.9 | -27.4 | 36 | 0 | 0 | 0 | 112.7 | Y616 E620 | Y616-P618 HydrophobicContact CE2-CG 4.48Å; P618-E620 PolarHBondContact O-N 2.91Å | ||
| 619 | W | 75.7 | Confident | 73.1 | Confident | 23 Ų | 23 | 74.8 Ų | 74.8 | 9% | 0.087 | 38% | 0.382 | C | S | . | . | trans | -78.4 | 93 | 177.9 | 174 | -98 | 0 | 0 | 0 | 110.8 | R590 P621 A815 R871 A874 | R590-W619 HydrophobicContact CB-CB 4.13Å; R590-W619 HydrophobicContact CB-CD2 4.32Å; R590-W619 HydrophobicContact CB-CG 3.81Å; R590-W619 HydrophobicContact CG-CG 4.15Å; W619-P621 WeakPolarHBondContact O-CD 3.44Å; W619-A815 HydrophobicContact CE3-CB 3.39Å; W619-A815 HydrophobicContact CH2-CB 4.48Å; W619-A815 HydrophobicContact CZ3-CB 3.26Å; W619-R871 VanDerWaalsContact CH2-NH1 3.34Å; W619-R871 WeakPolarHBondContact CH2-O 3.47Å; W619-R871 WeakPolarHBondContact CZ2-O 3.32Å; W619-A874 HydrophobicContact CD2-CB 4.13Å; W619-A874 HydrophobicContact CE3-CB 4.21Å; W619-A874 HydrophobicContact CH2-CB 3.53Å; W619-A874 HydrophobicContact CZ2-CB 3.53Å; W619-A874 HydrophobicContact CZ3-CB 3.94Å | ||
| 620 | E | 70.3 | Confident | 72.2 | Confident | 143 Ų | 143 | 69.4 Ų | 69.4 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 121.2 | 170.6 | -65.3 | -169.8 | 162.7 | 0 | 0 | 110.6 | P618 R871 | P618-E620 PolarHBondContact O-N 2.91Å; E620-R871 PolarHBondContact O-NH1 2.87Å; E620-R871 PolarHBondContact O-NH2 3.04Å |
| 621 | P | 62.4 | Low | 71.2 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 135.4 | 171.8 | 30 | -33.4 | 0 | 0 | 0 | 109.7 | W619 | W619-P621 WeakPolarHBondContact O-CD 3.44Š|
| 622 | L | 64.6 | Low | 70.2 | Confident | 73 Ų | 73 | 68 Ų | 68 | 38% | 0.382 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 126.3 | 174.5 | -69.1 | 172 | 0 | 0 | 0 | 109.5 | R871 | L622-R871 HydrophobicContact CD1-CB 4.43Å; L622-R871 HydrophobicContact CD1-CG 4.14Å; L622-R871 HydrophobicContact CG-CG 4.47Å |
| 623 | P | 53 | Low | 69 | Low | 96 Ų | 96 | 71.4 Ų | 71.4 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 144.2 | 178.5 | 26.5 | -34.7 | 0 | 0 | 0 | 109.6 | Q625 | P623-Q625 PolarHBondContact O-N 3.22Š|
| 624 | H | 47.5 | Very low | 68.1 | Low | 203 Ų | 203 | 72 Ų | 72 | 94% | 0.94 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -50.4 | 89.1 | -169.1 | -67.2 | -71.5 | 0 | 0 | 0 | 114.3 | ||
| 625 | Q | 54.2 | Low | 67 | Low | 98 Ų | 98 | 70 Ų | 70 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | trans | -117.1 | 151.4 | 167 | -66.5 | -173 | 27.1 | 0 | 0 | 108.3 | P623 I627 S630 | P623-Q625 PolarHBondContact O-N 3.22Å; Q625-I627 PolarHBondContact O-N 3.24Å; Q625-S630 VanDerWaalsContact CB-OG 3.3Å; Q625-S630 WeakPolarHBondContact CB-OG 3.18Å; Q625-S630 PolarHBondContact OE1-OG 2.82Å; Q625-S630 VanDerWaalsContact OE1-OG 3.12Å | ||
| 626 | D | 68.8 | Low | 66.1 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | trans | -65.2 | 132.2 | 171.6 | -172.6 | -18.2 | 0 | 0 | 0 | 109.2 | F628 E629 S630 | D626-F628 PolarHBondContact O-N 2.91Å; D626-F628 WeakPolarHBondContact OD1-CB 3.4Å; D626-F628 WeakPolarHBondContact OD1-CD2 3.44Å; D626-F628 PolarHBondContact OD1-N 2.91Å; D626-E629 HydrophobicContact CB-CB 3.93Å; D626-E629 PolarHBondContact O-N 3.01Å; D626-S630 PolarHBondContact O-N 3.37Å; D626-S630 PolarHBondContact O-OG 3.21Å | ||
| 627 | I | 72.6 | Confident | 65.1 | Low | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -51.7 | -41.7 | 174.7 | -67.3 | 162.6 | 0 | 0 | 0 | 110.1 | Q625 A631 C865 V868 I869 K872 D899 | Q625-I627 PolarHBondContact O-N 3.24Å; I627-A631 VanDerWaalsContact O-CB 3.26Å; I627-A631 WeakPolarHBondContact O-CB 3.27Å; I627-A631 PolarHBondContact O-N 2.64Å; I627-C865 HydrophobicContact CG2-CB 4.33Å; I627-V868 HydrophobicContact CB-CG1 4.31Å; I627-V868 HydrophobicContact CG1-CG1 4.29Å; I627-V868 HydrophobicContact CG2-CB 4.23Å; I627-V868 HydrophobicContact CG2-CG1 3.96Å; I627-I869 HydrophobicContact CD1-CG1 3.96Å; I627-I869 HydrophobicContact CG2-CD1 4.44Å; I627-I869 HydrophobicContact CG2-CG1 4.04Å; I627-K872 HydrophobicContact CD1-CD 3.77Å; I627-K872 HydrophobicContact CG1-CD 3.89Å; I627-D899 HydrophobicContact CD1-CB 3.71Å; I627-D899 WeakPolarHBondContact CD1-OD2 3.37Å |
| 628 | F | 71.1 | Confident | 64.5 | Low | 22 Ų | 22 | 67.1 Ų | 67.1 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -35.9 | -179.9 | -61.1 | -58.6 | 0 | 0 | 0 | 111.8 | D626 W632 Y861 L902 L903 N906 M949 | D626-F628 PolarHBondContact O-N 2.91Å; D626-F628 WeakPolarHBondContact OD1-CB 3.4Å; D626-F628 WeakPolarHBondContact OD1-CD2 3.44Å; D626-F628 PolarHBondContact OD1-N 2.91Å; F628-W632 VanDerWaalsContact O-CB 3.29Å; F628-W632 WeakPolarHBondContact O-CB 3.35Å; F628-W632 PolarHBondContact O-N 3.39Å; F628-W632 VanDerWaalsContact O-N 3.14Å; F628-Y861 WeakPolarHBondContact CA-OH 3.47Å; F628-Y861 VanDerWaalsContact CB-OH 3.24Å; F628-Y861 WeakPolarHBondContact CB-OH 3.24Å; F628-Y861 WeakPolarHBondContact CD1-OH 3.42Å; F628-Y861 PolarHBondContact O-OH 3.31Å; F628-L902 HydrophobicContact CE2-CD2 3.96Å; F628-L902 HydrophobicContact CE2-CG 4.07Å; F628-L902 HydrophobicContact CZ-CD2 4.43Å; F628-L902 HydrophobicContact CZ-CG 4.16Å; F628-L903 HydrophobicContact CE1-CB 4.47Å; F628-L903 HydrophobicContact CE1-CD1 3.88Å; F628-N906 WeakPolarHBondContact CD1-ND2 3.45Å; F628-N906 HydrophobicContact CE1-CB 4.26Å; F628-N906 WeakPolarHBondContact CE1-ND2 3.48Å; F628-N906 HydrophobicContact CZ-CB 4.16Å; F628-N906 WeakPolarHBondContact CZ-ND2 3.21Å; F628-M949 HydrophobicContact CB-CE 4.14Å |
| 629 | E | 68.3 | Low | 64.3 | Low | 79 Ų | 79 | 66.7 Ų | 66.7 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -74.9 | -43.4 | 176 | -164.3 | -161.8 | 158.2 | 0 | 0 | 111.9 | D626 W632 K633 | D626-E629 HydrophobicContact CB-CB 3.93Å; D626-E629 PolarHBondContact O-N 3.01Å; E629-W632 PolarHBondContact O-N 3.38Å; E629-K633 WeakPolarHBondContact O-CG 3.3Å; E629-K633 PolarHBondContact O-N 3.41Å; E629-K633 WeakPolarHBondContact OE1-CE 3.44Å; E629-K633 IonicContact OE1-NZ 2.92Å; E629-K633 PolarHBondContact OE1-NZ 2.95Å; E629-K633 IonicContact OE2-NZ 3.45Å |
| 630 | S | 69.1 | Low | 64.2 | Low | 24 Ų | 24 | 66.8 Ų | 66.8 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.7 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | Q625 D626 W632 K633 M634 | Q625-S630 VanDerWaalsContact CB-OG 3.3Å; Q625-S630 WeakPolarHBondContact CB-OG 3.18Å; Q625-S630 PolarHBondContact OE1-OG 2.82Å; Q625-S630 VanDerWaalsContact OE1-OG 3.12Å; D626-S630 PolarHBondContact O-N 3.37Å; D626-S630 PolarHBondContact O-OG 3.21Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.25Å; S630-K633 PolarHBondContact O-N 3.34Å; S630-M634 WeakPolarHBondContact O-CG 3.26Å; S630-M634 PolarHBondContact O-N 3.3Å |
| 631 | A | 70.3 | Confident | 64.1 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | I627 M634 L635 Y861 K864 C865 V868 | I627-A631 VanDerWaalsContact O-CB 3.26Å; I627-A631 WeakPolarHBondContact O-CB 3.27Å; I627-A631 PolarHBondContact O-N 2.64Å; A631-M634 PolarHBondContact O-N 2.7Å; A631-L635 WeakPolarHBondContact O-CD1 3.02Å; A631-L635 PolarHBondContact O-N 2.71Å; A631-Y861 HydrophobicContact CB-CD2 4.21Å; A631-Y861 HydrophobicContact CB-CE2 3.87Å; A631-K864 HydrophobicContact CB-CB 4.4Å; A631-C865 HydrophobicContact CB-CB 4.36Å; A631-C865 VanDerWaalsContact CB-SG 3.55Å; A631-V868 HydrophobicContact CB-CG2 4.16Å |
| 632 | W | 68.2 | Low | 64.1 | Low | 22 Ų | 22 | 62.7 Ų | 62.7 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.2 | -159.7 | -84.3 | 0 | 0 | 0 | 112.5 | F628 E629 S630 M634 L635 S636 Y861 F942 N945 A946 M949 V954 | F628-W632 VanDerWaalsContact O-CB 3.29Å; F628-W632 WeakPolarHBondContact O-CB 3.35Å; F628-W632 PolarHBondContact O-N 3.39Å; F628-W632 VanDerWaalsContact O-N 3.14Å; E629-W632 PolarHBondContact O-N 3.38Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.25Å; W632-M634 VanDerWaalsContact C-N 3.26Å; W632-M634 PolarHBondContact O-N 2.98Å; W632-L635 PolarHBondContact O-N 2.98Å; W632-S636 PolarHBondContact O-N 3.31Å; W632-S636 PolarHBondContact O-OG 2.93Å; W632-Y861 HydrophobicContact CB-CE2 4.41Å; W632-Y861 HydrophobicContact CE3-CD1 4.4Å; W632-Y861 HydrophobicContact CE3-CD2 4.03Å; W632-Y861 HydrophobicContact CE3-CE1 4.18Å; W632-Y861 AromaticContact CE3-CE2 3.78Å; W632-Y861 HydrophobicContact CE3-CE2 3.78Å; W632-Y861 HydrophobicContact CE3-CG 4.32Å; W632-Y861 AromaticContact CE3-CZ 3.85Å; W632-Y861 HydrophobicContact CZ3-CD1 4.24Å; W632-Y861 HydrophobicContact CZ3-CE1 4.25Å; W632-Y861 HydrophobicContact CZ3-CG 4.36Å; W632-F942 AromaticContact CE2-CE2 3.71Å; W632-F942 AromaticContact CE2-CZ 3.7Å; W632-F942 HydrophobicContact CH2-CD2 4.14Å; W632-F942 HydrophobicContact CH2-CE2 4.34Å; W632-F942 HydrophobicContact CZ2-CD1 4.09Å; W632-F942 AromaticContact CZ2-CD2 3.57Å; W632-F942 HydrophobicContact CZ2-CD2 3.57Å; W632-F942 HydrophobicContact CZ2-CE1 4.03Å; W632-F942 AromaticContact CZ2-CE2 3.5Å; W632-F942 HydrophobicContact CZ2-CE2 3.5Å; W632-F942 VanDerWaalsContact CZ2-CE2 3.5Å; W632-F942 AromaticContact CZ2-CG 3.88Å; W632-F942 HydrophobicContact CZ2-CG 3.88Å; W632-F942 AromaticContact CZ2-CZ 3.75Å; W632-F942 HydrophobicContact CZ2-CZ 3.75Å; W632-F942 AromaticContact NE1-CE1 3.83Å; W632-F942 AromaticContact NE1-CE2 3.75Å; W632-F942 AromaticContact NE1-CZ 3.29Å; W632-F942 VanDerWaalsContact NE1-CZ 3.29Å; W632-N945 HydrophobicContact CH2-CB 3.87Å; W632-N945 HydrophobicContact CZ3-CB 4.42Å; W632-A946 HydrophobicContact CZ2-CB 3.92Å; W632-M949 HydrophobicContact CE3-CE 4.29Å; W632-M949 HydrophobicContact CE3-SD 3.88Å; W632-M949 HydrophobicContact CZ3-SD 3.99Å; W632-V954 VanDerWaalsContact NE1-CG2 3.34Å |
| 633 | K | 66.1 | Low | 63.4 | Low | 83 Ų | 83 | 59.8 Ų | 59.8 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -32.7 | 174.8 | -75.3 | 167.8 | -174.7 | 161 | 0 | 113.4 | E629 S630 L635 S636 | E629-K633 WeakPolarHBondContact O-CG 3.3Å; E629-K633 PolarHBondContact O-N 3.41Å; E629-K633 WeakPolarHBondContact OE1-CE 3.44Å; E629-K633 IonicContact OE1-NZ 2.92Å; E629-K633 PolarHBondContact OE1-NZ 2.95Å; E629-K633 IonicContact OE2-NZ 3.45Å; S630-K633 PolarHBondContact O-N 3.34Å; K633-L635 VanDerWaalsContact C-N 3.32Å; K633-S636 VanDerWaalsContact CA-OG 3.32Å; K633-S636 WeakPolarHBondContact CA-OG 3.4Å; K633-S636 PolarHBondContact O-OG 2.98Å |
| 634 | M | 65.3 | Low | 62.7 | Low | 40 Ų | 40 | 59.7 Ų | 59.7 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.8 | -29.3 | 173.9 | -62.9 | 176.3 | 99.4 | 0 | 0 | 111.7 | S630 A631 W632 F808 K864 V868 | S630-M634 WeakPolarHBondContact O-CG 3.26Å; S630-M634 PolarHBondContact O-N 3.3Å; A631-M634 PolarHBondContact O-N 2.7Å; W632-M634 VanDerWaalsContact C-N 3.26Å; W632-M634 PolarHBondContact O-N 2.98Å; M634-F808 HydrophobicContact CE-CB 4.21Å; M634-F808 HydrophobicContact CE-CD1 4.14Å; M634-F808 HydrophobicContact CE-CD2 3.67Å; M634-F808 HydrophobicContact CE-CE1 4.43Å; M634-F808 HydrophobicContact CE-CE2 3.98Å; M634-F808 HydrophobicContact CE-CG 3.74Å; M634-F808 HydrophobicContact CE-CZ 4.34Å; M634-K864 HydrophobicContact CB-CG 4.02Å; M634-K864 VanDerWaalsContact CE-CE 3.43Å; M634-K864 HydrophobicContact SD-CD 4.39Å; M634-K864 HydrophobicContact SD-CG 3.96Å; M634-V868 HydrophobicContact SD-CG2 4.05Å |
| 635 | L | 63.4 | Low | 61.9 | Low | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -89.6 | -26.2 | -177.3 | -69.5 | 155.8 | 0 | 0 | 0 | 114.3 | A631 W632 K633 Q637 K638 N860 Y861 K864 | A631-L635 WeakPolarHBondContact O-CD1 3.02Å; A631-L635 PolarHBondContact O-N 2.71Å; W632-L635 PolarHBondContact O-N 2.98Å; K633-L635 VanDerWaalsContact C-N 3.32Å; L635-Q637 PolarHBondContact O-N 2.87Å; L635-K638 HydrophobicContact CD2-CD 4.19Å; L635-K638 WeakPolarHBondContact O-CB 3.41Å; L635-K638 PolarHBondContact O-N 3.01Å; L635-N860 WeakPolarHBondContact CD2-OD1 3.32Å; L635-Y861 HydrophobicContact CD1-CD2 3.53Å; L635-Y861 HydrophobicContact CD1-CG 4.1Å; L635-K864 HydrophobicContact CD1-CB 4.29Å |
| 636 | S | 57.9 | Low | 60.8 | Low | 19 Ų | 19 | 58.5 Ų | 58.5 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -11.1 | 169.9 | 36.4 | 0 | 0 | 0 | 0 | 114.2 | W632 K633 K638 D955 | W632-S636 PolarHBondContact O-N 3.31Å; W632-S636 PolarHBondContact O-OG 2.93Å; K633-S636 VanDerWaalsContact CA-OG 3.32Å; K633-S636 WeakPolarHBondContact CA-OG 3.4Å; K633-S636 PolarHBondContact O-OG 2.98Å; S636-K638 VanDerWaalsContact C-N 3.34Å; S636-D955 WeakPolarHBondContact CB-O 3.45Å |
| 637 | Q | 56.4 | Low | 59.1 | Low | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -1.2 | 174.8 | -53 | -172.7 | 21.8 | 0 | 0 | 113.7 | L635 Q801 L957 | L635-Q637 PolarHBondContact O-N 2.87Å; Q637-Q801 PolarHBondContact O-NE2 3.42Å; Q637-L957 WeakPolarHBondContact O-CD1 3.42Å |
| 638 | K | 58.9 | Low | 56.8 | Low | 104 Ų | 104 | 62.9 Ų | 62.9 | 45% | 0.452 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -86.4 | 137 | 172.1 | -66.6 | -173.5 | 173.3 | -176.1 | 0 | 110.9 | L635 S636 N860 | L635-K638 HydrophobicContact CD2-CD 4.19Å; L635-K638 WeakPolarHBondContact O-CB 3.41Å; L635-K638 PolarHBondContact O-N 3.01Å; S636-K638 VanDerWaalsContact C-N 3.34Å; K638-N860 PolarHBondContact NZ-OD1 3.45Å |
| 639 | N | 66.6 | Low | 54.6 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 130.5 | 174.5 | 178.6 | 46.8 | 0 | 0 | 0 | 111 | L957 D959 N960 | N639-L957 HydrophobicContact CB-CB 4.37Å; N639-L957 PolarHBondContact OD1-O 3.24Å; N639-D959 PolarHBondContact OD1-N 2.88Å; N639-D959 VanDerWaalsContact OD1-N 3.12Å; N639-N960 WeakPolarHBondContact CB-OD1 3.37Å; N639-N960 PolarHBondContact ND2-OD1 2.88Å; N639-N960 PolarHBondContact OD1-N 2.81Å |
| 640 | I | 73.4 | Confident | 52.7 | Low | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139 | 177.9 | -64.2 | 175.3 | 0 | 0 | 0 | 108.4 | D938 A939 F942 I956 L957 F958 D959 | I640-D938 HydrophobicContact CG2-CB 4.27Å; I640-A939 HydrophobicContact CG2-CB 3.81Å; I640-F942 HydrophobicContact CD1-CB 4.17Å; I640-F942 HydrophobicContact CD1-CD2 4.01Å; I640-F942 HydrophobicContact CD1-CG 4.04Å; I640-I956 HydrophobicContact CB-CD1 4.5Å; I640-I956 HydrophobicContact CD1-CD1 3.89Å; I640-I956 HydrophobicContact CD1-CG1 4.49Å; I640-L957 PolarHBondContact N-O 2.85Å; I640-F958 HydrophobicContact CB-CD1 4.32Å; I640-F958 HydrophobicContact CB-CE1 4.45Å; I640-F958 HydrophobicContact CG2-CD1 4.4Å; I640-F958 HydrophobicContact CG2-CE1 4.22Å; I640-F958 VanDerWaalsContact O-CA 3.3Å; I640-F958 WeakPolarHBondContact O-CA 3.32Å; I640-D959 PolarHBondContact O-N 3.07Å |
| 641 | Q | 67.6 | Low | 50.6 | Low | 123 Ų | 123 | 75.9 Ų | 75.9 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | trans | -76.4 | 133.5 | -179.4 | -160.3 | 175.9 | 58.7 | 0 | 0 | 110.7 | G643 S936 D959 | Q641-G643 PolarHBondContact O-N 3.21Å; Q641-S936 WeakPolarHBondContact O-CB 3.43Å; Q641-S936 PolarHBondContact O-OG 3.02Å; Q641-D959 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 642 | K | 62.3 | Low | 48.5 | Very low | 34 Ų | 34 | 82.4 Ų | 82.4 | 15% | 0.148 | 48% | 0.477 | C | S | . | . | trans | -74.2 | -26.6 | -165.1 | -166.8 | 160.6 | 173.8 | 152.7 | 0 | 115.5 | Y935 F958 D959 H963 E972 | K642-Y935 HydrophobicContact CG-CD1 4.32Å; K642-Y935 HydrophobicContact CG-CE1 4.29Å; K642-Y935 WeakPolarHBondContact O-CA 3.37Å; K642-Y935 WeakPolarHBondContact O-CD1 3.22Å; K642-F958 HydrophobicContact CB-CB 4.12Å; K642-F958 HydrophobicContact CB-CD1 4.27Å; K642-F958 HydrophobicContact CB-CG 4.32Å; K642-F958 HydrophobicContact CD-CB 3.97Å; K642-F958 HydrophobicContact CD-CD2 4.31Å; K642-F958 HydrophobicContact CD-CG 4.18Å; K642-F958 HydrophobicContact CG-CB 4.25Å; K642-F958 HydrophobicContact CG-CD1 4.33Å; K642-F958 HydrophobicContact CG-CG 4.16Å; K642-D959 WeakPolarHBondContact CB-OD2 3.28Å; K642-D959 PolarHBondContact N-OD1 2.85Å; K642-H963 PolarHBondContact NZ-NE2 2.86Å; K642-E972 WeakPolarHBondContact CE-OE1 3.22Å; K642-E972 WeakPolarHBondContact CE-OE2 3.24Å; K642-E972 IonicContact NZ-OE1 2.84Å; K642-E972 PolarHBondContact NZ-OE1 3.23Å; K642-E972 IonicContact NZ-OE2 2.7Å; K642-E972 PolarHBondContact NZ-OE2 3.11Å | ||
| 643 | G | 51.3 | Low | 46.4 | Very low | 13 Ų | 13 | 90.4 Ų | 90.4 | 13% | 0.134 | 51% | 0.512 | C | S | . | . | S | Bend | trans | 179.5 | 162.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q641 | Q641-G643 PolarHBondContact O-N 3.21Š|
| 644 | C | 38.1 | Very low | 44.5 | Very low | 93 Ų | 93 | 89.5 Ų | 89.5 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 145.3 | -170 | -164.3 | 0 | 0 | 0 | 0 | 114.4 | K933 | C644-K933 PolarHBondContact O-NZ 3.43Š|
| 645 | V | 30.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 95.5 Ų | 95.5 | 71% | 0.709 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 152.3 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | G647 | V645-G647 PolarHBondContact O-N 3.36Š|
| 646 | N | 30.1 | Very low | 40.7 | Very low | 160 Ų | 160 | 99.8 Ų | 99.8 | 86% | 0.856 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -72 | 128.4 | -164.8 | -60.6 | -30 | 0 | 0 | 0 | 114.5 | ||
| 647 | G | 32.5 | Very low | 39.3 | Very low | 81 Ų | 81 | 107.2 Ų | 107.2 | 84% | 0.835 | 62% | 0.62 | S | S | * | * | S | Bend | 87.7 | 45.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | V645 | V645-G647 PolarHBondContact O-N 3.36Š| |
| 648 | S | 24.5 | Very low | 37.9 | Very low | 111 Ų | 111 | 111.6 Ų | 111.6 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | -145.5 | 155.1 | 153.5 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 649 | A | 25.9 | Very low | 36.2 | Very low | 94 Ų | 94 | 112 Ų | 112 | 78% | 0.777 | 65% | 0.652 | S | S | * | * | trans | -75.8 | 133.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E651 | A649-E651 PolarHBondContact O-N 2.89Š| ||
| 650 | P | 28.7 | Very low | 34 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | -77.6 | 114.3 | 174.8 | -5.3 | 22.3 | 0 | 0 | 0 | 109.9 | ||||
| 651 | E | 24.9 | Very low | 31.7 | Very low | 178 Ų | 178 | 121.1 Ų | 121.1 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -64.9 | 134.4 | 160 | -65.9 | -177.2 | 142 | 0 | 0 | 108.9 | A649 K653 | A649-E651 PolarHBondContact O-N 2.89Å; E651-K653 PolarHBondContact O-N 3.26Å | ||
| 652 | L | 24.7 | Very low | 29.7 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 71% | 0.712 | 73% | 0.727 | S | S | * | * | trans | -76.4 | 123.9 | 168.8 | -75.1 | 162.6 | 0 | 0 | 0 | 109.1 | P998 | L652-P998 HydrophobicContact CD1-CB 3.76Å; L652-P998 HydrophobicContact CD1-CG 3.33Å | ||
| 653 | K | 25.5 | Very low | 27.8 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | trans | -111 | 126.6 | 153.8 | -75.7 | -170.6 | 173.9 | -177.2 | 0 | 108.2 | E651 | E651-K653 PolarHBondContact O-N 3.26Š| ||
| 654 | A | 25.2 | Very low | 26.5 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 53% | 0.529 | 78% | 0.784 | S | S | . | * | trans | -66.7 | 170.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 655 | D | 25.6 | Very low | 25.9 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 142.4 | -168.4 | -67 | -71.7 | 0 | 0 | 0 | 115.1 | ||||
| 656 | S | 24.4 | Very low | 25.6 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -124.9 | 111.2 | 151.9 | 62.2 | 0 | 0 | 0 | 0 | 108.7 | Q658 | S656-Q658 PolarHBondContact O-N 2.65Š| ||
| 657 | M | 28.6 | Very low | 25.8 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -67.9 | 129.6 | 171.3 | -60.7 | -167.1 | 81.8 | 0 | 0 | 110.3 | ||||
| 658 | Q | 25.5 | Very low | 26.1 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -156.4 | 117.2 | 152.8 | -102.3 | 145.5 | 32.2 | 0 | 0 | 105.3 | S656 | S656-Q658 PolarHBondContact O-N 2.65Š| ||
| 659 | T | 23.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | 52 | 104.1 | 62.5 | 73 | 0 | 0 | 0 | 0 | 111.6 | S661 | T659-S661 PolarHBondContact O-N 2.68Š| |||
| 660 | D | 21.6 | Very low | 26.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 126.4 | -176.1 | -55.7 | -89.9 | 0 | 0 | 0 | 113.2 | ||||
| 661 | S | 24.6 | Very low | 27.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -158.4 | 116.4 | 146.8 | 61.8 | 0 | 0 | 0 | 0 | 110 | T659 | T659-S661 PolarHBondContact O-N 2.68Š| ||
| 662 | N | 24.7 | Very low | 27.8 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 95% | 0.952 | 76% | 0.761 | S | S | * | * | trans | -72.1 | 148.9 | 170.6 | -82.4 | -51.8 | 0 | 0 | 0 | 111 | ||||
| 663 | G | 23.1 | Very low | 28.1 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 127.3 | 92.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 664 | A | 23.4 | Very low | 28.6 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | 77.1 | 130.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 665 | T | 26.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 56.2 | 107.7 | 149.4 | 51.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 666 | N | 25.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -144 | 79.4 | 155.8 | -129.7 | -35.5 | 0 | 0 | 0 | 112.4 | ||||
| 667 | T | 33.8 | Very low | 30 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -82.3 | 106.1 | 169.3 | 44.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 668 | G | 38.1 | Very low | 30.2 | Very low | 50 Ų | 50 | 127 Ų | 127 | 52% | 0.515 | 74% | 0.741 | S | S | . | * | trans | -172.4 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L670 A671 | G668-L670 PolarHBondContact O-N 3.04Å; G668-A671 PolarHBondContact O-N 2.68Å; G668-A671 VanDerWaalsContact O-N 3.13Å | ||
| 669 | L | 33 | Very low | 30.4 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 7.7 | -166.1 | -65.8 | 171.7 | 0 | 0 | 0 | 116.5 | ||
| 670 | L | 32.8 | Very low | 30.7 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -6.7 | 171.5 | -117.3 | 156.4 | 0 | 0 | 0 | 113.3 | G668 | G668-L670 PolarHBondContact O-N 3.04Š|
| 671 | A | 35.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -26.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | G668 | G668-A671 PolarHBondContact O-N 2.68Å; G668-A671 VanDerWaalsContact O-N 3.13Å |
| 672 | E | 38.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 51% | 0.505 | 74% | 0.741 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -39.8 | -170.2 | -168.8 | 150.5 | -130 | 0 | 0 | 113.3 | K674 R675 | E672-K674 PolarHBondContact O-N 2.74Å; E672-R675 PolarHBondContact O-N 3.25Å |
| 673 | A | 32.3 | Very low | 31.2 | Very low | 72 Ų | 72 | 129.9 Ų | 129.9 | 60% | 0.595 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -16.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 674 | K | 36.2 | Very low | 31.3 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -4.1 | 174.6 | -79.1 | -176.1 | 173.9 | 177.6 | 0 | 114.9 | E672 | E672-K674 PolarHBondContact O-N 2.74Š|
| 675 | R | 38.3 | Very low | 31.3 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -97.9 | -11.8 | -179.5 | -150.9 | -171.4 | -61.5 | 171.5 | 5.4 | 114.3 | E672 | E672-R675 PolarHBondContact O-N 3.25Š|
| 676 | I | 33.7 | Very low | 31.3 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -101 | -16.7 | -167 | -60.1 | 177 | 0 | 0 | 0 | 112.7 | S678 | I676-S678 PolarHBondContact O-N 2.59Š|
| 677 | V | 32.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -103 | 48.8 | 179.5 | -165 | 0 | 0 | 0 | 0 | 111.3 | ||
| 678 | S | 33.4 | Very low | 30.9 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 73% | 0.732 | S | S | * | * | trans | -149.9 | 45.7 | -177.5 | 67.5 | 0 | 0 | 0 | 0 | 116 | I676 | I676-S678 PolarHBondContact O-N 2.59Š| ||
| 679 | T | 28.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -161.8 | 99.3 | 154.7 | 13.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 680 | V | 30.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 135 Ų | 135 | 90% | 0.903 | 75% | 0.745 | S | S | * | * | trans | -115.9 | 99.9 | 159.3 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 681 | D | 25.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -166.7 | 157.4 | 145.7 | -144.8 | -10.8 | 0 | 0 | 0 | 113.6 | ||||
| 682 | K | 28.2 | Very low | 30.5 | Very low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 69.1 | 88.6 | 159.2 | -66.2 | 166.1 | -167 | 171.3 | 0 | 121.8 | ||||
| 683 | R | 26.3 | Very low | 30 | Very low | 220 Ų | 220 | 136 Ų | 136 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | 55.2 | 115.8 | 115.9 | -66.8 | -171.5 | -170.4 | -160.8 | 3.4 | 122.4 | |||||
| 684 | Q | 25.3 | Very low | 29.7 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | 89.4 | 136.1 | 114.8 | -161.3 | 169.8 | -17.2 | 0 | 0 | 121.4 | |||||
| 685 | E | 24.8 | Very low | 29.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | 81.8 | 120 | 159.4 | -89.6 | 152.3 | -135.3 | 0 | 0 | 123.3 | ||||
| 686 | D | 25.9 | Very low | 28.9 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | 41.4 | 135.8 | 144.7 | -61.8 | 0.3 | 0 | 0 | 0 | 124.8 | ||||
| 687 | G | 23.3 | Very low | 28.7 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | 158.9 | 137 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 688 | V | 26.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 90% | 0.903 | 74% | 0.74 | S | S | * | * | trans | -135.8 | 163.4 | 173.1 | -118.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 689 | P | 37.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | -131.9 | 179 | -108.4 | 41.8 | -25.3 | 0 | 0 | 0 | 116.9 | |||||
| 690 | A | 24.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 69.8 | 166.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 691 | P | 45.2 | Very low | 27.9 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | cis | -129.2 | -164.1 | 2.7 | 40.3 | -21.4 | 0 | 0 | 0 | 114.8 | ||||
| 692 | D | 22.9 | Very low | 27.7 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 162.6 | 154.8 | -65 | -24.7 | 0 | 0 | 0 | 119 | ||||
| 693 | Q | 27.5 | Very low | 27.5 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | cis | -169.5 | 173.1 | -21.1 | -104.8 | 165.7 | 4.8 | 0 | 0 | 109.7 | ||||
| 694 | F | 27.6 | Very low | 27.4 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | 65.6 | 148.7 | 158 | -60.4 | -51.9 | 0 | 0 | 0 | 118.6 | ||||
| 695 | D | 30.3 | Very low | 27.4 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | cis | -139.3 | -155.3 | -2 | -118.4 | -30.6 | 0 | 0 | 0 | 109.4 | ||||
| 696 | D | 27.3 | Very low | 27.3 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -158.4 | 172.6 | 20.7 | -155.9 | -7.1 | 0 | 0 | 0 | 113.2 | ||||
| 697 | M | 28.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | -50.9 | 166.6 | 177.7 | -58.5 | -82.4 | -76.9 | 0 | 0 | 117 | ||||
| 698 | D | 28.1 | Very low | 28.3 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 60% | 0.604 | 73% | 0.733 | S | S | * | * | cis | -162.4 | 156.6 | 2.9 | -141.9 | 7.9 | 0 | 0 | 0 | 116.6 | ||||
| 699 | N | 26.9 | Very low | 28 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | 38.1 | 130.1 | 146.2 | -78.6 | -45.3 | 0 | 0 | 0 | 128.5 | ||||
| 700 | L | 28.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 54.7 | 152.6 | 134.5 | -95.7 | 63.9 | 0 | 0 | 0 | 123.4 | ||||
| 701 | D | 25.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | -165 | 177.8 | -8.1 | -153.6 | -9.4 | 0 | 0 | 0 | 112.8 | ||||
| 702 | L | 22 | Very low | 26.3 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 77 | 103.7 | 151.8 | -79.5 | 151.4 | 0 | 0 | 0 | 124.2 | ||||
| 703 | Y | 23.1 | Very low | 26.5 | Very low | 211 Ų | 211 | 135.7 Ų | 135.7 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | 64.4 | 151.6 | 127.5 | -98.5 | -102.5 | 0 | 0 | 0 | 126.3 | |||||
| 704 | T | 24.4 | Very low | 26.4 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | 63.5 | 161.4 | 162.4 | 37.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 705 | A | 25.2 | Very low | 26.3 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | cis | -173.9 | 177.6 | -40.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 706 | E | 23.2 | Very low | 26.1 | Very low | 196 Ų | 196 | 134 Ų | 134 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | trans | 75 | 154.9 | 155.5 | -70.8 | 177.8 | 169.9 | 0 | 0 | 123 | ||||
| 707 | E | 21.8 | Very low | 26.3 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -101.6 | -167.8 | 166.4 | -70.2 | -167.5 | 144.1 | 0 | 0 | 109.2 | ||||
| 708 | P | 46.8 | Very low | 26.4 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | -127.7 | -175.8 | -59.8 | 35.4 | -19.9 | 0 | 0 | 0 | 113.7 | |||||
| 709 | S | 22.2 | Very low | 26.3 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 90.7 | 153.8 | 145.4 | 82.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 710 | A | 22.6 | Very low | 26.2 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 150.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 711 | L | 23.7 | Very low | 26.1 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | cis | -166.5 | 168.8 | -22.1 | -112 | 175.1 | 0 | 0 | 0 | 110.3 | ||||
| 712 | A | 25.5 | Very low | 26.6 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 157.6 | 163 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 713 | D | 25.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -144.8 | -154.4 | 1.8 | -142.7 | -13.6 | 0 | 0 | 0 | 109.4 | ||||
| 714 | Q | 25.9 | Very low | 27.1 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -165.8 | 169.8 | 3.8 | -129.5 | 144.9 | 53.7 | 0 | 0 | 105.6 | ||||
| 715 | D | 25 | Very low | 27 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -163.2 | -168.7 | 0.6 | -150.9 | -7.8 | 0 | 0 | 0 | 112.7 | ||||
| 716 | V | 26.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -42.1 | 165.9 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 717 | T | 31.1 | Very low | 26.9 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | cis | -174.5 | 178.7 | -15 | 39.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 718 | D | 30.1 | Very low | 27.1 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -130.2 | -119.8 | -6.2 | -172.4 | 24.3 | 0 | 0 | 0 | 110.3 | ||||
| 719 | V | 26.8 | Very low | 25.9 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | cis | -145.6 | 113.5 | 6.9 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 720 | Q | 25.5 | Very low | 25.9 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 56.5 | 160.9 | 154.2 | -68.5 | -169.3 | -1.9 | 0 | 0 | 125.3 | ||||
| 721 | S | 25.2 | Very low | 26.8 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -105.4 | -167.5 | -165.1 | -30.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 722 | P | 35.8 | Very low | 26.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -145.3 | -179 | 45.4 | 39.3 | -15.8 | 0 | 0 | 0 | 118.6 | ||||
| 723 | Q | 24.3 | Very low | 26.5 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -95.5 | -174 | 176.9 | -56.6 | -174.9 | -28.8 | 0 | 0 | 113.7 | ||||
| 724 | P | 32.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | -147.8 | 150 | 81.5 | 38.7 | -20.7 | 0 | 0 | 0 | 118.4 | |||||
| 725 | L | 22.4 | Very low | 26.2 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | 42.2 | 148.8 | 131.9 | -60.3 | 170.1 | 0 | 0 | 0 | 122.1 | ||||
| 726 | S | 23 | Very low | 26.2 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | -162.6 | -179.8 | -1.7 | 50.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 727 | D | 23.1 | Very low | 26 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | 75.6 | 143.9 | 160.2 | -61.6 | -50.8 | 0 | 0 | 0 | 119.8 | ||||
| 728 | Q | 25.4 | Very low | 25.8 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -164.3 | 152.5 | -24.1 | -132.9 | 179.9 | 83.5 | 0 | 0 | 111.7 | ||||
| 729 | N | 23.1 | Very low | 25.6 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 71.5 | 161 | 156.9 | -58.9 | -34 | 0 | 0 | 0 | 122.4 | ||||
| 730 | V | 20.6 | Very low | 25.9 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -144.8 | -174.2 | -177.3 | -124.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 731 | P | 41.8 | Very low | 26.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -116.2 | 178.1 | -51.3 | 36.6 | -22.7 | 0 | 0 | 0 | 111 | |||||
| 732 | S | 20.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -174 | 169.1 | 140.2 | -156.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 733 | A | 22.9 | Very low | 27.3 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -92.9 | 155.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 734 | F | 23.1 | Very low | 28.3 | Very low | 198 Ų | 198 | 122.3 Ų | 122.3 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | trans | 67.4 | 138.4 | 144.7 | -93.1 | -80.5 | 0 | 0 | 0 | 123.2 | ||||
| 735 | L | 22.5 | Very low | 29.2 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | 82 | 105.4 | 156.4 | -64.6 | 177.4 | 0 | 0 | 0 | 122.8 | ||||
| 736 | S | 23.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | 83.7 | 146.9 | 126.8 | 76.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 737 | Q | 23.5 | Very low | 31.9 | Very low | 197 Ų | 197 | 120.3 Ų | 120.3 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | trans | 64.1 | 139.1 | 179.1 | -58.9 | -179.7 | -13 | 0 | 0 | 115.8 | ||||
| 738 | G | 25.5 | Very low | 33.4 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | cis | 137.5 | 78.2 | -4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 739 | V | 26.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 115 Ų | 115 | 82% | 0.824 | 68% | 0.684 | S | S | * | * | trans | -137.5 | 105.4 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 740 | L | 33.7 | Very low | 36.1 | Very low | 150 Ų | 150 | 110.7 Ų | 110.7 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -78 | 141.6 | 149.1 | -78.5 | 87.6 | 0 | 0 | 0 | 107.6 | L744 | L740-L744 HydrophobicContact CD2-CD1 4.09Š| ||
| 741 | G | 34.5 | Very low | 37.9 | Very low | 73 Ų | 73 | 107.4 Ų | 107.4 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | trans | -178.5 | 42.9 | -175 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 742 | S | 35.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 105.7 Ų | 105.7 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -152.7 | -62 | 165.9 | 56.9 | 0 | 0 | 0 | 0 | 114 | L744 E745 | S742-L744 VanDerWaalsContact C-N 3.34Å; S742-L744 PolarHBondContact O-N 2.87Å; S742-E745 PolarHBondContact O-N 3.3Å |
| 743 | S | 45.9 | Very low | 40.4 | Very low | 70 Ų | 70 | 100.9 Ų | 100.9 | 49% | 0.49 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -33.8 | -168.6 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | E745 E746 E747 | S743-E745 PolarHBondContact O-N 3.44Å; S743-E746 PolarHBondContact O-N 3.2Å; S743-E747 WeakPolarHBondContact O-CB 3.36Å; S743-E747 PolarHBondContact O-N 3.44Å |
| 744 | L | 45.1 | Very low | 42 | Very low | 105 Ų | 105 | 101.6 Ų | 101.6 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.5 | -26.9 | -179.2 | -76.9 | 167.1 | 0 | 0 | 0 | 113.5 | L740 S742 A748 | L740-L744 HydrophobicContact CD2-CD1 4.09Å; S742-L744 VanDerWaalsContact C-N 3.34Å; S742-L744 PolarHBondContact O-N 2.87Å; L744-A748 WeakPolarHBondContact O-CB 3.48Å; L744-A748 PolarHBondContact O-N 3.29Å |
| 745 | E | 49.8 | Very low | 43.6 | Very low | 129 Ų | 129 | 97.6 Ų | 97.6 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.9 | -42.9 | 178 | -172.3 | 66.9 | -135.8 | 0 | 0 | 110.8 | S742 S743 Q749 | S742-E745 PolarHBondContact O-N 3.3Å; S743-E745 PolarHBondContact O-N 3.44Å; E745-Q749 VanDerWaalsContact O-CG 3.27Å; E745-Q749 WeakPolarHBondContact O-CG 3.49Å; E745-Q749 PolarHBondContact O-N 2.74Å; E745-Q749 VanDerWaalsContact O-N 3.07Å; E745-Q749 PolarHBondContact OE1-NE2 3.43Å; E745-Q749 VanDerWaalsContact OE1-NE2 3.12Å |
| 746 | E | 51.8 | Low | 45.1 | Very low | 73 Ų | 73 | 96.2 Ų | 96.2 | 34% | 0.341 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.3 | -37.1 | 177.5 | -61.5 | -164.7 | 144.9 | 0 | 0 | 111.9 | S743 Q749 L750 | S743-E746 PolarHBondContact O-N 3.2Å; E746-Q749 PolarHBondContact O-N 3.49Å; E746-L750 WeakPolarHBondContact O-CB 3.48Å; E746-L750 PolarHBondContact O-N 3.39Å |
| 747 | E | 52.1 | Low | 46.7 | Very low | 106 Ų | 106 | 96.1 Ų | 96.1 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -35.8 | 176.9 | -166.4 | 169.2 | -142.5 | 0 | 0 | 112.4 | S743 S751 | S743-E747 WeakPolarHBondContact O-CB 3.36Å; S743-E747 PolarHBondContact O-N 3.44Å; E747-S751 WeakPolarHBondContact O-CB 3.13Å; E747-S751 PolarHBondContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 2.91Å |
| 748 | A | 53.3 | Low | 48 | Very low | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L744 S751 L752 | L744-A748 WeakPolarHBondContact O-CB 3.48Å; L744-A748 PolarHBondContact O-N 3.29Å; A748-S751 PolarHBondContact O-N 3.22Å; A748-L752 WeakPolarHBondContact O-CB 3.07Å; A748-L752 PolarHBondContact O-N 3.23Å |
| 749 | Q | 53.9 | Low | 49.4 | Very low | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.1 | -72.8 | 175.5 | 32.6 | 0 | 0 | 112.4 | E745 E746 L752 A753 | E745-Q749 VanDerWaalsContact O-CG 3.27Å; E745-Q749 WeakPolarHBondContact O-CG 3.49Å; E745-Q749 PolarHBondContact O-N 2.74Å; E745-Q749 VanDerWaalsContact O-N 3.07Å; E745-Q749 PolarHBondContact OE1-NE2 3.43Å; E745-Q749 VanDerWaalsContact OE1-NE2 3.12Å; E746-Q749 PolarHBondContact O-N 3.49Å; Q749-L752 PolarHBondContact O-N 3.07Å; Q749-A753 WeakPolarHBondContact O-CB 3.29Å; Q749-A753 PolarHBondContact O-N 3.48Å |
| 750 | L | 52.4 | Low | 50.7 | Low | 48 Ų | 48 | 94.5 Ų | 94.5 | 25% | 0.251 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 173.1 | -175.4 | 65 | 0 | 0 | 0 | 111.5 | E746 L752 A753 I754 | E746-L750 WeakPolarHBondContact O-CB 3.48Å; E746-L750 PolarHBondContact O-N 3.39Å; L750-L752 PolarHBondContact O-N 3.36Å; L750-A753 PolarHBondContact O-N 2.78Å; L750-I754 HydrophobicContact CD1-CD1 4.46Å; L750-I754 HydrophobicContact CG-CD1 4.16Å; L750-I754 WeakPolarHBondContact O-CG1 3.44Å; L750-I754 PolarHBondContact O-N 3.42Å |
| 751 | S | 56.8 | Low | 51.8 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 112 | E747 A748 I754 Q755 | E747-S751 WeakPolarHBondContact O-CB 3.13Å; E747-S751 PolarHBondContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 2.91Å; A748-S751 PolarHBondContact O-N 3.22Å; S751-I754 PolarHBondContact O-N 3.17Å; S751-Q755 PolarHBondContact O-N 3.01Å |
| 752 | L | 59 | Low | 52.9 | Low | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.9 | -168.6 | 70.5 | 0 | 0 | 0 | 111.9 | A748 Q749 L750 Q755 Y756 | A748-L752 WeakPolarHBondContact O-CB 3.07Å; A748-L752 PolarHBondContact O-N 3.23Å; Q749-L752 PolarHBondContact O-N 3.07Å; L750-L752 PolarHBondContact O-N 3.36Å; L752-Q755 PolarHBondContact O-N 2.83Å; L752-Y756 HydrophobicContact CD1-CD2 4.48Å; L752-Y756 HydrophobicContact CD1-CE2 3.96Å; L752-Y756 HydrophobicContact CD2-CE2 3.84Å; L752-Y756 HydrophobicContact CG-CD2 3.91Å; L752-Y756 HydrophobicContact CG-CE2 3.55Å; L752-Y756 WeakPolarHBondContact O-CB 3.36Å; L752-Y756 VanDerWaalsContact O-CD2 3.28Å; L752-Y756 WeakPolarHBondContact O-CD2 3.44Å; L752-Y756 PolarHBondContact O-N 3.32Å |
| 753 | A | 56.1 | Low | 53.4 | Low | 27 Ų | 27 | 102.7 Ų | 102.7 | 22% | 0.223 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q749 L750 S757 | Q749-A753 WeakPolarHBondContact O-CB 3.29Å; Q749-A753 PolarHBondContact O-N 3.48Å; L750-A753 PolarHBondContact O-N 2.78Å; A753-S757 WeakPolarHBondContact O-CB 3.28Å; A753-S757 PolarHBondContact O-N 3.37Å |
| 754 | I | 57.2 | Low | 54 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.4 | -68.3 | 165.7 | 0 | 0 | 0 | 110.9 | L750 S751 S757 M758 | L750-I754 HydrophobicContact CD1-CD1 4.46Å; L750-I754 HydrophobicContact CG-CD1 4.16Å; L750-I754 WeakPolarHBondContact O-CG1 3.44Å; L750-I754 PolarHBondContact O-N 3.42Å; S751-I754 PolarHBondContact O-N 3.17Å; I754-S757 WeakPolarHBondContact O-CB 3.46Å; I754-S757 PolarHBondContact O-N 2.91Å; I754-S757 VanDerWaalsContact O-N 3.14Å; I754-M758 PolarHBondContact O-N 2.86Å |
| 755 | Q | 56.8 | Low | 54.5 | Low | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.8 | -175.7 | 170.3 | -17.4 | 0 | 0 | 111.7 | S751 L752 S757 M758 E759 | S751-Q755 PolarHBondContact O-N 3.01Å; L752-Q755 PolarHBondContact O-N 2.83Å; Q755-S757 VanDerWaalsContact C-N 3.26Å; Q755-S757 PolarHBondContact O-N 2.95Å; Q755-M758 PolarHBondContact O-N 3.39Å; Q755-E759 PolarHBondContact O-N 3.17Å |
| 756 | Y | 54.6 | Low | 54.7 | Low | 118 Ų | 118 | 106.4 Ų | 106.4 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -31.9 | 172.7 | -80.4 | -38.4 | 0 | 0 | 0 | 113.2 | L752 M758 W763 | L752-Y756 HydrophobicContact CD1-CD2 4.48Å; L752-Y756 HydrophobicContact CD1-CE2 3.96Å; L752-Y756 HydrophobicContact CD2-CE2 3.84Å; L752-Y756 HydrophobicContact CG-CD2 3.91Å; L752-Y756 HydrophobicContact CG-CE2 3.55Å; L752-Y756 WeakPolarHBondContact O-CB 3.36Å; L752-Y756 VanDerWaalsContact O-CD2 3.28Å; L752-Y756 WeakPolarHBondContact O-CD2 3.44Å; L752-Y756 PolarHBondContact O-N 3.32Å; Y756-M758 PolarHBondContact O-N 3.24Å; Y756-W763 AromaticContact CD1-CH2 3.82Å; Y756-W763 HydrophobicContact CD1-CH2 3.82Å; Y756-W763 AromaticContact CG-CH2 3.79Å; Y756-W763 HydrophobicContact CG-CH2 3.79Å; Y756-W763 HydrophobicContact CG-CZ3 4.45Å; Y756-W763 WeakPolarHBondContact O-CZ3 3.4Å |
| 757 | S | 55.7 | Low | 55 | Low | 101 Ų | 101 | 106.7 Ų | 106.7 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -7 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 114.2 | A753 I754 Q755 | A753-S757 WeakPolarHBondContact O-CB 3.28Å; A753-S757 PolarHBondContact O-N 3.37Å; I754-S757 WeakPolarHBondContact O-CB 3.46Å; I754-S757 PolarHBondContact O-N 2.91Å; I754-S757 VanDerWaalsContact O-N 3.14Å; Q755-S757 VanDerWaalsContact C-N 3.26Å; Q755-S757 PolarHBondContact O-N 2.95Å |
| 758 | M | 52.3 | Low | 55.4 | Low | 153 Ų | 153 | 107 Ų | 107 | 75% | 0.754 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -18.8 | 179.6 | -69.8 | -175.8 | 64.8 | 0 | 0 | 114 | I754 Q755 Y756 A760 | I754-M758 PolarHBondContact O-N 2.86Å; Q755-M758 PolarHBondContact O-N 3.39Å; Y756-M758 PolarHBondContact O-N 3.24Å; M758-A760 VanDerWaalsContact C-N 3.26Å; M758-A760 PolarHBondContact O-N 3.4Å |
| 759 | E | 54.3 | Low | 55.8 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | trans | -83.3 | 65 | 179.1 | -69.3 | -171.1 | -174.1 | 0 | 0 | 112.1 | Q755 N761 | Q755-E759 PolarHBondContact O-N 3.17Å; E759-N761 PolarHBondContact O-N 3.45Å | ||
| 760 | A | 53.9 | Low | 56.4 | Low | 84 Ų | 84 | 111 Ų | 111 | 69% | 0.694 | 57% | 0.567 | S | S | * | * | trans | -68.3 | 84.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M758 | M758-A760 VanDerWaalsContact C-N 3.26Å; M758-A760 PolarHBondContact O-N 3.4Å | ||
| 761 | N | 56.5 | Low | 56.8 | Low | 152 Ų | 152 | 113 Ų | 113 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -162 | 122.1 | 152.8 | -98.2 | -61.6 | 0 | 0 | 0 | 112.2 | E759 | E759-N761 PolarHBondContact O-N 3.45Š|
| 762 | Q | 56.9 | Low | 56.8 | Low | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.874 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 81.9 | 39.3 | 170.6 | -49 | -172.1 | 11.9 | 0 | 0 | 119.9 | ||
| 763 | W | 47.2 | Very low | 56.9 | Low | 152 Ų | 152 | 115.5 Ų | 115.5 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | trans | -115.1 | 167.5 | 156.5 | -71.3 | -22.7 | 0 | 0 | 0 | 112.1 | Y756 | Y756-W763 AromaticContact CD1-CH2 3.82Å; Y756-W763 HydrophobicContact CD1-CH2 3.82Å; Y756-W763 AromaticContact CG-CH2 3.79Å; Y756-W763 HydrophobicContact CG-CH2 3.79Å; Y756-W763 HydrophobicContact CG-CZ3 4.45Å; Y756-W763 WeakPolarHBondContact O-CZ3 3.4Å | ||
| 764 | S | 59.3 | Low | 57.2 | Low | 58 Ų | 58 | 120 Ų | 120 | 41% | 0.406 | 59% | 0.59 | S | S | . | * | trans | -94.9 | 153.5 | 177.8 | 88.2 | 0 | 0 | 0 | 0 | 111.4 | Q766 D767 E768 | S764-Q766 PolarHBondContact O-N 3.41Å; S764-Q766 PolarHBondContact OG-N 3.11Å; S764-D767 WeakPolarHBondContact CA-OD2 3.07Å; S764-D767 WeakPolarHBondContact CB-OD2 3.38Å; S764-D767 PolarHBondContact N-OD2 2.8Å; S764-D767 WeakPolarHBondContact O-CB 3.3Å; S764-D767 PolarHBondContact O-N 3.2Å; S764-D767 PolarHBondContact OG-OD2 3.37Å; S764-E768 PolarHBondContact O-N 3Å | ||
| 765 | Q | 54 | Low | 57.1 | Low | 170 Ų | 170 | 117 Ų | 117 | 79% | 0.794 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.2 | -18.3 | 179.6 | -62.8 | -170.2 | -64.4 | 0 | 0 | 113.7 | E769 | Q765-E769 PolarHBondContact O-N 3.47Å |
| 766 | Q | 54.9 | Low | 57.1 | Low | 154 Ų | 154 | 114.6 Ų | 114.6 | 72% | 0.72 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -82.4 | -28.6 | 177.9 | -164.9 | 166.1 | -7 | 0 | 0 | 112 | S764 E770 | S764-Q766 PolarHBondContact O-N 3.41Å; S764-Q766 PolarHBondContact OG-N 3.11Å; Q766-E770 PolarHBondContact O-N 3Å |
| 767 | D | 59 | Low | 57.2 | Low | 79 Ų | 79 | 115.6 Ų | 115.6 | 42% | 0.422 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.7 | -38.6 | 173.7 | -48.9 | -66.7 | 0 | 0 | 0 | 110.8 | S764 E770 Q771 | S764-D767 WeakPolarHBondContact CA-OD2 3.07Å; S764-D767 WeakPolarHBondContact CB-OD2 3.38Å; S764-D767 PolarHBondContact N-OD2 2.8Å; S764-D767 WeakPolarHBondContact O-CB 3.3Å; S764-D767 PolarHBondContact O-N 3.2Å; S764-D767 PolarHBondContact OG-OD2 3.37Å; D767-E770 PolarHBondContact O-N 3.38Å; D767-Q771 WeakPolarHBondContact O-CG 3.44Å; D767-Q771 PolarHBondContact O-N 2.77Å; D767-Q771 VanDerWaalsContact O-N 3.07Å |
| 768 | E | 60.1 | Low | 57.3 | Low | 113 Ų | 113 | 113.3 Ų | 113.3 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -47.1 | 176 | -67.1 | 179.6 | 147.4 | 0 | 0 | 111.7 | S764 Q771 F772 | S764-E768 PolarHBondContact O-N 3Å; E768-Q771 PolarHBondContact O-N 2.86Å; E768-F772 WeakPolarHBondContact O-CB 3.43Å; E768-F772 PolarHBondContact O-N 2.93Å |
| 769 | E | 62.1 | Low | 57.4 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 178.3 | -176 | 69.9 | -151.6 | 0 | 0 | 112 | Q765 F772 Q773 | Q765-E769 PolarHBondContact O-N 3.47Å; E769-F772 PolarHBondContact O-N 3.42Å; E769-Q773 WeakPolarHBondContact O-CB 2.96Å; E769-Q773 PolarHBondContact O-N 3.38Å; E769-Q773 PolarHBondContact OE1-NE2 2.87Å |
| 770 | E | 66.3 | Low | 57.4 | Low | 134 Ų | 134 | 109 Ų | 109 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 175.4 | -95.8 | -162.8 | -169.6 | 0 | 0 | 112.6 | Q766 D767 Q773 K774 | Q766-E770 PolarHBondContact O-N 3Å; D767-E770 PolarHBondContact O-N 3.38Å; E770-Q773 PolarHBondContact O-N 3.12Å; E770-K774 PolarHBondContact O-N 3.27Å |
| 771 | Q | 60.4 | Low | 57.2 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 177.1 | -63.4 | -68.1 | 9.5 | 0 | 0 | 111.5 | D767 E768 K774 A775 | D767-Q771 WeakPolarHBondContact O-CG 3.44Å; D767-Q771 PolarHBondContact O-N 2.77Å; D767-Q771 VanDerWaalsContact O-N 3.07Å; E768-Q771 PolarHBondContact O-N 2.86Å; Q771-K774 WeakPolarHBondContact O-CB 3.37Å; Q771-K774 PolarHBondContact O-N 3.3Å; Q771-A775 PolarHBondContact O-N 3.28Å |
| 772 | F | 57.1 | Low | 56.6 | Low | 121 Ų | 121 | 106.8 Ų | 106.8 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 172.2 | -177.4 | -106.7 | 0 | 0 | 0 | 111.5 | E768 E769 K774 A775 L776 | E768-F772 WeakPolarHBondContact O-CB 3.43Å; E768-F772 PolarHBondContact O-N 2.93Å; E769-F772 PolarHBondContact O-N 3.42Å; F772-K774 VanDerWaalsContact C-N 3.33Å; F772-K774 PolarHBondContact O-N 3.03Å; F772-A775 PolarHBondContact O-N 3.22Å; F772-L776 HydrophobicContact CE1-CD1 4.17Å; F772-L776 HydrophobicContact CZ-CD1 3.97Å; F772-L776 WeakPolarHBondContact O-CB 3.4Å; F772-L776 PolarHBondContact O-N 3.14Å |
| 773 | Q | 60.4 | Low | 55.9 | Low | 84 Ų | 84 | 102.2 Ų | 102.2 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 176.6 | -133.8 | 70.9 | -103.2 | 0 | 0 | 112.1 | E769 E770 L776 E777 | E769-Q773 WeakPolarHBondContact O-CB 2.96Å; E769-Q773 PolarHBondContact O-N 3.38Å; E769-Q773 PolarHBondContact OE1-NE2 2.87Å; E770-Q773 PolarHBondContact O-N 3.12Å; Q773-L776 CarbonylContact O-C 3.57Å; Q773-L776 WeakPolarHBondContact O-CB 3.34Å; Q773-L776 PolarHBondContact O-N 2.95Å; Q773-E777 PolarHBondContact O-N 3.27Å |
| 774 | K | 62.2 | Low | 55.5 | Low | 121 Ų | 121 | 104.5 Ų | 104.5 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 174 | -106.3 | 174.6 | 177.9 | 167.1 | 0 | 112.8 | E770 Q771 F772 L776 E777 L778 | E770-K774 PolarHBondContact O-N 3.27Å; Q771-K774 WeakPolarHBondContact O-CB 3.37Å; Q771-K774 PolarHBondContact O-N 3.3Å; F772-K774 VanDerWaalsContact C-N 3.33Å; F772-K774 PolarHBondContact O-N 3.03Å; K774-L776 VanDerWaalsContact C-N 3.25Å; K774-L776 PolarHBondContact O-N 2.93Å; K774-E777 PolarHBondContact O-N 3.3Å; K774-L778 WeakPolarHBondContact O-CB 3.47Å; K774-L778 PolarHBondContact O-N 3.44Å |
| 775 | A | 54.6 | Low | 54.2 | Low | 29 Ų | 29 | 108 Ų | 108 | 24% | 0.24 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q771 F772 S779 | Q771-A775 PolarHBondContact O-N 3.28Å; F772-A775 PolarHBondContact O-N 3.22Å; A775-S779 VanDerWaalsContact O-CB 3.29Å; A775-S779 WeakPolarHBondContact O-CB 3.5Å; A775-S779 PolarHBondContact O-N 3.49Å |
| 776 | L | 56.4 | Low | 53.2 | Low | 64 Ų | 64 | 107.4 Ų | 107.4 | 34% | 0.335 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 176.4 | -143.6 | 98 | 0 | 0 | 0 | 113 | F772 Q773 K774 K780 | F772-L776 HydrophobicContact CE1-CD1 4.17Å; F772-L776 HydrophobicContact CZ-CD1 3.97Å; F772-L776 WeakPolarHBondContact O-CB 3.4Å; F772-L776 PolarHBondContact O-N 3.14Å; Q773-L776 CarbonylContact O-C 3.57Å; Q773-L776 WeakPolarHBondContact O-CB 3.34Å; Q773-L776 PolarHBondContact O-N 2.95Å; K774-L776 VanDerWaalsContact C-N 3.25Å; K774-L776 PolarHBondContact O-N 2.93Å; L776-K780 WeakPolarHBondContact O-CB 3.43Å; L776-K780 WeakPolarHBondContact O-CD 3.22Å; L776-K780 VanDerWaalsContact O-CG 3.24Å; L776-K780 WeakPolarHBondContact O-CG 3.2Å; L776-K780 PolarHBondContact O-N 3.07Å; L776-K780 VanDerWaalsContact O-N 3.16Å |
| 777 | E | 58.1 | Low | 52.2 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.8 | -42.6 | 172.6 | -75.9 | -152.7 | 130 | 0 | 0 | 112.5 | Q773 K774 S779 K780 K781 | Q773-E777 PolarHBondContact O-N 3.27Å; K774-E777 PolarHBondContact O-N 3.3Å; E777-S779 PolarHBondContact O-N 2.88Å; E777-K780 CarbonylContact O-C 3.54Å; E777-K780 WeakPolarHBondContact O-CB 3.3Å; E777-K780 PolarHBondContact O-N 3.18Å; E777-K781 WeakPolarHBondContact O-CB 3.45Å; E777-K781 PolarHBondContact O-N 2.98Å |
| 778 | L | 57.1 | Low | 50.9 | Low | 53 Ų | 53 | 108 Ų | 108 | 28% | 0.277 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 174.5 | -79.7 | 163.7 | 0 | 0 | 0 | 111.3 | K774 K780 K781 M782 | K774-L778 WeakPolarHBondContact O-CB 3.47Å; K774-L778 PolarHBondContact O-N 3.44Å; L778-K780 PolarHBondContact O-N 3.41Å; L778-K781 WeakPolarHBondContact O-CA 3.25Å; L778-K781 VanDerWaalsContact O-CB 3.28Å; L778-K781 WeakPolarHBondContact O-CB 3.47Å; L778-K781 PolarHBondContact O-N 2.85Å; L778-M782 PolarHBondContact O-N 3.32Å |
| 779 | S | 54.1 | Low | 49.3 | Very low | 72 Ų | 72 | 110.2 Ų | 110.2 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | A775 E777 K781 T783 | A775-S779 VanDerWaalsContact O-CB 3.29Å; A775-S779 WeakPolarHBondContact O-CB 3.5Å; A775-S779 PolarHBondContact O-N 3.49Å; E777-S779 PolarHBondContact O-N 2.88Å; S779-K781 VanDerWaalsContact C-N 3.27Å; S779-K781 PolarHBondContact O-N 3.25Å; S779-T783 PolarHBondContact O-N 2.97Å; S779-T783 VanDerWaalsContact O-N 3.15Å; S779-T783 PolarHBondContact O-OG1 3.32Å |
| 780 | K | 53.9 | Low | 47.8 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 54% | 0.543 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -24.3 | 173.3 | -77.6 | 170.4 | -176.8 | 168.6 | 0 | 113.8 | L776 E777 L778 T783 R784 | L776-K780 WeakPolarHBondContact O-CB 3.43Å; L776-K780 WeakPolarHBondContact O-CD 3.22Å; L776-K780 VanDerWaalsContact O-CG 3.24Å; L776-K780 WeakPolarHBondContact O-CG 3.2Å; L776-K780 PolarHBondContact O-N 3.07Å; L776-K780 VanDerWaalsContact O-N 3.16Å; E777-K780 CarbonylContact O-C 3.54Å; E777-K780 WeakPolarHBondContact O-CB 3.3Å; E777-K780 PolarHBondContact O-N 3.18Å; L778-K780 PolarHBondContact O-N 3.41Å; K780-T783 WeakPolarHBondContact CA-OG1 3.44Å; K780-R784 WeakPolarHBondContact O-CB 3.42Å; K780-R784 PolarHBondContact O-N 3.5Å |
| 781 | K | 50.2 | Low | 46.1 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.9 | -49.7 | 177.2 | -131.9 | -175.3 | 164.8 | -141 | 0 | 110.3 | E777 L778 S779 T783 R784 E785 | E777-K781 WeakPolarHBondContact O-CB 3.45Å; E777-K781 PolarHBondContact O-N 2.98Å; L778-K781 WeakPolarHBondContact O-CA 3.25Å; L778-K781 VanDerWaalsContact O-CB 3.28Å; L778-K781 WeakPolarHBondContact O-CB 3.47Å; L778-K781 PolarHBondContact O-N 2.85Å; S779-K781 VanDerWaalsContact C-N 3.27Å; S779-K781 PolarHBondContact O-N 3.25Å; K781-T783 VanDerWaalsContact C-N 3.34Å; K781-T783 PolarHBondContact O-N 2.87Å; K781-R784 WeakPolarHBondContact O-CA 3.11Å; K781-R784 WeakPolarHBondContact O-CB 3.49Å; K781-R784 PolarHBondContact O-N 3.31Å; K781-E785 PolarHBondContact O-N 3.44Å |
| 782 | M | 44.7 | Very low | 44.7 | Very low | 88 Ų | 88 | 109.5 Ų | 109.5 | 43% | 0.433 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.3 | -45 | 173.5 | -77.9 | -179.7 | 161.5 | 0 | 0 | 112 | L778 R784 E785 | L778-M782 PolarHBondContact O-N 3.32Å; M782-R784 PolarHBondContact O-N 2.86Å; M782-E785 PolarHBondContact O-N 3.25Å |
| 783 | T | 42.1 | Very low | 43.7 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68 | -3.9 | 175.2 | 26.5 | 0 | 0 | 0 | 0 | 115.1 | S779 K780 K781 | S779-T783 PolarHBondContact O-N 2.97Å; S779-T783 VanDerWaalsContact O-N 3.15Å; S779-T783 PolarHBondContact O-OG1 3.32Å; K780-T783 WeakPolarHBondContact CA-OG1 3.44Å; K781-T783 VanDerWaalsContact C-N 3.34Å; K781-T783 PolarHBondContact O-N 2.87Å |
| 784 | R | 38.5 | Very low | 42.3 | Very low | 200 Ų | 200 | 110.3 Ų | 110.3 | 76% | 0.755 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -108 | -25.4 | -178.4 | -164.2 | 172.1 | -171.8 | 179 | 1 | 113.3 | K780 K781 M782 H787 | K780-R784 WeakPolarHBondContact O-CB 3.42Å; K780-R784 PolarHBondContact O-N 3.5Å; K781-R784 WeakPolarHBondContact O-CA 3.11Å; K781-R784 WeakPolarHBondContact O-CB 3.49Å; K781-R784 PolarHBondContact O-N 3.31Å; M782-R784 PolarHBondContact O-N 2.86Å; R784-H787 PolarHBondContact O-N 3.48Å |
| 785 | E | 31.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.7 | -27.9 | 178.2 | -66.2 | -173.3 | -169.4 | 0 | 0 | 112.2 | K781 M782 H787 S788 | K781-E785 PolarHBondContact O-N 3.44Å; M782-E785 PolarHBondContact O-N 3.25Å; E785-H787 PolarHBondContact O-N 2.85Å; E785-H787 VanDerWaalsContact O-N 3.13Å; E785-S788 PolarHBondContact O-OG 2.93Å |
| 786 | E | 34.1 | Very low | 39.8 | Very low | 159 Ų | 159 | 113.2 Ų | 113.2 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -9.2 | 167.2 | -69.4 | -163.6 | 143.4 | 0 | 0 | 114.4 | ||
| 787 | H | 33.9 | Very low | 39 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | 42.1 | -169.7 | -78.2 | 13.4 | 0 | 0 | 0 | 113.6 | R784 E785 | R784-H787 PolarHBondContact O-N 3.48Å; E785-H787 PolarHBondContact O-N 2.85Å; E785-H787 VanDerWaalsContact O-N 3.13Å |
| 788 | S | 29.8 | Very low | 37.9 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -116.2 | 27.1 | 175.8 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | E785 | E785-S788 PolarHBondContact O-OG 2.93Š|
| 789 | N | 28.5 | Very low | 36.7 | Very low | 159 Ų | 159 | 113 Ų | 113 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -152.9 | 71.2 | 171.4 | -106.3 | -29.6 | 0 | 0 | 0 | 114.4 | ||
| 790 | S | 29.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | trans | -176.9 | 155.8 | 152.7 | 33.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 791 | P | 31.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 72% | 0.721 | 63% | 0.627 | S | S | * | * | trans | -93.2 | 157.5 | -166.1 | 36 | -37 | 0 | 0 | 0 | 116.3 | ||||
| 792 | S | 29.4 | Very low | 34.7 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 63% | 0.631 | S | S | * | * | trans | 29.8 | 94.9 | 159.7 | 39.6 | 0 | 0 | 0 | 0 | 118.5 | N794 | S792-N794 VanDerWaalsContact C-N 3.35Å; S792-N794 PolarHBondContact O-N 2.91Å | ||
| 793 | G | 36.7 | Very low | 34.4 | Very low | 65 Ų | 65 | 116.1 Ų | 116.1 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 63.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 794 | N | 31.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -18.3 | 154.8 | -97.1 | -10.7 | 0 | 0 | 0 | 112.6 | S792 | S792-N794 VanDerWaalsContact C-N 3.35Å; S792-N794 PolarHBondContact O-N 2.91Å |
| 795 | S | 30.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 109.4 Ų | 109.4 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -85.2 | -22.8 | -174.3 | -47.7 | 0 | 0 | 0 | 0 | 114.5 | Q797 V798 A799 | S795-Q797 PolarHBondContact O-N 3.23Å; S795-V798 PolarHBondContact O-N 3.33Å; S795-A799 WeakPolarHBondContact O-CB 3.41Å; S795-A799 PolarHBondContact O-N 3.48Å |
| 796 | Q | 34.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 107.3 Ų | 107.3 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.7 | -26.5 | -168.9 | -73.8 | -179.2 | -20.6 | 0 | 0 | 115 | R800 | Q796-R800 PolarHBondContact O-N 3.47Å; Q796-R800 VanDerWaalsContact O-N 3.13Å |
| 797 | Q | 39.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 103.4 Ų | 103.4 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.6 | -40.4 | 175.2 | -81.9 | -173.8 | -28.2 | 0 | 0 | 112.3 | S795 A799 R800 Q801 | S795-Q797 PolarHBondContact O-N 3.23Å; Q797-A799 VanDerWaalsContact C-N 3.33Å; Q797-R800 PolarHBondContact O-N 2.9Å; Q797-Q801 PolarHBondContact O-N 2.59Å |
| 798 | V | 35 | Very low | 39.5 | Very low | 74 Ų | 74 | 97.8 Ų | 97.8 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.9 | -43.4 | 173.7 | -177.4 | 0 | 0 | 0 | 0 | 110 | S795 R800 Q801 Q802 | S795-V798 PolarHBondContact O-N 3.33Å; V798-R800 VanDerWaalsContact C-N 3.29Å; V798-R800 PolarHBondContact O-N 2.87Å; V798-Q801 PolarHBondContact O-N 2.94Å; V798-Q802 HydrophobicContact CG1-CG 4.47Å; V798-Q802 WeakPolarHBondContact O-CB 2.98Å; V798-Q802 WeakPolarHBondContact O-CG 3.19Å; V798-Q802 PolarHBondContact O-N 2.84Å |
| 799 | A | 31.7 | Very low | 41.3 | Very low | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -34 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S795 Q797 S803 | S795-A799 WeakPolarHBondContact O-CB 3.41Å; S795-A799 PolarHBondContact O-N 3.48Å; Q797-A799 VanDerWaalsContact C-N 3.33Å; A799-S803 VanDerWaalsContact O-CB 3.31Å; A799-S803 WeakPolarHBondContact O-CB 3.39Å; A799-S803 PolarHBondContact O-N 3.12Å; A799-S803 PolarHBondContact O-OG 2.8Å |
| 800 | R | 36.3 | Very low | 43.4 | Very low | 195 Ų | 195 | 94.3 Ų | 94.3 | 74% | 0.736 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.7 | -34.3 | 174.5 | -90.3 | -173.1 | 171.8 | 176.5 | -0.3 | 114 | Q796 Q797 V798 S803 V804 | Q796-R800 PolarHBondContact O-N 3.47Å; Q796-R800 VanDerWaalsContact O-N 3.13Å; Q797-R800 PolarHBondContact O-N 2.9Å; V798-R800 VanDerWaalsContact C-N 3.29Å; V798-R800 PolarHBondContact O-N 2.87Å; R800-S803 PolarHBondContact O-OG 2.86Å; R800-V804 WeakPolarHBondContact O-CG2 3.39Å; R800-V804 PolarHBondContact O-N 3.03Å |
| 801 | Q | 40.2 | Very low | 45.4 | Very low | 78 Ų | 78 | 91.2 Ų | 91.2 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 171.5 | -75.7 | 170.6 | -38.3 | 0 | 0 | 110.2 | Q637 Q797 V798 S803 V804 D805 | Q637-Q801 PolarHBondContact O-NE2 3.42Å; Q797-Q801 PolarHBondContact O-N 2.59Å; V798-Q801 PolarHBondContact O-N 2.94Å; Q801-S803 PolarHBondContact O-N 2.69Å; Q801-V804 PolarHBondContact O-N 3.02Å; Q801-D805 PolarHBondContact O-N 2.93Å |
| 802 | Q | 39.7 | Very low | 47.4 | Very low | 115 Ų | 115 | 87.4 Ų | 87.4 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 176.1 | -72.9 | 174.4 | -23.2 | 0 | 0 | 112 | V798 V804 D805 L806 | V798-Q802 HydrophobicContact CG1-CG 4.47Å; V798-Q802 WeakPolarHBondContact O-CB 2.98Å; V798-Q802 WeakPolarHBondContact O-CG 3.19Å; V798-Q802 PolarHBondContact O-N 2.84Å; Q802-V804 VanDerWaalsContact C-N 3.32Å; Q802-V804 PolarHBondContact O-N 2.82Å; Q802-D805 PolarHBondContact O-N 3.26Å; Q802-L806 HydrophobicContact CB-CD1 4.37Å; Q802-L806 WeakPolarHBondContact O-CB 3.33Å; Q802-L806 WeakPolarHBondContact O-CD1 3.36Å; Q802-L806 WeakPolarHBondContact O-CG 3.49Å; Q802-L806 PolarHBondContact O-N 2.93Å |
| 803 | S | 37.5 | Very low | 49.6 | Very low | 63 Ų | 63 | 87.1 Ų | 87.1 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67 | -27.6 | -176.4 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | A799 R800 Q801 S807 | A799-S803 VanDerWaalsContact O-CB 3.31Å; A799-S803 WeakPolarHBondContact O-CB 3.39Å; A799-S803 PolarHBondContact O-N 3.12Å; A799-S803 PolarHBondContact O-OG 2.8Å; R800-S803 PolarHBondContact O-OG 2.86Å; Q801-S803 PolarHBondContact O-N 2.69Å; S803-S807 VanDerWaalsContact O-CB 3.23Å; S803-S807 WeakPolarHBondContact O-CB 3.29Å; S803-S807 PolarHBondContact O-N 2.98Å |
| 804 | V | 51.2 | Low | 51.4 | Low | 72 Ų | 72 | 85.5 Ų | 85.5 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78.4 | -45.4 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | R800 Q801 Q802 S807 F808 | R800-V804 WeakPolarHBondContact O-CG2 3.39Å; R800-V804 PolarHBondContact O-N 3.03Å; Q801-V804 PolarHBondContact O-N 3.02Å; Q802-V804 VanDerWaalsContact C-N 3.32Å; Q802-V804 PolarHBondContact O-N 2.82Å; V804-S807 WeakPolarHBondContact O-CB 3.13Å; V804-S807 PolarHBondContact O-N 3.38Å; V804-F808 PolarHBondContact O-N 3.1Å; V804-F808 VanDerWaalsContact O-N 3.07Å |
| 805 | D | 49 | Very low | 53.6 | Low | 77 Ų | 77 | 78.3 Ų | 78.3 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 174.4 | -92.5 | -39.4 | 0 | 0 | 0 | 111.3 | Q801 Q802 S807 F808 E809 K864 | Q801-D805 PolarHBondContact O-N 2.93Å; Q802-D805 PolarHBondContact O-N 3.26Å; D805-S807 VanDerWaalsContact C-N 3.32Å; D805-S807 PolarHBondContact O-N 3.08Å; D805-F808 PolarHBondContact O-N 3.43Å; D805-E809 WeakPolarHBondContact O-CB 3.43Å; D805-E809 PolarHBondContact O-N 3.06Å; D805-K864 IonicContact OD1-NZ 3.86Å; D805-K864 PolarHBondContact OD1-NZ 3.09Å |
| 806 | L | 54 | Low | 56.2 | Low | 87 Ų | 87 | 75.2 Ų | 75.2 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 171.3 | -75.7 | 167.8 | 0 | 0 | 0 | 112 | Q802 E809 N810 | Q802-L806 HydrophobicContact CB-CD1 4.37Å; Q802-L806 WeakPolarHBondContact O-CB 3.33Å; Q802-L806 WeakPolarHBondContact O-CD1 3.36Å; Q802-L806 WeakPolarHBondContact O-CG 3.49Å; Q802-L806 PolarHBondContact O-N 2.93Å; L806-E809 PolarHBondContact O-N 3.32Å; L806-N810 WeakPolarHBondContact O-CB 3.49Å; L806-N810 PolarHBondContact O-N 2.92Å; L806-N810 PolarHBondContact O-ND2 3.2Å |
| 807 | S | 65.4 | Low | 58.6 | Low | 78 Ų | 78 | 71.4 Ų | 71.4 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | S803 V804 D805 A811 | S803-S807 VanDerWaalsContact O-CB 3.23Å; S803-S807 WeakPolarHBondContact O-CB 3.29Å; S803-S807 PolarHBondContact O-N 2.98Å; V804-S807 WeakPolarHBondContact O-CB 3.13Å; V804-S807 PolarHBondContact O-N 3.38Å; D805-S807 VanDerWaalsContact C-N 3.32Å; D805-S807 PolarHBondContact O-N 3.08Å; S807-A811 WeakPolarHBondContact O-CB 3.32Å; S807-A811 PolarHBondContact O-N 2.97Å |
| 808 | F | 68.8 | Low | 60.8 | Low | 35 Ų | 35 | 65.3 Ų | 65.3 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.2 | -172.2 | -86.6 | 0 | 0 | 0 | 112.4 | M634 V804 D805 A811 L812 E867 R871 | M634-F808 HydrophobicContact CE-CB 4.21Å; M634-F808 HydrophobicContact CE-CD1 4.14Å; M634-F808 HydrophobicContact CE-CD2 3.67Å; M634-F808 HydrophobicContact CE-CE1 4.43Å; M634-F808 HydrophobicContact CE-CE2 3.98Å; M634-F808 HydrophobicContact CE-CG 3.74Å; M634-F808 HydrophobicContact CE-CZ 4.34Å; V804-F808 PolarHBondContact O-N 3.1Å; V804-F808 VanDerWaalsContact O-N 3.07Å; D805-F808 PolarHBondContact O-N 3.43Å; F808-A811 PolarHBondContact O-N 2.69Å; F808-L812 PolarHBondContact O-N 3.27Å; F808-E867 HydrophobicContact CE1-CB 4.04Å; F808-R871 HydrophobicContact CE1-CB 4.15Å; F808-R871 HydrophobicContact CE2-CB 3.84Å; F808-R871 HydrophobicContact CE2-CG 3.78Å; F808-R871 HydrophobicContact CZ-CB 3.41Å; F808-R871 VanDerWaalsContact CZ-CB 3.41Å; F808-R871 HydrophobicContact CZ-CG 3.89Å |
| 809 | E | 67.7 | Low | 63.4 | Low | 92 Ų | 92 | 65.6 Ų | 65.6 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178 | -159.4 | -162.9 | 154.2 | 0 | 0 | 111.7 | D805 L806 L812 K813 | D805-E809 WeakPolarHBondContact O-CB 3.43Å; D805-E809 PolarHBondContact O-N 3.06Å; L806-E809 PolarHBondContact O-N 3.32Å; E809-L812 WeakPolarHBondContact O-CB 3.41Å; E809-L812 PolarHBondContact O-N 3.45Å; E809-K813 WeakPolarHBondContact O-CG 3.14Å; E809-K813 PolarHBondContact O-N 2.96Å; E809-K813 WeakPolarHBondContact OE1-CE 3.16Å; E809-K813 IonicContact OE1-NZ 2.75Å; E809-K813 PolarHBondContact OE1-NZ 2.91Å; E809-K813 IonicContact OE2-NZ 3.74Å |
| 810 | N | 72.1 | Confident | 66.1 | Low | 86 Ų | 86 | 63.1 Ų | 63.1 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 175.2 | -71.1 | -20.5 | 0 | 0 | 0 | 111.8 | L806 L812 K813 A814 | L806-N810 WeakPolarHBondContact O-CB 3.49Å; L806-N810 PolarHBondContact O-N 2.92Å; L806-N810 PolarHBondContact O-ND2 3.2Å; N810-L812 VanDerWaalsContact C-N 3.28Å; N810-L812 PolarHBondContact O-N 3.46Å; N810-K813 PolarHBondContact O-N 3.31Å; N810-A814 WeakPolarHBondContact O-CB 3.15Å; N810-A814 PolarHBondContact O-N 3.35Å |
| 811 | A | 71 | Confident | 68.7 | Low | 37 Ų | 37 | 54.8 Ų | 54.8 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | S807 F808 A815 | S807-A811 WeakPolarHBondContact O-CB 3.32Å; S807-A811 PolarHBondContact O-N 2.97Å; F808-A811 PolarHBondContact O-N 2.69Å; A811-A815 WeakPolarHBondContact O-CB 2.98Å; A811-A815 PolarHBondContact O-N 3.1Å; A811-A815 VanDerWaalsContact O-N 3.11Å |
| 812 | L | 74.3 | Confident | 71.2 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71 | -40.8 | 174.3 | -166.9 | 72.5 | 0 | 0 | 0 | 112.1 | F808 E809 N810 A815 N816 K870 R871 | F808-L812 PolarHBondContact O-N 3.27Å; E809-L812 WeakPolarHBondContact O-CB 3.41Å; E809-L812 PolarHBondContact O-N 3.45Å; N810-L812 VanDerWaalsContact C-N 3.28Å; N810-L812 PolarHBondContact O-N 3.46Å; L812-A815 PolarHBondContact O-N 2.95Å; L812-N816 PolarHBondContact O-N 2.89Å; L812-K870 HydrophobicContact CD1-CB 3.83Å; L812-K870 HydrophobicContact CD2-CB 4.34Å; L812-K870 HydrophobicContact CD2-CD 3.94Å; L812-R871 HydrophobicContact CD1-CB 4.33Å |
| 813 | K | 74.9 | Confident | 73.6 | Confident | 100 Ų | 100 | 45.6 Ų | 45.6 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.9 | -70.7 | 166.2 | -175.1 | 164.4 | 0 | 111.7 | E809 N810 A815 N816 T817 | E809-K813 WeakPolarHBondContact O-CG 3.14Å; E809-K813 PolarHBondContact O-N 2.96Å; E809-K813 WeakPolarHBondContact OE1-CE 3.16Å; E809-K813 IonicContact OE1-NZ 2.75Å; E809-K813 PolarHBondContact OE1-NZ 2.91Å; E809-K813 IonicContact OE2-NZ 3.74Å; N810-K813 PolarHBondContact O-N 3.31Å; K813-A815 VanDerWaalsContact C-N 3.33Å; K813-A815 PolarHBondContact O-N 3.08Å; K813-N816 PolarHBondContact O-N 3.37Å; K813-T817 WeakPolarHBondContact O-CB 3.39Å; K813-T817 PolarHBondContact O-N 3.07Å; K813-T817 VanDerWaalsContact O-N 3.17Å; K813-T817 PolarHBondContact O-OG1 3.35Å |
| 814 | A | 75.8 | Confident | 76.2 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C589 V617 N810 N816 T817 | C589-A814 PolarHBondContact SG-O 3.02Å; V617-A814 HydrophobicContact CB-CB 4.38Å; V617-A814 HydrophobicContact CG2-CB 4.3Å; N810-A814 WeakPolarHBondContact O-CB 3.15Å; N810-A814 PolarHBondContact O-N 3.35Å; A814-N816 VanDerWaalsContact C-N 3.26Å; A814-N816 PolarHBondContact O-N 3.1Å; A814-T817 PolarHBondContact O-N 3.41Å |
| 815 | A | 76.6 | Confident | 77.8 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -25.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C589 W619 A811 L812 K813 | C589-A815 WeakPolarHBondContact CB-O 3.19Å; C589-A815 PolarHBondContact N-O 3.26Å; W619-A815 HydrophobicContact CE3-CB 3.39Å; W619-A815 HydrophobicContact CH2-CB 4.48Å; W619-A815 HydrophobicContact CZ3-CB 3.26Å; A811-A815 WeakPolarHBondContact O-CB 2.98Å; A811-A815 PolarHBondContact O-N 3.1Å; A811-A815 VanDerWaalsContact O-N 3.11Å; L812-A815 PolarHBondContact O-N 2.95Å; K813-A815 VanDerWaalsContact C-N 3.33Å; K813-A815 PolarHBondContact O-N 3.08Å |
| 816 | N | 84.9 | Confident | 79.5 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -96.5 | -5.9 | 178.9 | -66.3 | -12.9 | 0 | 0 | 0 | 112.7 | N584 V585 P586 G587 V588 L812 K813 A814 | N584-N816 CarbonylContact C-O 3.45Å; N584-N816 VanDerWaalsContact CA-O 3.26Å; N584-N816 WeakPolarHBondContact CA-O 3.23Å; V585-N816 PolarHBondContact N-O 3.36Å; V585-N816 WeakPolarHBondContact O-CA 3.48Å; P586-N816 WeakPolarHBondContact CA-OD1 3.2Å; G587-N816 PolarHBondContact N-OD1 2.83Å; V588-N816 VanDerWaalsContact CG1-O 3.3Å; V588-N816 WeakPolarHBondContact CG1-O 3.24Å; L812-N816 PolarHBondContact O-N 2.89Å; K813-N816 PolarHBondContact O-N 3.37Å; A814-N816 VanDerWaalsContact C-N 3.26Å; A814-N816 PolarHBondContact O-N 3.1Å |
| 817 | T | 83.9 | Confident | 80.9 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.5 | -173.7 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | T582 V583 C589 K813 A814 | T582-T817 HydrophobicContact CG2-CG2 3.79Å; V583-T817 WeakPolarHBondContact O-CA 3.5Å; C589-T817 PolarHBondContact SG-O 3.44Å; C589-T817 VanDerWaalsContact SG-O 3.39Å; K813-T817 WeakPolarHBondContact O-CB 3.39Å; K813-T817 PolarHBondContact O-N 3.07Å; K813-T817 VanDerWaalsContact O-N 3.17Å; K813-T817 PolarHBondContact O-OG1 3.35Å; A814-T817 PolarHBondContact O-N 3.41Å |
| 818 | L | 87.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.9 | 174.4 | 166.9 | 57.4 | 0 | 0 | 0 | 110.3 | T582 V583 V588 L592 L820 F837 | T582-L818 CarbonylContact C-O 3.55Å; T582-L818 WeakPolarHBondContact CA-O 3.45Å; V583-L818 HydrophobicContact CB-CB 4.42Å; V583-L818 PolarHBondContact N-O 3.23Å; V583-L818 PolarHBondContact O-N 3.38Å; V588-L818 HydrophobicContact CG1-CB 3.8Å; V588-L818 HydrophobicContact CG2-CB 4.04Å; V588-L818 HydrophobicContact CG2-CD2 3.74Å; L592-L818 HydrophobicContact CD1-CD1 3.71Å; L592-L818 HydrophobicContact CD1-CD2 4.12Å; L592-L818 HydrophobicContact CD1-CG 4.44Å; L592-L818 HydrophobicContact CD2-CD1 4.31Å; L592-L818 HydrophobicContact CD2-CD2 3.79Å; L592-L818 HydrophobicContact CG-CD2 4.16Å; L818-L820 HydrophobicContact CD1-CD2 3.97Å; L818-L820 HydrophobicContact CD2-CD2 3.94Å; L818-L820 HydrophobicContact CG-CD2 3.9Å; L818-L820 HydrophobicContact CG-CG 4.35Å; L818-F837 HydrophobicContact CD2-CE1 4.05Å; L818-F837 HydrophobicContact CD2-CZ 3.93Å |
| 819 | Q | 88.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.9 | 169.6 | -66.1 | -179.2 | -12.7 | 0 | 0 | 111 | I580 T582 K615 | I580-Q819 HydrophobicContact CG2-CB 4.1Å; I580-Q819 HydrophobicContact CG2-CG 4.29Å; T582-Q819 HydrophobicContact CG2-CG 4.46Å; K615-Q819 HydrophobicContact CB-CB 4.38Å; K615-Q819 PolarHBondContact N-O 3Å; K615-Q819 PolarHBondContact O-N 3.38Å |
| 820 | L | 89.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.1 | 171.4 | -51.9 | 177.6 | 0 | 0 | 0 | 108.3 | I580 I581 L601 I612 L614 L818 V822 F837 | I580-L820 CarbonylContact C-O 3.56Å; I580-L820 WeakPolarHBondContact CA-O 3.34Å; I581-L820 HydrophobicContact CB-CB 4.27Å; I581-L820 PolarHBondContact N-O 3.48Å; I581-L820 PolarHBondContact O-N 3.3Å; L601-L820 HydrophobicContact CD2-CD2 4.34Å; I612-L820 HydrophobicContact CG2-CB 4.11Å; I612-L820 HydrophobicContact CG2-CD2 3.97Å; I612-L820 HydrophobicContact CG2-CG 4.47Å; L614-L820 HydrophobicContact CD2-CD2 3.34Å; L818-L820 HydrophobicContact CD1-CD2 3.97Å; L818-L820 HydrophobicContact CD2-CD2 3.94Å; L818-L820 HydrophobicContact CG-CD2 3.9Å; L818-L820 HydrophobicContact CG-CG 4.35Å; L820-V822 HydrophobicContact CB-CG2 3.9Å; L820-V822 PolarHBondContact O-N 3.3Å; L820-F837 HydrophobicContact CD1-CD1 3.9Å; L820-F837 HydrophobicContact CD1-CD2 4.3Å; L820-F837 HydrophobicContact CD1-CE1 4.07Å; L820-F837 HydrophobicContact CD1-CE2 4.48Å; L820-F837 HydrophobicContact CD1-CG 4.01Å; L820-F837 HydrophobicContact CD1-CZ 4.36Å |
| 821 | H | 90.4 | Very high | 84.2 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 105.2 | 164.3 | -100.4 | -115.3 | 0 | 0 | 0 | 107.6 | E519 I580 S613 K615 F823 | E519-H821 IonicContact OE1-CE1 2.66Å; E519-H821 PolarHBondContact OE1-CE1 3.29Å; E519-H821 VanDerWaalsContact OE1-CE1 3.28Å; E519-H821 IonicContact OE1-ND1 3.83Å; E519-H821 PolarHBondContact OE1-ND1 3.41Å; E519-H821 VanDerWaalsContact OE1-ND1 3.1Å; E519-H821 IonicContact OE2-CE1 2.8Å; E519-H821 IonicContact OE2-ND1 3.52Å; E519-H821 PolarHBondContact OE2-ND1 2.85Å; I580-H821 WeakPolarHBondContact CD1-NE2 3.2Å; S613-H821 PolarHBondContact N-O 3.31Å; S613-H821 PolarHBondContact O-N 3.48Å; K615-H821 PolarHBondContact NZ-CD2 3.33Å; K615-H821 PolarHBondContact NZ-CE1 3.38Å; K615-H821 PolarHBondContact NZ-ND1 3.03Å; K615-H821 PolarHBondContact NZ-NE2 2.81Å; H821-F823 HydrophobicContact CB-CE2 3.94Å; H821-F823 HydrophobicContact CB-CZ 4.28Å; H821-F823 WeakPolarHBondContact O-CE2 3.49Å |
| 822 | V | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.5 | -177.9 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | T578 R579 I581 V610 Y611 I612 L820 L830 V833 | T578-V822 WeakPolarHBondContact CA-O 3.37Å; R579-V822 PolarHBondContact N-O 2.94Å; R579-V822 PolarHBondContact O-N 2.95Å; I581-V822 HydrophobicContact CD1-CB 4.29Å; I581-V822 HydrophobicContact CD1-CG2 3.75Å; V610-V822 HydrophobicContact CB-CG1 3.95Å; V610-V822 HydrophobicContact CG1-CG1 4.3Å; V610-V822 HydrophobicContact CG2-CG1 4.14Å; Y611-V822 WeakPolarHBondContact O-CA 3.05Å; I612-V822 HydrophobicContact CG1-CG1 4.21Å; I612-V822 HydrophobicContact CG1-CG2 4.05Å; I612-V822 HydrophobicContact CG2-CG2 4.19Å; L820-V822 HydrophobicContact CB-CG2 3.9Å; L820-V822 PolarHBondContact O-N 3.3Å; V822-L830 HydrophobicContact CB-CD2 3.95Å; V822-L830 HydrophobicContact CG1-CD2 3.67Å; V822-L830 WeakPolarHBondContact O-CD2 3.43Å; V822-V833 HydrophobicContact CG1-CG1 4.29Å; V822-V833 HydrophobicContact CG2-CG1 4.22Å |
| 823 | F | 91.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.2 | 180 | -54.1 | -97.8 | 0 | 0 | 0 | 108.7 | E519 M522 Y525 V576 T578 V610 Y611 H821 | E519-F823 HydrophobicContact CG-CZ 4.36Å; E519-F823 WeakPolarHBondContact OE2-CE1 3.45Å; E519-F823 VanDerWaalsContact OE2-CZ 3.3Å; E519-F823 WeakPolarHBondContact OE2-CZ 3.5Å; M522-F823 HydrophobicContact CB-CD1 4.35Å; M522-F823 HydrophobicContact CB-CE1 4.27Å; M522-F823 HydrophobicContact CE-CD1 4.1Å; M522-F823 HydrophobicContact SD-CD1 4.38Å; Y525-F823 HydrophobicContact CD2-CB 3.91Å; Y525-F823 VanDerWaalsContact CD2-O 3.31Å; Y525-F823 WeakPolarHBondContact CD2-O 3.47Å; Y525-F823 WeakPolarHBondContact CE2-O 3.22Å; Y525-F823 HydrophobicContact CG-CB 3.98Å; V576-F823 HydrophobicContact CG1-CB 4.15Å; T578-F823 HydrophobicContact CG2-CD1 3.82Å; T578-F823 HydrophobicContact CG2-CE1 3.56Å; T578-F823 HydrophobicContact CG2-CZ 4.09Å; T578-F823 VanDerWaalsContact OG1-CD1 3.3Å; T578-F823 WeakPolarHBondContact OG1-CD1 3.14Å; V610-F823 WeakPolarHBondContact CA-O 3.29Å; V610-F823 WeakPolarHBondContact CB-O 3.39Å; Y611-F823 AromaticContact CD1-CD2 3.92Å; Y611-F823 HydrophobicContact CD1-CD2 3.92Å; Y611-F823 HydrophobicContact CD1-CE2 4.38Å; Y611-F823 PolarHBondContact N-O 3.45Å; Y611-F823 PolarHBondContact O-N 2.96Å; H821-F823 HydrophobicContact CB-CE2 3.94Å; H821-F823 HydrophobicContact CB-CZ 4.28Å; H821-F823 WeakPolarHBondContact O-CE2 3.49Å |
| 824 | A | 90.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 152.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112 | C577 V610 Y826 D829 L830 | C577-A824 PolarHBondContact N-O 3.27Å; C577-A824 PolarHBondContact O-N 2.97Å; V610-A824 HydrophobicContact CB-CB 4.5Å; V610-A824 HydrophobicContact CG1-CB 3.65Å; A824-Y826 PolarHBondContact O-N 2.83Å; A824-D829 HydrophobicContact CB-CB 4.38Å; A824-L830 HydrophobicContact CB-CD2 3.54Å; A824-L830 HydrophobicContact CB-CG 3.92Å |
| 825 | G | 85.3 | Confident | 86.7 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 32% | 0.32 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -68 | -21.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y525 | Y525-G825 PolarHBondContact OH-N 2.88Š|
| 826 | Y | 84.8 | Confident | 87.2 | Confident | 167 Ų | 167 | 37.2 Ų | 37.2 | 66% | 0.655 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -133.8 | 142.7 | -178.6 | -57.3 | -74.3 | 0 | 0 | 0 | 112.3 | A824 C828 D829 | A824-Y826 PolarHBondContact O-N 2.83Å; Y826-C828 VanDerWaalsContact C-N 3.28Å; Y826-C828 PolarHBondContact O-N 2.72Å; Y826-D829 PolarHBondContact O-N 2.67Å |
| 827 | S | 84.4 | Confident | 87.5 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -64.6 | -29.4 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | D829 L830 I831 | S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 2.63Å; S827-L830 WeakPolarHBondContact O-CB 3.38Å; S827-L830 PolarHBondContact O-N 3.28Å; S827-I831 PolarHBondContact O-N 3.16Å |
| 828 | C | 82.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 35.9 Ų | 35.9 | 22% | 0.216 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -33.9 | 177.5 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | Y826 I831 R832 | Y826-C828 VanDerWaalsContact C-N 3.28Å; Y826-C828 PolarHBondContact O-N 2.72Å; C828-I831 PolarHBondContact O-N 2.92Å; C828-R832 WeakPolarHBondContact O-CG 3.47Å; C828-R832 PolarHBondContact O-N 3.43Å |
| 829 | D | 86.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.8 | -31.9 | 179.1 | -68.1 | -55.8 | 0 | 0 | 0 | 112.5 | F608 V610 A824 Y826 S827 I831 R832 V833 | F608-D829 HydrophobicContact CB-CB 4.42Å; V610-D829 HydrophobicContact CG1-CB 4.27Å; A824-D829 HydrophobicContact CB-CB 4.38Å; Y826-D829 PolarHBondContact O-N 2.67Å; S827-D829 VanDerWaalsContact C-N 3.32Å; S827-D829 PolarHBondContact O-N 2.63Å; D829-I831 PolarHBondContact O-N 3.01Å; D829-R832 PolarHBondContact O-N 3.35Å; D829-R832 WeakPolarHBondContact OD1-CD 3.29Å; D829-R832 IonicContact OD1-CZ 3.21Å; D829-R832 IonicContact OD1-NE 2.73Å; D829-R832 IonicContact OD1-NH1 3.78Å; D829-R832 PolarHBondContact OD1-NH1 2.82Å; D829-R832 IonicContact OD2-NH1 2.92Å; D829-V833 WeakPolarHBondContact O-CB 3.44Å; D829-V833 VanDerWaalsContact O-CG2 3.22Å; D829-V833 WeakPolarHBondContact O-CG2 3.39Å; D829-V833 PolarHBondContact O-N 2.8Å |
| 830 | L | 87.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -32.8 | 168.8 | -57.5 | 177 | 0 | 0 | 0 | 112.3 | C577 R579 V822 A824 S827 D834 | C577-L830 HydrophobicContact CB-CD1 3.54Å; C577-L830 HydrophobicContact CB-CG 4.46Å; R579-L830 HydrophobicContact CB-CB 4.35Å; R579-L830 HydrophobicContact CB-CD1 3.83Å; R579-L830 HydrophobicContact CB-CG 4.49Å; R579-L830 PolarHBondContact NH2-O 2.86Å; V822-L830 HydrophobicContact CB-CD2 3.95Å; V822-L830 HydrophobicContact CG1-CD2 3.67Å; V822-L830 WeakPolarHBondContact O-CD2 3.43Å; A824-L830 HydrophobicContact CB-CD2 3.54Å; A824-L830 HydrophobicContact CB-CG 3.92Å; S827-L830 WeakPolarHBondContact O-CB 3.38Å; S827-L830 PolarHBondContact O-N 3.28Å; L830-D834 WeakPolarHBondContact O-CB 3.43Å; L830-D834 PolarHBondContact O-N 2.8Å |
| 831 | I | 84.8 | Confident | 87.5 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 28% | 0.282 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -79.2 | -39.7 | 176.9 | -59.1 | 168.9 | 0 | 0 | 0 | 110.7 | L105 S827 C828 D829 D834 I835 | L105-I831 HydrophobicContact CD2-CG2 3.47Å; L105-I831 VanDerWaalsContact CD2-CG2 3.47Å; S827-I831 PolarHBondContact O-N 3.16Å; C828-I831 PolarHBondContact O-N 2.92Å; D829-I831 PolarHBondContact O-N 3.01Å; I831-D834 PolarHBondContact O-N 2.96Å; I831-I835 HydrophobicContact CG2-CD1 3.86Å; I831-I835 WeakPolarHBondContact O-CG1 3.39Å; I831-I835 PolarHBondContact O-N 2.81Å; I831-I835 VanDerWaalsContact O-N 3.08Å |
| 832 | R | 86.6 | Confident | 87.4 | Confident | 108 Ų | 108 | 42.8 Ų | 42.8 | 41% | 0.408 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.9 | -70.8 | 161.2 | 174.4 | 163.5 | 3.9 | 112.2 | F608 C828 D829 A836 | F608-R832 HydrophobicContact CD1-CB 4.02Å; F608-R832 HydrophobicContact CE1-CB 3.67Å; F608-R832 HydrophobicContact CE1-CG 4.3Å; F608-R832 HydrophobicContact CZ-CB 3.96Å; C828-R832 WeakPolarHBondContact O-CG 3.47Å; C828-R832 PolarHBondContact O-N 3.43Å; D829-R832 PolarHBondContact O-N 3.35Å; D829-R832 WeakPolarHBondContact OD1-CD 3.29Å; D829-R832 IonicContact OD1-CZ 3.21Å; D829-R832 IonicContact OD1-NE 2.73Å; D829-R832 IonicContact OD1-NH1 3.78Å; D829-R832 PolarHBondContact OD1-NH1 2.82Å; D829-R832 IonicContact OD2-NH1 2.92Å; R832-A836 WeakPolarHBondContact O-CB 3.39Å; R832-A836 PolarHBondContact O-N 3.41Å |
| 833 | V | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | 177.5 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | I581 M604 F608 V610 I612 V822 D829 A836 F837 | I581-V833 HydrophobicContact CD1-CG1 4.23Å; M604-V833 HydrophobicContact SD-CG1 4.5Å; F608-V833 HydrophobicContact CB-CG2 4.06Å; F608-V833 HydrophobicContact CD2-CG2 3.63Å; F608-V833 HydrophobicContact CE2-CG2 4.37Å; F608-V833 HydrophobicContact CG-CG2 4.08Å; V610-V833 HydrophobicContact CB-CG2 4.49Å; V610-V833 HydrophobicContact CG1-CG2 4Å; V610-V833 HydrophobicContact CG2-CG2 3.8Å; I612-V833 HydrophobicContact CD1-CG1 4.08Å; V822-V833 HydrophobicContact CG1-CG1 4.29Å; V822-V833 HydrophobicContact CG2-CG1 4.22Å; D829-V833 WeakPolarHBondContact O-CB 3.44Å; D829-V833 VanDerWaalsContact O-CG2 3.22Å; D829-V833 WeakPolarHBondContact O-CG2 3.39Å; D829-V833 PolarHBondContact O-N 2.8Å; V833-A836 PolarHBondContact O-N 2.96Å; V833-F837 VanDerWaalsContact O-CB 3.25Å; V833-F837 WeakPolarHBondContact O-CB 3.46Å; V833-F837 PolarHBondContact O-N 3.32Å |
| 834 | D | 87.6 | Confident | 86.9 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -55.4 | 176.3 | 174.3 | 4.9 | 0 | 0 | 0 | 112 | R579 I581 L830 I831 A836 F837 N838 | R579-D834 IonicContact CZ-OD2 2.88Å; R579-D834 IonicContact NH1-OD2 2.69Å; R579-D834 PolarHBondContact NH1-OD2 3.03Å; R579-D834 IonicContact NH2-OD2 3.3Å; R579-D834 PolarHBondContact NH2-OD2 3.02Å; I581-D834 HydrophobicContact CD1-CB 3.72Å; I581-D834 HydrophobicContact CG1-CB 4Å; I581-D834 HydrophobicContact CG2-CB 4.02Å; L830-D834 WeakPolarHBondContact O-CB 3.43Å; L830-D834 PolarHBondContact O-N 2.8Å; I831-D834 PolarHBondContact O-N 2.96Å; D834-A836 PolarHBondContact O-N 2.9Å; D834-F837 PolarHBondContact O-N 3.01Å; D834-N838 VanDerWaalsContact O-CB 3.32Å; D834-N838 WeakPolarHBondContact O-CB 3.37Å; D834-N838 PolarHBondContact O-N 3.18Å; D834-N838 PolarHBondContact O-ND2 3.45Å; D834-N838 PolarHBondContact OD1-ND2 2.92Å |
| 835 | I | 85.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | -178.7 | -68.1 | 171.1 | 0 | 0 | 0 | 111 | L105 I831 K839 | L105-I835 HydrophobicContact CD1-CD1 3.77Å; L105-I835 HydrophobicContact CD2-CD1 3.76Å; L105-I835 HydrophobicContact CG-CD1 4Å; I831-I835 HydrophobicContact CG2-CD1 3.86Å; I831-I835 WeakPolarHBondContact O-CG1 3.39Å; I831-I835 PolarHBondContact O-N 2.81Å; I831-I835 VanDerWaalsContact O-N 3.08Å; I835-K839 WeakPolarHBondContact O-CB 3.38Å; I835-K839 PolarHBondContact O-N 3.43Å |
| 836 | A | 87.8 | Confident | 87 | Confident | 23 Ų | 23 | 55 Ų | 55 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M604 F608 R832 V833 D834 K840 | M604-A836 HydrophobicContact CE-CB 4.04Å; F608-A836 HydrophobicContact CE2-CB 4.05Å; F608-A836 HydrophobicContact CZ-CB 4.26Å; R832-A836 WeakPolarHBondContact O-CB 3.39Å; R832-A836 PolarHBondContact O-N 3.41Å; V833-A836 PolarHBondContact O-N 2.96Å; D834-A836 PolarHBondContact O-N 2.9Å; A836-K840 WeakPolarHBondContact O-CB 3.35Å; A836-K840 WeakPolarHBondContact O-CG 3.02Å; A836-K840 PolarHBondContact O-N 3.28Å |
| 837 | F | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -52.1 | 178.7 | -169.1 | -93.8 | 0 | 0 | 0 | 111.1 | V583 I600 L601 M604 L818 L820 V833 D834 K839 K840 V841 | V583-F837 HydrophobicContact CB-CE1 4.43Å; V583-F837 HydrophobicContact CG1-CE1 4.26Å; V583-F837 HydrophobicContact CG2-CD1 3.79Å; V583-F837 HydrophobicContact CG2-CE1 3.89Å; I600-F837 HydrophobicContact CG2-CD2 4.17Å; I600-F837 HydrophobicContact CG2-CE2 4.35Å; L601-F837 HydrophobicContact CD2-CD2 3.98Å; L601-F837 HydrophobicContact CD2-CE2 3.57Å; L601-F837 HydrophobicContact CD2-CZ 4.44Å; L601-F837 HydrophobicContact CG-CE2 4.1Å; M604-F837 HydrophobicContact CE-CB 3.96Å; M604-F837 HydrophobicContact CE-CD2 4.08Å; M604-F837 HydrophobicContact CE-CG 4.5Å; M604-F837 HydrophobicContact SD-CB 3.79Å; M604-F837 HydrophobicContact SD-CD2 3.82Å; M604-F837 HydrophobicContact SD-CG 4.31Å; L818-F837 HydrophobicContact CD2-CE1 4.05Å; L818-F837 HydrophobicContact CD2-CZ 3.93Å; L820-F837 HydrophobicContact CD1-CD1 3.9Å; L820-F837 HydrophobicContact CD1-CD2 4.3Å; L820-F837 HydrophobicContact CD1-CE1 4.07Å; L820-F837 HydrophobicContact CD1-CE2 4.48Å; L820-F837 HydrophobicContact CD1-CG 4.01Å; L820-F837 HydrophobicContact CD1-CZ 4.36Å; V833-F837 VanDerWaalsContact O-CB 3.25Å; V833-F837 WeakPolarHBondContact O-CB 3.46Å; V833-F837 PolarHBondContact O-N 3.32Å; D834-F837 PolarHBondContact O-N 3.01Å; F837-K839 VanDerWaalsContact C-N 3.27Å; F837-K839 PolarHBondContact O-N 2.92Å; F837-K840 PolarHBondContact O-N 2.79Å; F837-K840 VanDerWaalsContact O-N 3.16Å; F837-V841 HydrophobicContact CD1-CG2 3.9Å; F837-V841 HydrophobicContact CE1-CG2 3.56Å; F837-V841 HydrophobicContact CE2-CG2 4.33Å; F837-V841 HydrophobicContact CG-CG2 4.44Å; F837-V841 HydrophobicContact CZ-CG2 3.79Å; F837-V841 WeakPolarHBondContact O-CB 3.42Å; F837-V841 WeakPolarHBondContact O-CG2 3.38Å; F837-V841 PolarHBondContact O-N 3.06Å |
| 838 | N | 87 | Confident | 87.5 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -38.9 | 175.1 | -84.4 | -60.3 | 0 | 0 | 0 | 111.7 | D834 N842 | D834-N838 VanDerWaalsContact O-CB 3.32Å; D834-N838 WeakPolarHBondContact O-CB 3.37Å; D834-N838 PolarHBondContact O-N 3.18Å; D834-N838 PolarHBondContact O-ND2 3.45Å; D834-N838 PolarHBondContact OD1-ND2 2.92Å; N838-N842 VanDerWaalsContact O-CB 3.23Å; N838-N842 WeakPolarHBondContact O-CB 3.43Å; N838-N842 VanDerWaalsContact O-CG 3.26Å; N838-N842 PolarHBondContact O-N 3.45Å; N838-N842 PolarHBondContact O-ND2 3.13Å |
| 839 | K | 87.4 | Confident | 87.9 | Confident | 122 Ų | 122 | 56.3 Ų | 56.3 | 53% | 0.53 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.2 | -170.1 | 165.7 | -172.2 | 166.1 | 0 | 112.3 | I835 F837 Q843 | I835-K839 WeakPolarHBondContact O-CB 3.38Å; I835-K839 PolarHBondContact O-N 3.43Å; F837-K839 VanDerWaalsContact C-N 3.27Å; F837-K839 PolarHBondContact O-N 2.92Å; K839-Q843 WeakPolarHBondContact O-CB 3.35Å; K839-Q843 WeakPolarHBondContact O-CG 3.35Å; K839-Q843 PolarHBondContact O-N 2.78Å |
| 840 | K | 87.2 | Confident | 88 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 16% | 0.161 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 179 | -77.1 | -176.7 | -175.2 | 175.8 | 0 | 113.8 | I600 E603 M604 A836 F837 R844 | I600-K840 HydrophobicContact CG1-CD 4.24Å; I600-K840 HydrophobicContact CG2-CB 4.34Å; I600-K840 HydrophobicContact CG2-CD 3.75Å; E603-K840 IonicContact OE1-NZ 3.27Å; E603-K840 PolarHBondContact OE1-NZ 3.15Å; E603-K840 IonicContact OE2-NZ 3.79Å; E603-K840 PolarHBondContact OE2-NZ 3.15Å; M604-K840 HydrophobicContact CE-CD 3.75Å; A836-K840 WeakPolarHBondContact O-CB 3.35Å; A836-K840 WeakPolarHBondContact O-CG 3.02Å; A836-K840 PolarHBondContact O-N 3.28Å; F837-K840 PolarHBondContact O-N 2.79Å; F837-K840 VanDerWaalsContact O-N 3.16Å; K840-R844 PolarHBondContact O-NH1 2.82Å |
| 841 | V | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.1 | -50 | 175.6 | 168 | 0 | 0 | 0 | 0 | 110.4 | V585 F591 F837 Q843 R844 Q845 F889 | V585-V841 HydrophobicContact CB-CG1 4.19Å; V585-V841 HydrophobicContact CG1-CG1 3.85Å; V585-V841 HydrophobicContact CG2-CG1 4.12Å; F591-V841 HydrophobicContact CE1-CG2 4.49Å; F837-V841 HydrophobicContact CD1-CG2 3.9Å; F837-V841 HydrophobicContact CE1-CG2 3.56Å; F837-V841 HydrophobicContact CE2-CG2 4.33Å; F837-V841 HydrophobicContact CG-CG2 4.44Å; F837-V841 HydrophobicContact CZ-CG2 3.79Å; F837-V841 WeakPolarHBondContact O-CB 3.42Å; F837-V841 WeakPolarHBondContact O-CG2 3.38Å; F837-V841 PolarHBondContact O-N 3.06Å; V841-Q843 VanDerWaalsContact C-N 3.27Å; V841-Q843 PolarHBondContact O-N 3.42Å; V841-R844 PolarHBondContact O-N 2.82Å; V841-Q845 PolarHBondContact O-N 3.09Å; V841-F889 HydrophobicContact CG1-CZ 4.08Å |
| 842 | N | 86.4 | Confident | 87.5 | Confident | 85 Ų | 85 | 63 Ų | 63 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -28.4 | -179.8 | -70.4 | -45.5 | 0 | 0 | 0 | 112.9 | N838 R844 Q845 | N838-N842 VanDerWaalsContact O-CB 3.23Å; N838-N842 WeakPolarHBondContact O-CB 3.43Å; N838-N842 VanDerWaalsContact O-CG 3.26Å; N838-N842 PolarHBondContact O-N 3.45Å; N838-N842 PolarHBondContact O-ND2 3.13Å; N842-R844 PolarHBondContact O-N 3.26Å; N842-Q845 PolarHBondContact O-N 2.87Å |
| 843 | Q | 86.6 | Confident | 87 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.2 | 170.2 | -81.6 | 173.4 | -13.6 | 0 | 0 | 114.7 | K839 V841 | K839-Q843 WeakPolarHBondContact O-CB 3.35Å; K839-Q843 WeakPolarHBondContact O-CG 3.35Å; K839-Q843 PolarHBondContact O-N 2.78Å; V841-Q843 VanDerWaalsContact C-N 3.27Å; V841-Q843 PolarHBondContact O-N 3.42Å |
| 844 | R | 86.1 | Confident | 86 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 25% | 0.249 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -7.4 | 179.3 | -68.6 | 170.4 | 173.1 | 67.2 | 5.4 | 113.3 | E596 K840 V841 N842 F889 | E596-R844 IonicContact OE1-CZ 2.87Å; E596-R844 VanDerWaalsContact OE1-CZ 3.27Å; E596-R844 IonicContact OE1-NE 3.09Å; E596-R844 PolarHBondContact OE1-NE 2.96Å; E596-R844 IonicContact OE1-NH2 3.43Å; E596-R844 PolarHBondContact OE1-NH2 2.86Å; E596-R844 IonicContact OE2-CZ 2.84Å; E596-R844 IonicContact OE2-NE 3.68Å; E596-R844 PolarHBondContact OE2-NE 2.93Å; K840-R844 PolarHBondContact O-NH1 2.82Å; V841-R844 PolarHBondContact O-N 2.82Å; N842-R844 PolarHBondContact O-N 3.26Å; R844-F889 HydrophobicContact CB-CD1 3.86Å; R844-F889 HydrophobicContact CB-CE1 3.95Å |
| 845 | Q | 89.3 | Confident | 85.3 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 137.1 | 172.5 | -70.4 | -74.6 | -56.3 | 0 | 0 | 110 | V585 P586 V841 N842 G888 F889 | V585-Q845 HydrophobicContact CG1-CG 3.53Å; V585-Q845 VanDerWaalsContact CG1-NE2 3.33Å; P586-Q845 PolarHBondContact O-NE2 2.83Å; V841-Q845 PolarHBondContact O-N 3.09Å; N842-Q845 PolarHBondContact O-N 2.87Å; Q845-G888 WeakPolarHBondContact CA-O 3.38Å; Q845-G888 VanDerWaalsContact OE1-CA 3.23Å; Q845-F889 VanDerWaalsContact NE2-CD2 3.26Å |
| 846 | V | 89.3 | Confident | 84.4 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.5 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | E848 S887 G888 K890 | V846-E848 HydrophobicContact CG1-CG 4.24Å; V846-S887 WeakPolarHBondContact O-CA 3.39Å; V846-G888 PolarHBondContact N-O 2.9Å; V846-G888 PolarHBondContact O-N 2.92Å; V846-G888 VanDerWaalsContact O-N 3.14Å; V846-K890 HydrophobicContact CG2-CB 3.89Å; V846-K890 HydrophobicContact CG2-CG 4.29Å |
| 847 | E | 90.9 | Very high | 83.4 | Confident | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.7 | 169.8 | -174.2 | -175.3 | 161.4 | 0 | 0 | 108.4 | K849 A885 V886 | E847-K849 WeakPolarHBondContact OE1-CE 2.97Å; E847-K849 IonicContact OE1-NZ 2.71Å; E847-K849 PolarHBondContact OE1-NZ 3.45Å; E847-A885 HydrophobicContact CG-CB 4.41Å; E847-V886 WeakPolarHBondContact CA-O 3.3Å |
| 848 | E | 90.3 | Very high | 82.4 | Confident | 78 Ų | 78 | 78.2 Ų | 78.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.1 | 175 | -87.7 | -172.2 | -129.4 | 0 | 0 | 110.1 | V846 V886 V893 I897 | V846-E848 HydrophobicContact CG1-CG 4.24Å; E848-V886 PolarHBondContact N-O 3.46Å; E848-V886 PolarHBondContact O-N 2.8Å; E848-V893 HydrophobicContact CB-CG1 3.91Å; E848-V893 HydrophobicContact CG-CG1 4.27Å; E848-I897 HydrophobicContact CB-CD1 3.41Å; E848-I897 VanDerWaalsContact CB-CD1 3.41Å; E848-I897 HydrophobicContact CG-CD1 4.17Å; E848-I897 VanDerWaalsContact OE2-CD1 3.29Å; E848-I897 WeakPolarHBondContact OE2-CD1 3.33Å |
| 849 | K | 90.7 | Very high | 81.7 | Confident | 120 Ų | 120 | 79 Ų | 79 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.5 | -173.1 | -62.1 | -168.9 | -173.5 | -153.3 | 0 | 111 | E847 I883 A885 | E847-K849 WeakPolarHBondContact OE1-CE 2.97Å; E847-K849 IonicContact OE1-NZ 2.71Å; E847-K849 PolarHBondContact OE1-NZ 3.45Å; K849-I883 HydrophobicContact CB-CG2 3.85Å; K849-I883 HydrophobicContact CD-CG2 4.23Å; K849-I883 HydrophobicContact CG-CG2 4.26Å; K849-A885 HydrophobicContact CG-CB 4.21Å |
| 850 | V | 87.8 | Confident | 80.9 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 101 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 108 | I884 I897 L904 | V850-I884 PolarHBondContact N-O 2.78Å; V850-I884 PolarHBondContact O-N 3.02Å; V850-I897 HydrophobicContact CG2-CG1 4.28Å; V850-I897 HydrophobicContact CG2-CG2 4.23Å; V850-L904 HydrophobicContact CG1-CD1 3.61Å |
| 851 | E | 84.1 | Confident | 80.2 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.4 | 169.4 | -173.8 | 176.6 | -172.2 | 0 | 0 | 109.9 | T882 I883 | E851-T882 WeakPolarHBondContact CA-O 3.43Å; E851-I883 HydrophobicContact CB-CG1 4.2Å; E851-I883 HydrophobicContact CG-CG1 4.15Å |
| 852 | H | 78.8 | Confident | 79.7 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | trans | -150.3 | 135.5 | 171.7 | -161.3 | -114 | 0 | 0 | 0 | 113.2 | T854 V855 T882 L904 | H852-T854 PolarHBondContact CE1-OG1 3Å; H852-T854 PolarHBondContact ND1-OG1 2.69Å; H852-T854 PolarHBondContact O-N 3.16Å; H852-T854 VanDerWaalsContact O-N 3.12Å; H852-V855 HydrophobicContact CB-CG2 4.24Å; H852-V855 WeakPolarHBondContact O-CB 3.23Å; H852-V855 VanDerWaalsContact O-CG2 3.25Å; H852-V855 WeakPolarHBondContact O-CG2 3.4Å; H852-V855 PolarHBondContact O-N 2.83Å; H852-V855 VanDerWaalsContact O-N 3.12Å; H852-T882 PolarHBondContact N-O 2.85Å; H852-L904 HydrophobicContact CB-CD1 3.88Å; H852-L904 HydrophobicContact CB-CD2 3.98Å; H852-L904 HydrophobicContact CB-CG 4.47Å | ||
| 853 | R | 75.2 | Confident | 79.4 | Confident | 198 Ų | 198 | 75.3 Ų | 75.3 | 75% | 0.747 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -58.8 | -27.7 | -176.6 | 59.7 | -176.3 | 174.2 | 175.3 | 0.2 | 114.3 | V855 | R853-V855 VanDerWaalsContact C-N 3.31Å; R853-V855 PolarHBondContact O-N 2.83Å |
| 854 | T | 68.8 | Low | 79.1 | Confident | 12 Ų | 12 | 70 Ų | 70 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -79 | -8.2 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | H852 K856 N857 | H852-T854 PolarHBondContact CE1-OG1 3Å; H852-T854 PolarHBondContact ND1-OG1 2.69Å; H852-T854 PolarHBondContact O-N 3.16Å; H852-T854 VanDerWaalsContact O-N 3.12Å; T854-K856 PolarHBondContact O-N 3.04Å; T854-N857 WeakPolarHBondContact O-CB 3.31Å; T854-N857 PolarHBondContact O-N 3.28Å |
| 855 | V | 73.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.3 | -31.6 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | H852 R853 N857 M858 V879 G881 I884 L904 | H852-V855 HydrophobicContact CB-CG2 4.24Å; H852-V855 WeakPolarHBondContact O-CB 3.23Å; H852-V855 VanDerWaalsContact O-CG2 3.25Å; H852-V855 WeakPolarHBondContact O-CG2 3.4Å; H852-V855 PolarHBondContact O-N 2.83Å; H852-V855 VanDerWaalsContact O-N 3.12Å; R853-V855 VanDerWaalsContact C-N 3.31Å; R853-V855 PolarHBondContact O-N 2.83Å; V855-N857 PolarHBondContact O-N 3.42Å; V855-N857 VanDerWaalsContact O-N 3.16Å; V855-M858 HydrophobicContact CG1-SD 3.96Å; V855-M858 WeakPolarHBondContact O-CB 3.48Å; V855-M858 WeakPolarHBondContact O-CG 3.19Å; V855-M858 PolarHBondContact O-N 2.98Å; V855-M858 VanDerWaalsContact O-N 3.15Å; V855-V879 HydrophobicContact CG1-CG1 3.5Å; V855-G881 WeakPolarHBondContact CG1-O 3.47Å; V855-I884 HydrophobicContact CG1-CG1 4.33Å; V855-I884 HydrophobicContact CG2-CD1 3.93Å; V855-I884 HydrophobicContact CG2-CG1 3.88Å; V855-L904 HydrophobicContact CG2-CD2 3.71Å |
| 856 | K | 65.8 | Low | 78.6 | Confident | 165 Ų | 165 | 65.3 Ų | 65.3 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -61 | -20.3 | 172.3 | -67.8 | -170.9 | 176.5 | -171.5 | 0 | 114.3 | T854 T882 | T854-K856 PolarHBondContact O-N 3.04Å; K856-T882 HydrophobicContact CD-CG2 4.19Å; K856-T882 HydrophobicContact CG-CG2 3.86Å |
| 857 | N | 66.9 | Low | 78.3 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -99.3 | 16 | -179.3 | -60 | 2.1 | 0 | 0 | 0 | 111.9 | T854 V855 T859 I907 | T854-N857 WeakPolarHBondContact O-CB 3.31Å; T854-N857 PolarHBondContact O-N 3.28Å; V855-N857 PolarHBondContact O-N 3.42Å; V855-N857 VanDerWaalsContact O-N 3.16Å; N857-T859 PolarHBondContact O-N 3.42Å; N857-I907 HydrophobicContact CB-CG2 4.42Å |
| 858 | M | 69.3 | Low | 77.9 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | trans | -67.6 | 105.6 | -179.2 | -85.7 | -179.4 | 42.4 | 0 | 0 | 112.6 | V855 H862 L866 V879 I907 | V855-M858 HydrophobicContact CG1-SD 3.96Å; V855-M858 WeakPolarHBondContact O-CB 3.48Å; V855-M858 WeakPolarHBondContact O-CG 3.19Å; V855-M858 PolarHBondContact O-N 2.98Å; V855-M858 VanDerWaalsContact O-N 3.15Å; M858-H862 HydrophobicContact CB-CB 4.34Å; M858-H862 HydrophobicContact CG-CB 4Å; M858-L866 HydrophobicContact CE-CD1 3.6Å; M858-L866 HydrophobicContact SD-CD1 4.14Å; M858-V879 HydrophobicContact CE-CG2 4.19Å; M858-V879 HydrophobicContact SD-CG1 4.36Å; M858-I907 HydrophobicContact CG-CD1 4.07Å | ||
| 859 | T | 71.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | trans | -65.6 | 165.2 | 164.6 | 69.8 | 0 | 0 | 0 | 0 | 112 | N857 Y861 H862 A863 | N857-T859 PolarHBondContact O-N 3.42Å; T859-Y861 PolarHBondContact O-N 3.1Å; T859-Y861 VanDerWaalsContact O-N 3.13Å; T859-Y861 PolarHBondContact OG1-N 2.79Å; T859-H862 PolarHBondContact N-CD2 3.15Å; T859-H862 PolarHBondContact O-N 2.95Å; T859-H862 PolarHBondContact OG1-CD2 2.79Å; T859-H862 PolarHBondContact OG1-NE2 2.8Å; T859-A863 PolarHBondContact O-N 3.03Å | ||
| 860 | N | 70.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.5 | -26 | 173.8 | -166 | -100.3 | 0 | 0 | 0 | 112.9 | L635 K638 K864 | L635-N860 WeakPolarHBondContact CD2-OD1 3.32Å; K638-N860 PolarHBondContact NZ-OD1 3.45Å; N860-K864 PolarHBondContact O-N 3.41Å; N860-K864 VanDerWaalsContact O-N 3.15Å |
| 861 | Y | 72.3 | Confident | 77.3 | Confident | 24 Ų | 24 | 54 Ų | 54 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 172.1 | 170.1 | -131.1 | 0 | 0 | 0 | 112.4 | F628 A631 W632 L635 T859 A863 K864 C865 M949 | F628-Y861 WeakPolarHBondContact CA-OH 3.47Å; F628-Y861 VanDerWaalsContact CB-OH 3.24Å; F628-Y861 WeakPolarHBondContact CB-OH 3.24Å; F628-Y861 WeakPolarHBondContact CD1-OH 3.42Å; F628-Y861 PolarHBondContact O-OH 3.31Å; A631-Y861 HydrophobicContact CB-CD2 4.21Å; A631-Y861 HydrophobicContact CB-CE2 3.87Å; W632-Y861 HydrophobicContact CB-CE2 4.41Å; W632-Y861 HydrophobicContact CE3-CD1 4.4Å; W632-Y861 HydrophobicContact CE3-CD2 4.03Å; W632-Y861 HydrophobicContact CE3-CE1 4.18Å; W632-Y861 AromaticContact CE3-CE2 3.78Å; W632-Y861 HydrophobicContact CE3-CE2 3.78Å; W632-Y861 HydrophobicContact CE3-CG 4.32Å; W632-Y861 AromaticContact CE3-CZ 3.85Å; W632-Y861 HydrophobicContact CZ3-CD1 4.24Å; W632-Y861 HydrophobicContact CZ3-CE1 4.25Å; W632-Y861 HydrophobicContact CZ3-CG 4.36Å; L635-Y861 HydrophobicContact CD1-CD2 3.53Å; L635-Y861 HydrophobicContact CD1-CG 4.1Å; T859-Y861 PolarHBondContact O-N 3.1Å; T859-Y861 VanDerWaalsContact O-N 3.13Å; T859-Y861 PolarHBondContact OG1-N 2.79Å; Y861-A863 VanDerWaalsContact C-N 3.3Å; Y861-A863 PolarHBondContact O-N 2.88Å; Y861-K864 PolarHBondContact O-N 3.25Å; Y861-K864 VanDerWaalsContact O-N 3.14Å; Y861-C865 WeakPolarHBondContact CE2-SG 3.47Å; Y861-C865 PolarHBondContact O-N 3.04Å; Y861-C865 PolarHBondContact O-SG 3.16Å; Y861-M949 VanDerWaalsContact OH-CE 3.3Å; Y861-M949 WeakPolarHBondContact OH-CE 3.42Å |
| 862 | H | 78.9 | Confident | 77.2 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.06 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -31.9 | 179.7 | -54.4 | -42.4 | 0 | 0 | 0 | 112.1 | M858 T859 C865 L866 L903 I907 | M858-H862 HydrophobicContact CB-CB 4.34Å; M858-H862 HydrophobicContact CG-CB 4Å; T859-H862 PolarHBondContact N-CD2 3.15Å; T859-H862 PolarHBondContact O-N 2.95Å; T859-H862 PolarHBondContact OG1-CD2 2.79Å; T859-H862 PolarHBondContact OG1-NE2 2.8Å; H862-C865 WeakPolarHBondContact O-CB 3.45Å; H862-C865 PolarHBondContact O-N 2.71Å; H862-L866 WeakPolarHBondContact O-CG 3.4Å; H862-L866 PolarHBondContact O-N 3.25Å; H862-L903 HydrophobicContact CB-CD1 4.23Å; H862-I907 HydrophobicContact CB-CD1 3.98Å; H862-I907 HydrophobicContact CB-CG1 4.37Å |
| 863 | A | 79.8 | Confident | 77.5 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T859 Y861 C865 L866 E867 | T859-A863 PolarHBondContact O-N 3.03Å; Y861-A863 VanDerWaalsContact C-N 3.3Å; Y861-A863 PolarHBondContact O-N 2.88Å; A863-C865 VanDerWaalsContact C-N 3.32Å; A863-C865 PolarHBondContact O-N 3.31Å; A863-L866 WeakPolarHBondContact O-CB 3.39Å; A863-L866 PolarHBondContact O-N 3.45Å; A863-L866 VanDerWaalsContact O-N 3.07Å; A863-E867 PolarHBondContact O-N 2.99Å |
| 864 | K | 80.1 | Confident | 78 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -30.6 | 176.9 | -146.6 | 71.3 | -179.3 | 169.2 | 0 | 112.7 | A631 M634 L635 D805 N860 Y861 E867 V868 | A631-K864 HydrophobicContact CB-CB 4.4Å; M634-K864 HydrophobicContact CB-CG 4.02Å; M634-K864 VanDerWaalsContact CE-CE 3.43Å; M634-K864 HydrophobicContact SD-CD 4.39Å; M634-K864 HydrophobicContact SD-CG 3.96Å; L635-K864 HydrophobicContact CD1-CB 4.29Å; D805-K864 IonicContact OD1-NZ 3.86Å; D805-K864 PolarHBondContact OD1-NZ 3.09Å; N860-K864 PolarHBondContact O-N 3.41Å; N860-K864 VanDerWaalsContact O-N 3.15Å; Y861-K864 PolarHBondContact O-N 3.25Å; Y861-K864 VanDerWaalsContact O-N 3.14Å; K864-E867 WeakPolarHBondContact CD-OE2 3.2Å; K864-E867 VanDerWaalsContact CE-OE2 3.32Å; K864-E867 WeakPolarHBondContact CE-OE2 3.25Å; K864-E867 IonicContact NZ-OE1 2.69Å; K864-E867 IonicContact NZ-OE2 3.64Å; K864-E867 PolarHBondContact NZ-OE2 2.72Å; K864-E867 PolarHBondContact O-N 3.29Å; K864-V868 WeakPolarHBondContact O-CG2 3.47Å; K864-V868 PolarHBondContact O-N 3.16Å |
| 865 | C | 81.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 168.3 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | I627 A631 Y861 H862 A863 V868 I869 L903 | I627-C865 HydrophobicContact CG2-CB 4.33Å; A631-C865 HydrophobicContact CB-CB 4.36Å; A631-C865 VanDerWaalsContact CB-SG 3.55Å; Y861-C865 WeakPolarHBondContact CE2-SG 3.47Å; Y861-C865 PolarHBondContact O-N 3.04Å; Y861-C865 PolarHBondContact O-SG 3.16Å; H862-C865 WeakPolarHBondContact O-CB 3.45Å; H862-C865 PolarHBondContact O-N 2.71Å; A863-C865 VanDerWaalsContact C-N 3.32Å; A863-C865 PolarHBondContact O-N 3.31Å; C865-V868 PolarHBondContact O-N 2.95Å; C865-I869 VanDerWaalsContact O-CG1 3.32Å; C865-I869 WeakPolarHBondContact O-CG1 3.47Å; C865-I869 PolarHBondContact O-N 3.03Å; C865-L903 HydrophobicContact CB-CD1 3.81Å; C865-L903 HydrophobicContact CB-CD2 3.91Å |
| 866 | L | 84.9 | Confident | 79.6 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 175.3 | -68.1 | 179.9 | 0 | 0 | 0 | 111.8 | M858 H862 A863 V868 I869 K870 V877 V879 I884 V900 L903 | M858-L866 HydrophobicContact CE-CD1 3.6Å; M858-L866 HydrophobicContact SD-CD1 4.14Å; H862-L866 WeakPolarHBondContact O-CG 3.4Å; H862-L866 PolarHBondContact O-N 3.25Å; A863-L866 WeakPolarHBondContact O-CB 3.39Å; A863-L866 PolarHBondContact O-N 3.45Å; A863-L866 VanDerWaalsContact O-N 3.07Å; L866-V868 PolarHBondContact O-N 2.91Å; L866-I869 HydrophobicContact CD2-CD1 4.3Å; L866-I869 WeakPolarHBondContact O-CB 3.47Å; L866-I869 PolarHBondContact O-N 3.49Å; L866-I869 VanDerWaalsContact O-N 3.15Å; L866-K870 WeakPolarHBondContact O-CG 3.43Å; L866-K870 PolarHBondContact O-N 2.94Å; L866-V877 HydrophobicContact CD1-CG1 4.41Å; L866-V877 HydrophobicContact CD2-CG1 4.2Å; L866-V879 HydrophobicContact CD1-CG2 3.61Å; L866-I884 HydrophobicContact CD1-CD1 4.46Å; L866-V900 HydrophobicContact CD2-CG2 4.1Å; L866-L903 HydrophobicContact CD2-CD2 3.5Å; L866-L903 HydrophobicContact CG-CD2 3.83Å |
| 867 | E | 82.3 | Confident | 80.7 | Confident | 64 Ų | 64 | 32.7 Ų | 32.7 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 172.2 | -74.6 | 176.8 | -131 | 0 | 0 | 112.5 | F808 A863 K864 I869 K870 R871 | F808-E867 HydrophobicContact CE1-CB 4.04Å; A863-E867 PolarHBondContact O-N 2.99Å; K864-E867 WeakPolarHBondContact CD-OE2 3.2Å; K864-E867 VanDerWaalsContact CE-OE2 3.32Å; K864-E867 WeakPolarHBondContact CE-OE2 3.25Å; K864-E867 IonicContact NZ-OE1 2.69Å; K864-E867 IonicContact NZ-OE2 3.64Å; K864-E867 PolarHBondContact NZ-OE2 2.72Å; K864-E867 PolarHBondContact O-N 3.29Å; E867-I869 VanDerWaalsContact C-N 3.33Å; E867-I869 PolarHBondContact O-N 2.88Å; E867-K870 WeakPolarHBondContact O-CB 3.48Å; E867-K870 PolarHBondContact O-N 3.42Å; E867-R871 PolarHBondContact O-N 3.19Å |
| 868 | V | 82.8 | Confident | 81.7 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -37 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | I627 A631 M634 K864 C865 L866 R871 K872 | I627-V868 HydrophobicContact CB-CG1 4.31Å; I627-V868 HydrophobicContact CG1-CG1 4.29Å; I627-V868 HydrophobicContact CG2-CB 4.23Å; I627-V868 HydrophobicContact CG2-CG1 3.96Å; A631-V868 HydrophobicContact CB-CG2 4.16Å; M634-V868 HydrophobicContact SD-CG2 4.05Å; K864-V868 WeakPolarHBondContact O-CG2 3.47Å; K864-V868 PolarHBondContact O-N 3.16Å; C865-V868 PolarHBondContact O-N 2.95Å; L866-V868 PolarHBondContact O-N 2.91Å; V868-R871 CarbonylContact O-C 3.5Å; V868-R871 PolarHBondContact O-N 3.17Å; V868-K872 WeakPolarHBondContact O-CB 3.49Å; V868-K872 PolarHBondContact O-N 3.46Å |
| 869 | I | 85.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.7 | -72.5 | 165.2 | 0 | 0 | 0 | 111.2 | I627 C865 L866 E867 K872 H873 A896 D899 V900 L903 | I627-I869 HydrophobicContact CD1-CG1 3.96Å; I627-I869 HydrophobicContact CG2-CD1 4.44Å; I627-I869 HydrophobicContact CG2-CG1 4.04Å; C865-I869 VanDerWaalsContact O-CG1 3.32Å; C865-I869 WeakPolarHBondContact O-CG1 3.47Å; C865-I869 PolarHBondContact O-N 3.03Å; L866-I869 HydrophobicContact CD2-CD1 4.3Å; L866-I869 WeakPolarHBondContact O-CB 3.47Å; L866-I869 PolarHBondContact O-N 3.49Å; L866-I869 VanDerWaalsContact O-N 3.15Å; E867-I869 VanDerWaalsContact C-N 3.33Å; E867-I869 PolarHBondContact O-N 2.88Å; I869-K872 PolarHBondContact O-N 3.24Å; I869-H873 PolarHBondContact O-N 2.95Å; I869-H873 VanDerWaalsContact O-N 3.07Å; I869-A896 HydrophobicContact CG2-CB 4.14Å; I869-D899 HydrophobicContact CD1-CB 4.02Å; I869-D899 HydrophobicContact CG1-CB 4.06Å; I869-V900 HydrophobicContact CD1-CG2 4.19Å; I869-V900 HydrophobicContact CG2-CG2 4.11Å; I869-L903 HydrophobicContact CD1-CD2 4.24Å |
| 870 | K | 87.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.4 | -52.5 | 172.2 | -65.2 | -172.1 | -168 | -157.6 | 0 | 110.9 | L812 L866 E867 K872 H873 A874 V875 D876 V877 | L812-K870 HydrophobicContact CD1-CB 3.83Å; L812-K870 HydrophobicContact CD2-CB 4.34Å; L812-K870 HydrophobicContact CD2-CD 3.94Å; L866-K870 WeakPolarHBondContact O-CG 3.43Å; L866-K870 PolarHBondContact O-N 2.94Å; E867-K870 WeakPolarHBondContact O-CB 3.48Å; E867-K870 PolarHBondContact O-N 3.42Å; K870-K872 VanDerWaalsContact C-N 3.32Å; K870-K872 PolarHBondContact O-N 3.46Å; K870-H873 PolarHBondContact O-N 2.97Å; K870-A874 WeakPolarHBondContact O-CA 3.45Å; K870-A874 PolarHBondContact O-N 3.3Å; K870-V875 WeakPolarHBondContact CA-O 3.4Å; K870-V875 VanDerWaalsContact CB-O 3.29Å; K870-V875 WeakPolarHBondContact CB-O 3.31Å; K870-V875 WeakPolarHBondContact CG-O 3.48Å; K870-V875 PolarHBondContact O-N 3.44Å; K870-D876 WeakPolarHBondContact CE-OD1 3.49Å; K870-D876 IonicContact NZ-OD1 3.8Å; K870-D876 PolarHBondContact NZ-OD1 3.17Å; K870-V877 WeakPolarHBondContact CE-O 3.5Å; K870-V877 HydrophobicContact CG-CB 4.05Å; K870-V877 HydrophobicContact CG-CG2 3.92Å; K870-V877 PolarHBondContact NZ-O 3.1Å |
| 871 | R | 82.7 | Confident | 83.4 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.7 | -14.5 | -178.2 | -173.4 | 54.2 | -170.5 | 86.1 | -5.1 | 114.2 | W619 E620 L622 F808 L812 E867 V868 | W619-R871 VanDerWaalsContact CH2-NH1 3.34Å; W619-R871 WeakPolarHBondContact CH2-O 3.47Å; W619-R871 WeakPolarHBondContact CZ2-O 3.32Å; E620-R871 PolarHBondContact O-NH1 2.87Å; E620-R871 PolarHBondContact O-NH2 3.04Å; L622-R871 HydrophobicContact CD1-CB 4.43Å; L622-R871 HydrophobicContact CD1-CG 4.14Å; L622-R871 HydrophobicContact CG-CG 4.47Å; F808-R871 HydrophobicContact CE1-CB 4.15Å; F808-R871 HydrophobicContact CE2-CB 3.84Å; F808-R871 HydrophobicContact CE2-CG 3.78Å; F808-R871 HydrophobicContact CZ-CB 3.41Å; F808-R871 VanDerWaalsContact CZ-CB 3.41Å; F808-R871 HydrophobicContact CZ-CG 3.89Å; L812-R871 HydrophobicContact CD1-CB 4.33Å; E867-R871 PolarHBondContact O-N 3.19Å; V868-R871 CarbonylContact O-C 3.5Å; V868-R871 PolarHBondContact O-N 3.17Å |
| 872 | K | 82.8 | Confident | 84 | Confident | 79 Ų | 79 | 33.7 Ų | 33.7 | 34% | 0.343 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -80.4 | -43.8 | 171.7 | -179 | -177.5 | 175.5 | -170.9 | 0 | 111.9 | I627 V868 I869 K870 D899 | I627-K872 HydrophobicContact CD1-CD 3.77Å; I627-K872 HydrophobicContact CG1-CD 3.89Å; V868-K872 WeakPolarHBondContact O-CB 3.49Å; V868-K872 PolarHBondContact O-N 3.46Å; I869-K872 PolarHBondContact O-N 3.24Å; K870-K872 VanDerWaalsContact C-N 3.32Å; K870-K872 PolarHBondContact O-N 3.46Å; K872-D899 WeakPolarHBondContact CE-OD2 3.43Å; K872-D899 IonicContact NZ-OD1 3.93Å; K872-D899 PolarHBondContact NZ-OD1 3.5Å; K872-D899 IonicContact NZ-OD2 2.7Å; K872-D899 PolarHBondContact NZ-OD2 2.83Å |
| 873 | H | 85.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 35.6 Ų | 35.6 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -103.6 | -11.8 | -172.1 | -67 | -72.7 | 0 | 0 | 0 | 115.6 | R590 I869 K870 V875 A896 D899 | R590-H873 PolarHBondContact NH1-O 2.87Å; I869-H873 PolarHBondContact O-N 2.95Å; I869-H873 VanDerWaalsContact O-N 3.07Å; K870-H873 PolarHBondContact O-N 2.97Å; H873-V875 HydrophobicContact CB-CG1 4.1Å; H873-V875 HydrophobicContact CB-CG2 4.1Å; H873-A896 HydrophobicContact CB-CB 4.01Å; H873-D899 IonicContact CD2-OD2 3.99Å; H873-D899 IonicContact CE1-OD2 3.96Å; H873-D899 IonicContact NE2-OD2 3.05Å; H873-D899 PolarHBondContact NE2-OD2 2.76Å |
| 874 | A | 85.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 54.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G587 R590 W619 K870 | G587-A874 WeakPolarHBondContact CA-O 3.48Å; G587-A874 PolarHBondContact N-O 2.81Å; R590-A874 HydrophobicContact CB-CB 3.89Å; R590-A874 HydrophobicContact CG-CB 4.48Å; W619-A874 HydrophobicContact CD2-CB 4.13Å; W619-A874 HydrophobicContact CE3-CB 4.21Å; W619-A874 HydrophobicContact CH2-CB 3.53Å; W619-A874 HydrophobicContact CZ2-CB 3.53Å; W619-A874 HydrophobicContact CZ3-CB 3.94Å; K870-A874 WeakPolarHBondContact O-CA 3.45Å; K870-A874 PolarHBondContact O-N 3.3Å |
| 875 | V | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -128 | 154.2 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 109.1 | K870 H873 V877 V886 S887 V893 A896 | K870-V875 WeakPolarHBondContact CA-O 3.4Å; K870-V875 VanDerWaalsContact CB-O 3.29Å; K870-V875 WeakPolarHBondContact CB-O 3.31Å; K870-V875 WeakPolarHBondContact CG-O 3.48Å; K870-V875 PolarHBondContact O-N 3.44Å; H873-V875 HydrophobicContact CB-CG1 4.1Å; H873-V875 HydrophobicContact CB-CG2 4.1Å; V875-V877 HydrophobicContact CG2-CG2 3.98Å; V875-V886 HydrophobicContact CB-CG1 4.24Å; V875-V886 HydrophobicContact CG2-CG1 4.15Å; V875-S887 CarbonylContact C-O 3.57Å; V875-S887 WeakPolarHBondContact CA-O 3.37Å; V875-S887 WeakPolarHBondContact CB-O 3.38Å; V875-V893 HydrophobicContact CG1-CG2 4.32Å; V875-A896 HydrophobicContact CG1-CB 4.23Å; V875-A896 HydrophobicContact CG2-CB 3.72Å | ||
| 876 | D | 88.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 33 Ų | 33 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 149.3 | 161.3 | -172.1 | 35.1 | 0 | 0 | 0 | 110.2 | P586 K870 Q878 V886 S887 | P586-D876 HydrophobicContact CB-CB 4.25Å; P586-D876 HydrophobicContact CG-CB 3.95Å; K870-D876 WeakPolarHBondContact CE-OD1 3.49Å; K870-D876 IonicContact NZ-OD1 3.8Å; K870-D876 PolarHBondContact NZ-OD1 3.17Å; D876-Q878 VanDerWaalsContact OD2-CG 3.3Å; D876-Q878 WeakPolarHBondContact OD2-CG 3.32Å; D876-Q878 PolarHBondContact OD2-NE2 2.97Å; D876-V886 WeakPolarHBondContact O-CA 3.45Å; D876-S887 PolarHBondContact N-O 2.75Å; D876-S887 PolarHBondContact O-N 2.74Å |
| 877 | V | 89 | Confident | 85.8 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 118.3 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | L866 K870 V875 I884 A885 V886 | L866-V877 HydrophobicContact CD1-CG1 4.41Å; L866-V877 HydrophobicContact CD2-CG1 4.2Å; K870-V877 WeakPolarHBondContact CE-O 3.5Å; K870-V877 HydrophobicContact CG-CB 4.05Å; K870-V877 HydrophobicContact CG-CG2 3.92Å; K870-V877 PolarHBondContact NZ-O 3.1Å; V875-V877 HydrophobicContact CG2-CG2 3.98Å; V877-I884 HydrophobicContact CG1-CG2 3.35Å; V877-A885 CarbonylContact C-O 3.58Å; V877-A885 WeakPolarHBondContact CA-O 3.3Å; V877-V886 HydrophobicContact CG1-CG2 4.31Å; V877-V886 HydrophobicContact CG2-CG1 4.28Å; V877-V886 HydrophobicContact CG2-CG2 4.25Å |
| 878 | Q | 87.1 | Confident | 86.2 | Confident | 93 Ų | 93 | 30.7 Ų | 30.7 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.6 | -178.1 | -58.2 | -174.7 | 12.8 | 0 | 0 | 109.8 | D876 I884 A885 | D876-Q878 VanDerWaalsContact OD2-CG 3.3Å; D876-Q878 WeakPolarHBondContact OD2-CG 3.32Å; D876-Q878 PolarHBondContact OD2-NE2 2.97Å; Q878-I884 WeakPolarHBondContact O-CA 3.3Å; Q878-A885 PolarHBondContact N-O 3.47Å; Q878-A885 PolarHBondContact O-N 2.9Å |
| 879 | V | 86 | Confident | 86.5 | Confident | 64 Ų | 64 | 30.9 Ų | 30.9 | 39% | 0.388 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.7 | -177.5 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | V855 M858 L866 I884 | V855-V879 HydrophobicContact CG1-CG1 3.5Å; M858-V879 HydrophobicContact CE-CG2 4.19Å; M858-V879 HydrophobicContact SD-CG1 4.36Å; L866-V879 HydrophobicContact CD1-CG2 3.61Å; V879-I884 HydrophobicContact CG2-CG1 4.35Å |
| 880 | Q | 81.6 | Confident | 86.5 | Confident | 107 Ų | 107 | 36.9 Ų | 36.9 | 50% | 0.5 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 87.5 | -176.9 | -63.7 | -178.8 | 6.4 | 0 | 0 | 108.7 | T882 I883 | Q880-T882 PolarHBondContact O-N 2.86Å; Q880-I883 PolarHBondContact N-O 3.03Å; Q880-I883 PolarHBondContact O-N 3.18Å |
| 881 | G | 80.6 | Confident | 86.4 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | -95.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V855 | V855-G881 WeakPolarHBondContact CG1-O 3.47Š|
| 882 | T | 83.5 | Confident | 86.7 | Confident | 35 Ų | 35 | 39.3 Ų | 39.3 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -2.3 | 175.5 | 41 | 0 | 0 | 0 | 0 | 113.7 | E851 H852 K856 Q880 | E851-T882 WeakPolarHBondContact CA-O 3.43Å; H852-T882 PolarHBondContact N-O 2.85Å; K856-T882 HydrophobicContact CD-CG2 4.19Å; K856-T882 HydrophobicContact CG-CG2 3.86Å; Q880-T882 PolarHBondContact O-N 2.86Å |
| 883 | I | 85.5 | Confident | 87 | Confident | 53 Ų | 53 | 35.6 Ų | 35.6 | 27% | 0.272 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.2 | -173.5 | -56.6 | 174.6 | 0 | 0 | 0 | 109.4 | K849 E851 Q880 | K849-I883 HydrophobicContact CB-CG2 3.85Å; K849-I883 HydrophobicContact CD-CG2 4.23Å; K849-I883 HydrophobicContact CG-CG2 4.26Å; E851-I883 HydrophobicContact CB-CG1 4.2Å; E851-I883 HydrophobicContact CG-CG1 4.15Å; Q880-I883 PolarHBondContact N-O 3.03Å; Q880-I883 PolarHBondContact O-N 3.18Å |
| 884 | I | 87.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.5 | 165 | -58 | -178 | 0 | 0 | 0 | 107.5 | V850 V855 L866 V877 Q878 V879 V886 V900 L904 | V850-I884 PolarHBondContact N-O 2.78Å; V850-I884 PolarHBondContact O-N 3.02Å; V855-I884 HydrophobicContact CG1-CG1 4.33Å; V855-I884 HydrophobicContact CG2-CD1 3.93Å; V855-I884 HydrophobicContact CG2-CG1 3.88Å; L866-I884 HydrophobicContact CD1-CD1 4.46Å; V877-I884 HydrophobicContact CG1-CG2 3.35Å; Q878-I884 WeakPolarHBondContact O-CA 3.3Å; V879-I884 HydrophobicContact CG2-CG1 4.35Å; I884-V886 HydrophobicContact CG2-CG2 4.16Å; I884-V900 HydrophobicContact CD1-CG1 3.93Å; I884-V900 HydrophobicContact CG2-CG1 4.24Å; I884-L904 HydrophobicContact CD1-CD2 4.11Å; I884-L904 HydrophobicContact CD1-CG 4.49Å |
| 885 | A | 89.9 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | E847 K849 V877 Q878 | E847-A885 HydrophobicContact CG-CB 4.41Å; K849-A885 HydrophobicContact CG-CB 4.21Å; V877-A885 CarbonylContact C-O 3.58Å; V877-A885 WeakPolarHBondContact CA-O 3.3Å; Q878-A885 PolarHBondContact N-O 3.47Å; Q878-A885 PolarHBondContact O-N 2.9Å |
| 886 | V | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.2 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | E847 E848 V875 D876 V877 I884 V893 A896 I897 V900 | E847-V886 WeakPolarHBondContact CA-O 3.3Å; E848-V886 PolarHBondContact N-O 3.46Å; E848-V886 PolarHBondContact O-N 2.8Å; V875-V886 HydrophobicContact CB-CG1 4.24Å; V875-V886 HydrophobicContact CG2-CG1 4.15Å; D876-V886 WeakPolarHBondContact O-CA 3.45Å; V877-V886 HydrophobicContact CG1-CG2 4.31Å; V877-V886 HydrophobicContact CG2-CG1 4.28Å; V877-V886 HydrophobicContact CG2-CG2 4.25Å; I884-V886 HydrophobicContact CG2-CG2 4.16Å; V886-V893 HydrophobicContact CB-CG1 4.39Å; V886-V893 HydrophobicContact CG1-CB 4.47Å; V886-V893 HydrophobicContact CG1-CG1 4.1Å; V886-V893 HydrophobicContact CG1-CG2 4.36Å; V886-A896 HydrophobicContact CG1-CB 4.02Å; V886-I897 HydrophobicContact CB-CD1 4.46Å; V886-I897 HydrophobicContact CB-CG1 4.19Å; V886-I897 HydrophobicContact CG1-CG1 4.42Å; V886-I897 HydrophobicContact CG2-CG1 4.01Å; V886-V900 HydrophobicContact CG2-CG2 4.4Å |
| 887 | S | 89.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.1 | -178 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | V846 V875 D876 | V846-S887 WeakPolarHBondContact O-CA 3.39Å; V875-S887 CarbonylContact C-O 3.57Å; V875-S887 WeakPolarHBondContact CA-O 3.37Å; V875-S887 WeakPolarHBondContact CB-O 3.38Å; D876-S887 PolarHBondContact N-O 2.75Å; D876-S887 PolarHBondContact O-N 2.74Å |
| 888 | G | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -166.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q845 V846 | Q845-G888 WeakPolarHBondContact CA-O 3.38Å; Q845-G888 VanDerWaalsContact OE1-CA 3.23Å; V846-G888 PolarHBondContact N-O 2.9Å; V846-G888 PolarHBondContact O-N 2.92Å; V846-G888 VanDerWaalsContact O-N 3.14Å |
| 889 | F | 88.8 | Confident | 87 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.6 | 171.1 | -65.2 | -91.9 | 0 | 0 | 0 | 110.3 | P586 F591 V841 R844 Q845 D891 Y892 V893 | P586-F889 WeakPolarHBondContact O-CE2 3.4Å; F591-F889 HydrophobicContact CB-CD1 4.49Å; F591-F889 HydrophobicContact CB-CD2 4.2Å; F591-F889 HydrophobicContact CB-CE1 4Å; F591-F889 HydrophobicContact CB-CE2 3.69Å; F591-F889 HydrophobicContact CB-CZ 3.56Å; F591-F889 AromaticContact CD1-CE1 3.59Å; F591-F889 HydrophobicContact CD1-CE1 3.59Å; F591-F889 AromaticContact CD1-CZ 3.56Å; F591-F889 HydrophobicContact CD1-CZ 3.56Å; F591-F889 AromaticContact CD2-CD1 3.9Å; F591-F889 HydrophobicContact CD2-CD1 3.9Å; F591-F889 AromaticContact CD2-CE1 3.69Å; F591-F889 HydrophobicContact CD2-CE1 3.69Å; F591-F889 HydrophobicContact CD2-CZ 4.17Å; F591-F889 AromaticContact CE1-CE1 3.91Å; F591-F889 HydrophobicContact CE1-CE1 3.91Å; F591-F889 HydrophobicContact CE1-CZ 4.28Å; F591-F889 HydrophobicContact CE2-CD1 4.24Å; F591-F889 HydrophobicContact CE2-CE1 4.01Å; F591-F889 HydrophobicContact CG-CD1 4.09Å; F591-F889 AromaticContact CG-CE1 3.48Å; F591-F889 HydrophobicContact CG-CE1 3.48Å; F591-F889 VanDerWaalsContact CG-CE1 3.48Å; F591-F889 HydrophobicContact CG-CE2 4.13Å; F591-F889 AromaticContact CG-CZ 3.5Å; F591-F889 HydrophobicContact CG-CZ 3.5Å; F591-F889 HydrophobicContact CZ-CE1 4.12Å; V841-F889 HydrophobicContact CG1-CZ 4.08Å; R844-F889 HydrophobicContact CB-CD1 3.86Å; R844-F889 HydrophobicContact CB-CE1 3.95Å; Q845-F889 VanDerWaalsContact NE2-CD2 3.26Å; F889-D891 VanDerWaalsContact C-N 3.31Å; F889-D891 PolarHBondContact O-N 3.19Å; F889-D891 VanDerWaalsContact O-N 3.12Å; F889-Y892 HydrophobicContact CB-CD2 3.83Å; F889-Y892 HydrophobicContact CB-CE2 3.92Å; F889-Y892 HydrophobicContact CB-CG 4.15Å; F889-Y892 HydrophobicContact CD2-CD2 4.06Å; F889-Y892 AromaticContact CD2-CE2 3.74Å; F889-Y892 HydrophobicContact CD2-CE2 3.74Å; F889-Y892 HydrophobicContact CG-CD2 4.37Å; F889-Y892 HydrophobicContact CG-CE2 4.1Å; F889-Y892 WeakPolarHBondContact O-CA 3.35Å; F889-Y892 WeakPolarHBondContact O-CB 3.26Å; F889-Y892 PolarHBondContact O-N 2.99Å; F889-V893 WeakPolarHBondContact O-CG2 3.44Å; F889-V893 PolarHBondContact O-N 2.97Å |
| 890 | K | 85.5 | Confident | 87 | Confident | 128 Ų | 128 | 35 Ų | 35 | 56% | 0.557 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -43 | -51.1 | -172.9 | -174.3 | -173.8 | 175.7 | -170.2 | 0 | 114.3 | V846 Y892 V893 T894 | V846-K890 HydrophobicContact CG2-CB 3.89Å; V846-K890 HydrophobicContact CG2-CG 4.29Å; K890-Y892 VanDerWaalsContact C-N 3.27Å; K890-Y892 PolarHBondContact O-N 2.83Å; K890-V893 PolarHBondContact O-N 3.49Å; K890-T894 PolarHBondContact O-N 3.35Å; K890-T894 PolarHBondContact O-OG1 2.88Å |
| 891 | D | 85.3 | Confident | 87.2 | Confident | 114 Ų | 114 | 35.7 Ų | 35.7 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -71.6 | -25.6 | -174.3 | -66.3 | 4 | 0 | 0 | 0 | 111.8 | F889 T894 A895 | F889-D891 VanDerWaalsContact C-N 3.31Å; F889-D891 PolarHBondContact O-N 3.19Å; F889-D891 VanDerWaalsContact O-N 3.12Å; D891-T894 PolarHBondContact O-OG1 2.79Å; D891-T894 VanDerWaalsContact O-OG1 3.11Å; D891-A895 PolarHBondContact O-N 3.05Å |
| 892 | Y | 89.3 | Confident | 87.4 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.2 | -39.5 | 173.8 | -50.8 | -8.3 | 0 | 0 | 0 | 110.7 | R590 F591 E594 F889 K890 A895 A896 | R590-Y892 HydrophobicContact CB-CE2 3.94Å; R590-Y892 HydrophobicContact CG-CE1 4.48Å; R590-Y892 HydrophobicContact CG-CE2 3.82Å; R590-Y892 VanDerWaalsContact CZ-CD1 3.42Å; F591-Y892 WeakPolarHBondContact CA-OH 3.3Å; F591-Y892 PolarHBondContact N-OH 2.9Å; E594-Y892 WeakPolarHBondContact OE1-CE1 3.46Å; E594-Y892 VanDerWaalsContact OE1-CZ 3.3Å; E594-Y892 PolarHBondContact OE1-OH 3.45Å; F889-Y892 HydrophobicContact CB-CD2 3.83Å; F889-Y892 HydrophobicContact CB-CE2 3.92Å; F889-Y892 HydrophobicContact CB-CG 4.15Å; F889-Y892 HydrophobicContact CD2-CD2 4.06Å; F889-Y892 AromaticContact CD2-CE2 3.74Å; F889-Y892 HydrophobicContact CD2-CE2 3.74Å; F889-Y892 HydrophobicContact CG-CD2 4.37Å; F889-Y892 HydrophobicContact CG-CE2 4.1Å; F889-Y892 WeakPolarHBondContact O-CA 3.35Å; F889-Y892 WeakPolarHBondContact O-CB 3.26Å; F889-Y892 PolarHBondContact O-N 2.99Å; K890-Y892 VanDerWaalsContact C-N 3.27Å; K890-Y892 PolarHBondContact O-N 2.83Å; Y892-A895 PolarHBondContact O-N 3.4Å; Y892-A896 VanDerWaalsContact O-CB 3.31Å; Y892-A896 WeakPolarHBondContact O-CB 3.48Å; Y892-A896 PolarHBondContact O-N 2.7Å |
| 893 | V | 89 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | E848 V875 V886 F889 K890 A895 A896 I897 | E848-V893 HydrophobicContact CB-CG1 3.91Å; E848-V893 HydrophobicContact CG-CG1 4.27Å; V875-V893 HydrophobicContact CG1-CG2 4.32Å; V886-V893 HydrophobicContact CB-CG1 4.39Å; V886-V893 HydrophobicContact CG1-CB 4.47Å; V886-V893 HydrophobicContact CG1-CG1 4.1Å; V886-V893 HydrophobicContact CG1-CG2 4.36Å; F889-V893 WeakPolarHBondContact O-CG2 3.44Å; F889-V893 PolarHBondContact O-N 2.97Å; K890-V893 PolarHBondContact O-N 3.49Å; V893-A895 VanDerWaalsContact C-N 3.33Å; V893-A895 PolarHBondContact O-N 3.13Å; V893-A896 PolarHBondContact O-N 3.43Å; V893-I897 HydrophobicContact CG1-CD1 3.64Å; V893-I897 HydrophobicContact CG1-CG1 4.42Å; V893-I897 WeakPolarHBondContact O-CB 3.48Å; V893-I897 VanDerWaalsContact O-CG1 3.28Å; V893-I897 WeakPolarHBondContact O-CG1 3.49Å; V893-I897 PolarHBondContact O-N 3.15Å |
| 894 | T | 86.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 36% | 0.362 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | K890 D891 S898 | K890-T894 PolarHBondContact O-N 3.35Å; K890-T894 PolarHBondContact O-OG1 2.88Å; D891-T894 PolarHBondContact O-OG1 2.79Å; D891-T894 VanDerWaalsContact O-OG1 3.11Å; T894-S898 PolarHBondContact O-N 3.13Å; T894-S898 PolarHBondContact O-OG 3.5Å; T894-S898 VanDerWaalsContact O-OG 3.04Å |
| 895 | A | 86.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D891 Y892 V893 I897 S898 D899 | D891-A895 PolarHBondContact O-N 3.05Å; Y892-A895 PolarHBondContact O-N 3.4Å; V893-A895 VanDerWaalsContact C-N 3.33Å; V893-A895 PolarHBondContact O-N 3.13Å; A895-I897 PolarHBondContact O-N 3.48Å; A895-S898 WeakPolarHBondContact O-CB 3.4Å; A895-S898 PolarHBondContact O-N 2.96Å; A895-D899 PolarHBondContact O-N 2.69Å |
| 896 | A | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I869 H873 V875 V886 Y892 V893 S898 D899 V900 | I869-A896 HydrophobicContact CG2-CB 4.14Å; H873-A896 HydrophobicContact CB-CB 4.01Å; V875-A896 HydrophobicContact CG1-CB 4.23Å; V875-A896 HydrophobicContact CG2-CB 3.72Å; V886-A896 HydrophobicContact CG1-CB 4.02Å; Y892-A896 VanDerWaalsContact O-CB 3.31Å; Y892-A896 WeakPolarHBondContact O-CB 3.48Å; Y892-A896 PolarHBondContact O-N 2.7Å; V893-A896 PolarHBondContact O-N 3.43Å; A896-S898 PolarHBondContact O-N 3.45Å; A896-D899 PolarHBondContact O-N 3.42Å; A896-D899 VanDerWaalsContact O-N 3.14Å; A896-V900 WeakPolarHBondContact O-CG2 3.25Å; A896-V900 PolarHBondContact O-N 2.85Å |
| 897 | I | 88 | Confident | 85.5 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -29.2 | 176.8 | -75.8 | 169.7 | 0 | 0 | 0 | 112.3 | E848 V850 V886 V893 A895 K901 | E848-I897 HydrophobicContact CB-CD1 3.41Å; E848-I897 VanDerWaalsContact CB-CD1 3.41Å; E848-I897 HydrophobicContact CG-CD1 4.17Å; E848-I897 VanDerWaalsContact OE2-CD1 3.29Å; E848-I897 WeakPolarHBondContact OE2-CD1 3.33Å; V850-I897 HydrophobicContact CG2-CG1 4.28Å; V850-I897 HydrophobicContact CG2-CG2 4.23Å; V886-I897 HydrophobicContact CB-CD1 4.46Å; V886-I897 HydrophobicContact CB-CG1 4.19Å; V886-I897 HydrophobicContact CG1-CG1 4.42Å; V886-I897 HydrophobicContact CG2-CG1 4.01Å; V893-I897 HydrophobicContact CG1-CD1 3.64Å; V893-I897 HydrophobicContact CG1-CG1 4.42Å; V893-I897 WeakPolarHBondContact O-CB 3.48Å; V893-I897 VanDerWaalsContact O-CG1 3.28Å; V893-I897 WeakPolarHBondContact O-CG1 3.49Å; V893-I897 PolarHBondContact O-N 3.15Å; A895-I897 PolarHBondContact O-N 3.48Å; I897-K901 HydrophobicContact CG2-CD 4Å; I897-K901 HydrophobicContact CG2-CG 4.47Å; I897-K901 WeakPolarHBondContact O-CB 3.49Å; I897-K901 WeakPolarHBondContact O-CD 3.47Å; I897-K901 VanDerWaalsContact O-CG 3.24Å; I897-K901 WeakPolarHBondContact O-CG 3.49Å; I897-K901 PolarHBondContact O-N 3.49Å |
| 898 | S | 85.9 | Confident | 84.5 | Confident | 74 Ų | 74 | 43.6 Ų | 43.6 | 52% | 0.517 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 175 | -57 | 0 | 0 | 0 | 0 | 111.2 | T894 A895 A896 K901 L902 | T894-S898 PolarHBondContact O-N 3.13Å; T894-S898 PolarHBondContact O-OG 3.5Å; T894-S898 VanDerWaalsContact O-OG 3.04Å; A895-S898 WeakPolarHBondContact O-CB 3.4Å; A895-S898 PolarHBondContact O-N 2.96Å; A896-S898 PolarHBondContact O-N 3.45Å; S898-K901 PolarHBondContact O-N 2.84Å; S898-L902 PolarHBondContact O-N 3.35Å; S898-L902 VanDerWaalsContact O-N 3.1Å |
| 899 | D | 86.1 | Confident | 83.3 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -33.9 | 173.9 | -71.8 | -33.4 | 0 | 0 | 0 | 112.8 | I627 I869 K872 H873 A895 A896 L902 L903 | I627-D899 HydrophobicContact CD1-CB 3.71Å; I627-D899 WeakPolarHBondContact CD1-OD2 3.37Å; I869-D899 HydrophobicContact CD1-CB 4.02Å; I869-D899 HydrophobicContact CG1-CB 4.06Å; K872-D899 WeakPolarHBondContact CE-OD2 3.43Å; K872-D899 IonicContact NZ-OD1 3.93Å; K872-D899 PolarHBondContact NZ-OD1 3.5Å; K872-D899 IonicContact NZ-OD2 2.7Å; K872-D899 PolarHBondContact NZ-OD2 2.83Å; H873-D899 IonicContact CD2-OD2 3.99Å; H873-D899 IonicContact CE1-OD2 3.96Å; H873-D899 IonicContact NE2-OD2 3.05Å; H873-D899 PolarHBondContact NE2-OD2 2.76Å; A895-D899 PolarHBondContact O-N 2.69Å; A896-D899 PolarHBondContact O-N 3.42Å; A896-D899 VanDerWaalsContact O-N 3.14Å; D899-L902 PolarHBondContact O-N 3.5Å; D899-L903 WeakPolarHBondContact O-CB 3.45Å; D899-L903 PolarHBondContact O-N 2.89Å |
| 900 | V | 87.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L866 I869 I884 V886 A896 L903 L904 | L866-V900 HydrophobicContact CD2-CG2 4.1Å; I869-V900 HydrophobicContact CD1-CG2 4.19Å; I869-V900 HydrophobicContact CG2-CG2 4.11Å; I884-V900 HydrophobicContact CD1-CG1 3.93Å; I884-V900 HydrophobicContact CG2-CG1 4.24Å; V886-V900 HydrophobicContact CG2-CG2 4.4Å; A896-V900 WeakPolarHBondContact O-CG2 3.25Å; A896-V900 PolarHBondContact O-N 2.85Å; V900-L903 PolarHBondContact O-N 2.8Å; V900-L904 HydrophobicContact CG1-CD1 4.03Å; V900-L904 HydrophobicContact CG1-CG 4.39Å; V900-L904 WeakPolarHBondContact O-CB 3.27Å; V900-L904 VanDerWaalsContact O-CG 3.28Å; V900-L904 WeakPolarHBondContact O-CG 3.26Å; V900-L904 PolarHBondContact O-N 2.69Å |
| 901 | K | 85.5 | Confident | 80.9 | Confident | 120 Ų | 120 | 46.6 Ų | 46.6 | 52% | 0.522 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 173 | -77 | 166.1 | -179.2 | 168.4 | 0 | 111.5 | I897 S898 L903 L904 E905 | I897-K901 HydrophobicContact CG2-CD 4Å; I897-K901 HydrophobicContact CG2-CG 4.47Å; I897-K901 WeakPolarHBondContact O-CB 3.49Å; I897-K901 WeakPolarHBondContact O-CD 3.47Å; I897-K901 VanDerWaalsContact O-CG 3.24Å; I897-K901 WeakPolarHBondContact O-CG 3.49Å; I897-K901 PolarHBondContact O-N 3.49Å; S898-K901 PolarHBondContact O-N 2.84Å; K901-L903 VanDerWaalsContact C-N 3.33Å; K901-L903 PolarHBondContact O-N 3.27Å; K901-L904 PolarHBondContact O-N 2.87Å; K901-E905 WeakPolarHBondContact O-CB 3.38Å; K901-E905 PolarHBondContact O-N 3.31Å |
| 902 | L | 84.5 | Confident | 79.8 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 174.7 | -173.6 | 66.3 | 0 | 0 | 0 | 112.2 | F628 S898 D899 N906 | F628-L902 HydrophobicContact CE2-CD2 3.96Å; F628-L902 HydrophobicContact CE2-CG 4.07Å; F628-L902 HydrophobicContact CZ-CD2 4.43Å; F628-L902 HydrophobicContact CZ-CG 4.16Å; S898-L902 PolarHBondContact O-N 3.35Å; S898-L902 VanDerWaalsContact O-N 3.1Å; D899-L902 PolarHBondContact O-N 3.5Å; L902-N906 WeakPolarHBondContact O-CB 3.46Å; L902-N906 PolarHBondContact O-N 3.09Å |
| 903 | L | 84 | Confident | 78.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 171.9 | 174.6 | 63.5 | 0 | 0 | 0 | 111.7 | F628 H862 C865 L866 I869 D899 V900 K901 E905 N906 I907 | F628-L903 HydrophobicContact CE1-CB 4.47Å; F628-L903 HydrophobicContact CE1-CD1 3.88Å; H862-L903 HydrophobicContact CB-CD1 4.23Å; C865-L903 HydrophobicContact CB-CD1 3.81Å; C865-L903 HydrophobicContact CB-CD2 3.91Å; L866-L903 HydrophobicContact CD2-CD2 3.5Å; L866-L903 HydrophobicContact CG-CD2 3.83Å; I869-L903 HydrophobicContact CD1-CD2 4.24Å; D899-L903 WeakPolarHBondContact O-CB 3.45Å; D899-L903 PolarHBondContact O-N 2.89Å; V900-L903 PolarHBondContact O-N 2.8Å; K901-L903 VanDerWaalsContact C-N 3.33Å; K901-L903 PolarHBondContact O-N 3.27Å; L903-E905 VanDerWaalsContact C-N 3.34Å; L903-E905 PolarHBondContact O-N 3.23Å; L903-N906 WeakPolarHBondContact O-CB 3.45Å; L903-N906 PolarHBondContact O-N 2.88Å; L903-I907 HydrophobicContact CD1-CD1 4.14Å; L903-I907 HydrophobicContact CD1-CG1 4.29Å; L903-I907 HydrophobicContact CG-CD1 3.97Å; L903-I907 VanDerWaalsContact O-CG1 3.22Å; L903-I907 WeakPolarHBondContact O-CG1 3.24Å; L903-I907 PolarHBondContact O-N 3.33Å |
| 904 | L | 83.3 | Confident | 77.4 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 178.5 | -72.5 | 170.4 | 0 | 0 | 0 | 112.8 | V850 H852 V855 I884 V900 K901 I907 S908 | V850-L904 HydrophobicContact CG1-CD1 3.61Å; H852-L904 HydrophobicContact CB-CD1 3.88Å; H852-L904 HydrophobicContact CB-CD2 3.98Å; H852-L904 HydrophobicContact CB-CG 4.47Å; V855-L904 HydrophobicContact CG2-CD2 3.71Å; I884-L904 HydrophobicContact CD1-CD2 4.11Å; I884-L904 HydrophobicContact CD1-CG 4.49Å; V900-L904 HydrophobicContact CG1-CD1 4.03Å; V900-L904 HydrophobicContact CG1-CG 4.39Å; V900-L904 WeakPolarHBondContact O-CB 3.27Å; V900-L904 VanDerWaalsContact O-CG 3.28Å; V900-L904 WeakPolarHBondContact O-CG 3.26Å; V900-L904 PolarHBondContact O-N 2.69Å; K901-L904 PolarHBondContact O-N 2.87Å; L904-I907 HydrophobicContact CD2-CD1 4.41Å; L904-I907 PolarHBondContact O-N 2.89Å; L904-S908 WeakPolarHBondContact O-CB 3.39Å; L904-S908 PolarHBondContact O-N 2.99Å |
| 905 | E | 79.1 | Confident | 76.3 | Confident | 115 Ų | 115 | 57.4 Ų | 57.4 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 171 | -178.6 | 175.1 | -173.9 | 0 | 0 | 111.2 | K901 L903 I907 S908 N909 | K901-E905 WeakPolarHBondContact O-CB 3.38Å; K901-E905 PolarHBondContact O-N 3.31Å; L903-E905 VanDerWaalsContact C-N 3.34Å; L903-E905 PolarHBondContact O-N 3.23Å; E905-I907 VanDerWaalsContact C-N 3.34Å; E905-I907 PolarHBondContact O-N 2.97Å; E905-S908 CarbonylContact O-C 3.58Å; E905-S908 WeakPolarHBondContact O-CB 3.27Å; E905-S908 PolarHBondContact O-N 3.19Å; E905-S908 VanDerWaalsContact O-N 3.07Å; E905-N909 WeakPolarHBondContact O-CB 3.32Å; E905-N909 PolarHBondContact O-N 3.01Å; E905-N909 PolarHBondContact O-ND2 2.92Å |
| 906 | N | 76.3 | Confident | 75.6 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.5 | -167 | -3.2 | 0 | 0 | 0 | 111.5 | F628 L902 L903 S908 N909 A910 | F628-N906 WeakPolarHBondContact CD1-ND2 3.45Å; F628-N906 HydrophobicContact CE1-CB 4.26Å; F628-N906 WeakPolarHBondContact CE1-ND2 3.48Å; F628-N906 HydrophobicContact CZ-CB 4.16Å; F628-N906 WeakPolarHBondContact CZ-ND2 3.21Å; L902-N906 WeakPolarHBondContact O-CB 3.46Å; L902-N906 PolarHBondContact O-N 3.09Å; L903-N906 WeakPolarHBondContact O-CB 3.45Å; L903-N906 PolarHBondContact O-N 2.88Å; N906-S908 VanDerWaalsContact C-N 3.33Å; N906-S908 PolarHBondContact O-N 3.48Å; N906-N909 CarbonylContact O-C 3.16Å; N906-N909 PolarHBondContact O-N 2.85Å; N906-A910 PolarHBondContact O-N 3.39Å |
| 907 | I | 75.4 | Confident | 74.5 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 173.3 | -60.4 | 162.4 | 0 | 0 | 0 | 111.2 | N857 M858 H862 L903 L904 E905 N909 A910 | N857-I907 HydrophobicContact CB-CG2 4.42Å; M858-I907 HydrophobicContact CG-CD1 4.07Å; H862-I907 HydrophobicContact CB-CD1 3.98Å; H862-I907 HydrophobicContact CB-CG1 4.37Å; L903-I907 HydrophobicContact CD1-CD1 4.14Å; L903-I907 HydrophobicContact CD1-CG1 4.29Å; L903-I907 HydrophobicContact CG-CD1 3.97Å; L903-I907 VanDerWaalsContact O-CG1 3.22Å; L903-I907 WeakPolarHBondContact O-CG1 3.24Å; L903-I907 PolarHBondContact O-N 3.33Å; L904-I907 HydrophobicContact CD2-CD1 4.41Å; L904-I907 PolarHBondContact O-N 2.89Å; E905-I907 VanDerWaalsContact C-N 3.34Å; E905-I907 PolarHBondContact O-N 2.97Å; I907-N909 VanDerWaalsContact C-N 3.28Å; I907-N909 PolarHBondContact O-N 2.88Å; I907-A910 WeakPolarHBondContact O-CB 3.34Å; I907-A910 PolarHBondContact O-N 3.15Å |
| 908 | S | 69.8 | Low | 73.4 | Confident | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -23.5 | 177.2 | -163 | 0 | 0 | 0 | 0 | 113.6 | L904 E905 N906 | L904-S908 WeakPolarHBondContact O-CB 3.39Å; L904-S908 PolarHBondContact O-N 2.99Å; E905-S908 CarbonylContact O-C 3.58Å; E905-S908 WeakPolarHBondContact O-CB 3.27Å; E905-S908 PolarHBondContact O-N 3.19Å; E905-S908 VanDerWaalsContact O-N 3.07Å; N906-S908 VanDerWaalsContact C-N 3.33Å; N906-S908 PolarHBondContact O-N 3.48Å |
| 909 | N | 64.6 | Low | 72.3 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 1.3 | 176.5 | -66.9 | -32.8 | 0 | 0 | 0 | 112.7 | E905 N906 I907 | E905-N909 WeakPolarHBondContact O-CB 3.32Å; E905-N909 PolarHBondContact O-N 3.01Å; E905-N909 PolarHBondContact O-ND2 2.92Å; N906-N909 CarbonylContact O-C 3.16Å; N906-N909 PolarHBondContact O-N 2.85Å; I907-N909 VanDerWaalsContact C-N 3.28Å; I907-N909 PolarHBondContact O-N 2.88Å |
| 910 | A | 62 | Low | 71.7 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 124.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N906 I907 | N906-A910 PolarHBondContact O-N 3.39Å; I907-A910 WeakPolarHBondContact O-CB 3.34Å; I907-A910 PolarHBondContact O-N 3.15Å |
| 911 | V | 61.3 | Low | 71.4 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 131.5 | 169.6 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | E915 I916 | V911-E915 HydrophobicContact CG1-CB 3.83Å; V911-E915 HydrophobicContact CG1-CG 3.69Å; V911-I916 HydrophobicContact CB-CG1 4.37Å; V911-I916 HydrophobicContact CG1-CG1 3.94Å |
| 912 | S | 62.7 | Low | 71.3 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 148.2 | -175 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | K914 E915 I916 | S912-K914 PolarHBondContact O-N 3.05Å; S912-E915 WeakPolarHBondContact O-CA 3.45Å; S912-E915 WeakPolarHBondContact O-CB 3.32Å; S912-E915 PolarHBondContact O-N 2.77Å; S912-E915 VanDerWaalsContact OG-CB 3.31Å; S912-E915 WeakPolarHBondContact OG-CB 3.36Å; S912-E915 PolarHBondContact OG-N 3.43Å; S912-I916 PolarHBondContact O-N 3.48Å |
| 913 | D | 66.3 | Low | 71.2 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.9 | -34.5 | 178.8 | -57.4 | -30.1 | 0 | 0 | 0 | 111.9 | E915 I916 L917 V941 | D913-E915 PolarHBondContact O-N 3.22Å; D913-I916 PolarHBondContact O-N 2.84Å; D913-L917 WeakPolarHBondContact O-CB 3.44Å; D913-L917 VanDerWaalsContact O-CG 3.29Å; D913-L917 WeakPolarHBondContact O-CG 3.27Å; D913-L917 PolarHBondContact O-N 3.07Å; D913-V941 HydrophobicContact CB-CG1 4.18Å; D913-V941 HydrophobicContact CB-CG2 3.99Å; D913-V941 WeakPolarHBondContact OD1-CG1 3.43Å |
| 914 | K | 61.3 | Low | 71.2 | Confident | 172 Ų | 172 | 59.8 Ų | 59.8 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.7 | -15.7 | 174.4 | -66.1 | -176.2 | 179.1 | 179.8 | 0 | 113.9 | S912 K918 | S912-K914 PolarHBondContact O-N 3.05Å; K914-K918 VanDerWaalsContact O-CD 3.24Å; K914-K918 WeakPolarHBondContact O-CD 3.4Å; K914-K918 WeakPolarHBondContact O-CE 3.2Å; K914-K918 VanDerWaalsContact O-CG 3.26Å; K914-K918 WeakPolarHBondContact O-CG 3.08Å |
| 915 | E | 64.3 | Low | 71 | Confident | 100 Ų | 100 | 62 Ų | 62 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -99.7 | -41.5 | 176 | -176.4 | 175.1 | -170.6 | 0 | 0 | 110.7 | V911 S912 D913 L917 K918 T919 | V911-E915 HydrophobicContact CG1-CB 3.83Å; V911-E915 HydrophobicContact CG1-CG 3.69Å; S912-E915 WeakPolarHBondContact O-CA 3.45Å; S912-E915 WeakPolarHBondContact O-CB 3.32Å; S912-E915 PolarHBondContact O-N 2.77Å; S912-E915 VanDerWaalsContact OG-CB 3.31Å; S912-E915 WeakPolarHBondContact OG-CB 3.36Å; S912-E915 PolarHBondContact OG-N 3.43Å; D913-E915 PolarHBondContact O-N 3.22Å; E915-L917 VanDerWaalsContact C-N 3.29Å; E915-L917 PolarHBondContact O-N 3.16Å; E915-K918 PolarHBondContact O-N 3.4Å; E915-T919 PolarHBondContact O-N 3.19Å; E915-T919 PolarHBondContact O-OG1 2.99Å |
| 916 | I | 70.5 | Confident | 70.6 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -49.9 | -51.5 | 168.2 | -72 | 169.6 | 0 | 0 | 0 | 110.5 | V911 S912 D913 K918 T919 V920 V941 E944 N945 | V911-I916 HydrophobicContact CB-CG1 4.37Å; V911-I916 HydrophobicContact CG1-CG1 3.94Å; S912-I916 PolarHBondContact O-N 3.48Å; D913-I916 PolarHBondContact O-N 2.84Å; I916-K918 PolarHBondContact O-N 3.45Å; I916-T919 PolarHBondContact O-N 2.93Å; I916-V920 PolarHBondContact O-N 2.7Å; I916-V941 HydrophobicContact CG2-CG2 4.27Å; I916-E944 HydrophobicContact CG1-CG 4.45Å; I916-E944 HydrophobicContact CG2-CB 3.89Å; I916-E944 HydrophobicContact CG2-CG 3.85Å; I916-N945 VanDerWaalsContact CD1-OD1 3.29Å; I916-N945 WeakPolarHBondContact CD1-OD1 3.47Å |
| 917 | L | 66.8 | Low | 69.9 | Low | 63 Ų | 63 | 62 Ų | 62 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.6 | -17.5 | -179.7 | -70.7 | 170.3 | 0 | 0 | 0 | 114.4 | D913 E915 T937 I940 V941 | D913-L917 WeakPolarHBondContact O-CB 3.44Å; D913-L917 VanDerWaalsContact O-CG 3.29Å; D913-L917 WeakPolarHBondContact O-CG 3.27Å; D913-L917 PolarHBondContact O-N 3.07Å; E915-L917 VanDerWaalsContact C-N 3.29Å; E915-L917 PolarHBondContact O-N 3.16Å; L917-T937 HydrophobicContact CD1-CG2 4.19Å; L917-T937 HydrophobicContact CD2-CG2 4.17Å; L917-I940 HydrophobicContact CD2-CB 4.04Å; L917-I940 HydrophobicContact CD2-CG2 3.84Å; L917-V941 HydrophobicContact CD1-CG2 4.05Å; L917-V941 HydrophobicContact CD2-CG2 4.07Å; L917-V941 HydrophobicContact CG-CG2 3.83Å |
| 918 | K | 64.3 | Low | 69 | Low | 156 Ų | 156 | 69 Ų | 69 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -89.5 | -30 | 175.1 | -74.3 | 176.7 | -174.4 | -178.6 | 0 | 112.9 | K914 E915 I916 | K914-K918 VanDerWaalsContact O-CD 3.24Å; K914-K918 WeakPolarHBondContact O-CD 3.4Å; K914-K918 WeakPolarHBondContact O-CE 3.2Å; K914-K918 VanDerWaalsContact O-CG 3.26Å; K914-K918 WeakPolarHBondContact O-CG 3.08Å; E915-K918 PolarHBondContact O-N 3.4Å; I916-K918 PolarHBondContact O-N 3.45Å |
| 919 | T | 62.1 | Low | 68.5 | Low | 62 Ų | 62 | 69.6 Ų | 69.6 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -99.8 | -25.6 | -174.5 | -55.6 | 0 | 0 | 0 | 0 | 113 | E915 I916 L987 L988 | E915-T919 PolarHBondContact O-N 3.19Å; E915-T919 PolarHBondContact O-OG1 2.99Å; I916-T919 PolarHBondContact O-N 2.93Å; T919-L987 HydrophobicContact CG2-CD2 4.05Å; T919-L987 WeakPolarHBondContact O-CA 3.22Å; T919-L988 PolarHBondContact O-N 3.48Å |
| 920 | V | 74.5 | Confident | 68.1 | Low | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.7 | -169.1 | -167 | 0 | 0 | 0 | 0 | 112.3 | I916 E944 R985 | I916-V920 PolarHBondContact O-N 2.7Å; V920-E944 HydrophobicContact CG2-CG 4.42Å; V920-R985 HydrophobicContact CG1-CG 3.61Å; V920-R985 VanDerWaalsContact CG2-NH2 3.34Å |
| 921 | Q | 81 | Confident | 68.1 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 118.4 | 170.7 | -173.7 | 178.2 | 55.1 | 0 | 0 | 110 | V923 A934 I940 K986 | Q921-V923 HydrophobicContact CG-CG1 3.99Å; Q921-A934 HydrophobicContact CG-CB 4.3Å; Q921-I940 HydrophobicContact CG-CD1 4.44Å; Q921-K986 PolarHBondContact N-O 3.3Å; Q921-K986 WeakPolarHBondContact O-CB 3.44Å; Q921-K986 PolarHBondContact O-N 2.95Å |
| 922 | W | 82.6 | Confident | 68.7 | Low | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.5 | 169.8 | -76.7 | 89.1 | 0 | 0 | 0 | 110.6 | Y935 I940 I943 E944 W947 F967 M970 I983 R985 | W922-Y935 HydrophobicContact CB-CD2 4.02Å; W922-Y935 PolarHBondContact O-N 2.87Å; W922-I940 HydrophobicContact CB-CG1 4.22Å; W922-I943 HydrophobicContact CD2-CB 4.39Å; W922-I943 HydrophobicContact CD2-CG2 3.47Å; W922-I943 VanDerWaalsContact CD2-CG2 3.47Å; W922-I943 HydrophobicContact CE3-CG2 3.72Å; W922-I943 HydrophobicContact CG-CB 4.29Å; W922-I943 HydrophobicContact CG-CG2 3.86Å; W922-I943 HydrophobicContact CH2-CG2 4.21Å; W922-I943 HydrophobicContact CZ2-CG2 4.01Å; W922-I943 HydrophobicContact CZ3-CG2 4.07Å; W922-E944 PolarHBondContact NE1-OE2 3.01Å; W922-W947 HydrophobicContact CH2-CB 4.3Å; W922-W947 AromaticContact CH2-CD1 3.95Å; W922-W947 AromaticContact CH2-CG 3.99Å; W922-W947 HydrophobicContact CH2-CG 3.99Å; W922-W947 HydrophobicContact CZ2-CB 3.77Å; W922-W947 HydrophobicContact CZ2-CD2 4.02Å; W922-W947 AromaticContact CZ2-CG 3.66Å; W922-W947 HydrophobicContact CZ2-CG 3.66Å; W922-F967 AromaticContact CH2-CD1 3.99Å; W922-F967 HydrophobicContact CH2-CD1 3.99Å; W922-F967 AromaticContact CH2-CE1 3.88Å; W922-F967 HydrophobicContact CH2-CE1 3.88Å; W922-F967 HydrophobicContact CZ2-CE1 4.33Å; W922-F967 HydrophobicContact CZ3-CE1 4.38Å; W922-M970 HydrophobicContact CH2-CE 4.04Å; W922-M970 HydrophobicContact CH2-SD 4.42Å; W922-M970 HydrophobicContact CZ3-CE 3.69Å; W922-M970 HydrophobicContact CZ3-SD 4.36Å; W922-I983 HydrophobicContact CE3-CD1 4.12Å; W922-I983 HydrophobicContact CZ3-CD1 3.74Å; W922-I983 HydrophobicContact CZ3-CG1 4.25Å; W922-R985 HydrophobicContact CD2-CB 4.03Å; W922-R985 HydrophobicContact CD2-CG 4.27Å; W922-R985 HydrophobicContact CE3-CB 4.09Å; W922-R985 HydrophobicContact CH2-CB 3.85Å; W922-R985 HydrophobicContact CH2-CG 4.44Å; W922-R985 HydrophobicContact CZ2-CB 3.74Å; W922-R985 HydrophobicContact CZ2-CG 3.83Å; W922-R985 HydrophobicContact CZ3-CB 4.01Å |
| 923 | V | 83.7 | Confident | 69.5 | Low | 12 Ų | 12 | 76.9 Ų | 76.9 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 148.1 | -178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | Q921 A932 K933 A934 I983 S984 | Q921-V923 HydrophobicContact CG-CG1 3.99Å; V923-A932 HydrophobicContact CB-CB 4.02Å; V923-A932 HydrophobicContact CG2-CB 3.79Å; V923-K933 CarbonylContact C-O 3.49Å; V923-K933 VanDerWaalsContact CA-O 3.28Å; V923-K933 WeakPolarHBondContact CA-O 3.25Å; V923-K933 WeakPolarHBondContact CB-O 3Å; V923-A934 HydrophobicContact CG1-CB 4.31Å; V923-I983 CarbonylContact O-C 3.44Å; V923-I983 WeakPolarHBondContact O-CA 3.43Å; V923-S984 WeakPolarHBondContact CG2-O 3.36Å; V923-S984 WeakPolarHBondContact CG2-OG 3.4Å; V923-S984 PolarHBondContact N-O 3.41Å; V923-S984 PolarHBondContact O-N 3.02Å |
| 924 | H | 82.9 | Confident | 70 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.9 | 175 | 74 | 89.7 | 0 | 0 | 0 | 111.2 | A932 K933 Y935 V981 I983 | H924-A932 CarbonylContact O-C 3.45Å; H924-A932 WeakPolarHBondContact O-CA 3.37Å; H924-K933 PolarHBondContact CD2-O 2.93Å; H924-K933 PolarHBondContact N-O 3.03Å; H924-K933 PolarHBondContact O-N 2.96Å; H924-Y935 HydrophobicContact CB-CE1 4.36Å; H924-Y935 HydrophobicContact CB-CE2 3.82Å; H924-Y935 WeakPolarHBondContact CB-OH 3.37Å; H924-V981 HydrophobicContact CB-CG1 3.97Å; H924-I983 HydrophobicContact CB-CG2 4.32Å |
| 925 | H | 79 | Confident | 71 | Confident | 55 Ų | 55 | 67 Ų | 67 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.6 | -173.6 | -66.3 | -102.1 | 0 | 0 | 0 | 110.4 | V981 K982 S984 | H925-V981 WeakPolarHBondContact O-CG1 3.25Å; H925-K982 HydrophobicContact CB-CB 4.43Å; H925-K982 PolarHBondContact CD2-O 2.95Å; H925-K982 PolarHBondContact N-O 3.49Å; H925-S984 PolarHBondContact NE2-OG 3.24Å |
| 926 | N | 72.1 | Confident | 71.7 | Confident | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | -66.5 | 123.1 | 177.9 | -178.6 | -37.2 | 0 | 0 | 0 | 110.2 | I928 T929 S930 K931 | N926-I928 PolarHBondContact O-N 2.8Å; N926-I928 VanDerWaalsContact O-N 3.08Å; N926-I928 PolarHBondContact OD1-N 3.32Å; N926-T929 PolarHBondContact O-N 3.1Å; N926-S930 PolarHBondContact O-N 2.91Å; N926-K931 PolarHBondContact N-O 3.38Å | ||
| 927 | P | 60.1 | Low | 71.8 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.5 | -173.3 | 26.2 | -35.4 | 0 | 0 | 0 | 114.8 | ||
| 928 | I | 57.2 | Low | 72 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 80% | 0.795 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -28.5 | 179.9 | -57.7 | 176.1 | 0 | 0 | 0 | 111.8 | N926 | N926-I928 PolarHBondContact O-N 2.8Å; N926-I928 VanDerWaalsContact O-N 3.08Å; N926-I928 PolarHBondContact OD1-N 3.32Å |
| 929 | T | 58.7 | Low | 72.6 | Confident | 78 Ų | 78 | 61 Ų | 61 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -7.8 | -169.1 | 59.8 | 0 | 0 | 0 | 0 | 115 | N926 K931 | N926-T929 PolarHBondContact O-N 3.1Å; T929-K931 PolarHBondContact O-N 3.29Å |
| 930 | S | 56.5 | Low | 73.5 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | trans | 53 | 15.7 | -176.1 | -59.7 | 0 | 0 | 0 | 0 | 114.9 | N926 | N926-S930 PolarHBondContact O-N 2.91Š| ||
| 931 | K | 62.4 | Low | 73.5 | Confident | 160 Ų | 160 | 59.4 Ų | 59.4 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | trans | -83 | 127.5 | 172.3 | -71.2 | -171.3 | 176.4 | -175.6 | 0 | 109.1 | N926 T929 | N926-K931 PolarHBondContact N-O 3.38Å; T929-K931 PolarHBondContact O-N 3.29Å | ||
| 932 | A | 74.1 | Confident | 73.2 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | V923 H924 | V923-A932 HydrophobicContact CB-CB 4.02Å; V923-A932 HydrophobicContact CG2-CB 3.79Å; H924-A932 CarbonylContact O-C 3.45Å; H924-A932 WeakPolarHBondContact O-CA 3.37Å |
| 933 | K | 78.3 | Confident | 73.1 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.6 | 164.8 | -171.9 | -175.9 | 178.1 | -176.8 | 0 | 108.4 | C644 V923 H924 | C644-K933 PolarHBondContact O-NZ 3.43Å; V923-K933 CarbonylContact C-O 3.49Å; V923-K933 VanDerWaalsContact CA-O 3.28Å; V923-K933 WeakPolarHBondContact CA-O 3.25Å; V923-K933 WeakPolarHBondContact CB-O 3Å; H924-K933 PolarHBondContact CD2-O 2.93Å; H924-K933 PolarHBondContact N-O 3.03Å; H924-K933 PolarHBondContact O-N 2.96Å |
| 934 | A | 78.3 | Confident | 73 | Confident | 30 Ų | 30 | 57 Ų | 57 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 143 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q921 V923 | Q921-A934 HydrophobicContact CG-CB 4.3Å; V923-A934 HydrophobicContact CG1-CB 4.31Å |
| 935 | Y | 81.1 | Confident | 72.5 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 170.7 | 164.7 | -73.5 | -77.8 | 0 | 0 | 0 | 110.7 | K642 W922 H924 A939 I943 F958 E972 I983 | K642-Y935 HydrophobicContact CG-CD1 4.32Å; K642-Y935 HydrophobicContact CG-CE1 4.29Å; K642-Y935 WeakPolarHBondContact O-CA 3.37Å; K642-Y935 WeakPolarHBondContact O-CD1 3.22Å; W922-Y935 HydrophobicContact CB-CD2 4.02Å; W922-Y935 PolarHBondContact O-N 2.87Å; H924-Y935 HydrophobicContact CB-CE1 4.36Å; H924-Y935 HydrophobicContact CB-CE2 3.82Å; H924-Y935 WeakPolarHBondContact CB-OH 3.37Å; Y935-A939 HydrophobicContact CD1-CB 4.37Å; Y935-A939 HydrophobicContact CG-CB 4.39Å; Y935-I943 HydrophobicContact CD1-CD1 4.28Å; Y935-I943 HydrophobicContact CD2-CD1 3.81Å; Y935-I943 HydrophobicContact CE1-CD1 4.39Å; Y935-I943 HydrophobicContact CE2-CD1 3.92Å; Y935-I943 HydrophobicContact CG-CD1 4Å; Y935-F958 HydrophobicContact CD1-CE1 4.33Å; Y935-F958 AromaticContact CD1-CZ 3.97Å; Y935-F958 HydrophobicContact CD1-CZ 3.97Å; Y935-F958 HydrophobicContact CE1-CE1 4.48Å; Y935-F958 AromaticContact CE1-CE2 3.92Å; Y935-F958 HydrophobicContact CE1-CE2 3.92Å; Y935-F958 AromaticContact CE1-CZ 3.77Å; Y935-F958 HydrophobicContact CE1-CZ 3.77Å; Y935-E972 PolarHBondContact OH-OE2 2.98Å; Y935-I983 HydrophobicContact CE2-CG2 4.14Å; Y935-I983 WeakPolarHBondContact OH-CG2 3.36Å |
| 936 | S | 80.1 | Confident | 72.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65 | 165.2 | 170 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | Q641 D938 A939 I940 | Q641-S936 WeakPolarHBondContact O-CB 3.43Å; Q641-S936 PolarHBondContact O-OG 3.02Å; S936-D938 VanDerWaalsContact C-N 3.27Å; S936-D938 PolarHBondContact O-N 2.87Å; S936-A939 PolarHBondContact O-N 2.85Å; S936-A939 WeakPolarHBondContact OG-CB 3.49Å; S936-A939 PolarHBondContact OG-N 2.81Å; S936-I940 VanDerWaalsContact O-CG1 3.24Å; S936-I940 WeakPolarHBondContact O-CG1 3.33Å; S936-I940 PolarHBondContact O-N 2.83Å |
| 937 | T | 73 | Confident | 72.6 | Confident | 77 Ų | 77 | 56 Ų | 56 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -50.9 | -49.4 | 173.8 | 37.9 | 0 | 0 | 0 | 0 | 111.8 | L917 A939 I940 V941 | L917-T937 HydrophobicContact CD1-CG2 4.19Å; L917-T937 HydrophobicContact CD2-CG2 4.17Å; T937-A939 PolarHBondContact O-N 2.96Å; T937-I940 WeakPolarHBondContact O-CB 3.05Å; T937-I940 PolarHBondContact O-N 2.96Å; T937-I940 VanDerWaalsContact O-N 3.14Å; T937-V941 WeakPolarHBondContact O-CG2 3.18Å; T937-V941 PolarHBondContact O-N 3.28Å |
| 938 | D | 70 | Confident | 73.1 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.3 | -37.8 | -171 | -47.1 | 2.8 | 0 | 0 | 0 | 110 | I640 S936 F942 | I640-D938 HydrophobicContact CG2-CB 4.27Å; S936-D938 VanDerWaalsContact C-N 3.27Å; S936-D938 PolarHBondContact O-N 2.87Å; D938-F942 VanDerWaalsContact O-CB 3.32Å; D938-F942 WeakPolarHBondContact O-CB 3.49Å; D938-F942 PolarHBondContact O-N 2.71Å |
| 939 | A | 76.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I640 Y935 S936 T937 V941 F942 I943 F958 | I640-A939 HydrophobicContact CG2-CB 3.81Å; Y935-A939 HydrophobicContact CD1-CB 4.37Å; Y935-A939 HydrophobicContact CG-CB 4.39Å; S936-A939 PolarHBondContact O-N 2.85Å; S936-A939 WeakPolarHBondContact OG-CB 3.49Å; S936-A939 PolarHBondContact OG-N 2.81Å; T937-A939 PolarHBondContact O-N 2.96Å; A939-V941 VanDerWaalsContact C-N 3.34Å; A939-V941 PolarHBondContact O-N 3.27Å; A939-F942 PolarHBondContact O-N 2.8Å; A939-I943 HydrophobicContact CB-CD1 4.47Å; A939-I943 VanDerWaalsContact O-CB 3.29Å; A939-I943 WeakPolarHBondContact O-CB 3.31Å; A939-I943 WeakPolarHBondContact O-CD1 3.41Å; A939-I943 WeakPolarHBondContact O-CG1 3.24Å; A939-I943 PolarHBondContact O-N 3.45Å; A939-F958 HydrophobicContact CB-CE1 3.76Å; A939-F958 HydrophobicContact CB-CZ 4.33Å |
| 940 | I | 80.6 | Confident | 73.8 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 176.3 | -71.2 | 165.6 | 0 | 0 | 0 | 110.3 | L917 Q921 W922 S936 T937 E944 | L917-I940 HydrophobicContact CD2-CB 4.04Å; L917-I940 HydrophobicContact CD2-CG2 3.84Å; Q921-I940 HydrophobicContact CG-CD1 4.44Å; W922-I940 HydrophobicContact CB-CG1 4.22Å; S936-I940 VanDerWaalsContact O-CG1 3.24Å; S936-I940 WeakPolarHBondContact O-CG1 3.33Å; S936-I940 PolarHBondContact O-N 2.83Å; T937-I940 WeakPolarHBondContact O-CB 3.05Å; T937-I940 PolarHBondContact O-N 2.96Å; T937-I940 VanDerWaalsContact O-N 3.14Å; I940-E944 VanDerWaalsContact O-CB 3.23Å; I940-E944 WeakPolarHBondContact O-CB 3.49Å; I940-E944 PolarHBondContact O-N 3.46Å |
| 941 | V | 74.4 | Confident | 74.6 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | D913 I916 L917 T937 A939 N945 | D913-V941 HydrophobicContact CB-CG1 4.18Å; D913-V941 HydrophobicContact CB-CG2 3.99Å; D913-V941 WeakPolarHBondContact OD1-CG1 3.43Å; I916-V941 HydrophobicContact CG2-CG2 4.27Å; L917-V941 HydrophobicContact CD1-CG2 4.05Å; L917-V941 HydrophobicContact CD2-CG2 4.07Å; L917-V941 HydrophobicContact CG-CG2 3.83Å; T937-V941 WeakPolarHBondContact O-CG2 3.18Å; T937-V941 PolarHBondContact O-N 3.28Å; A939-V941 VanDerWaalsContact C-N 3.34Å; A939-V941 PolarHBondContact O-N 3.27Å; V941-N945 WeakPolarHBondContact O-CB 3.44Å; V941-N945 PolarHBondContact O-N 3.1Å; V941-N945 PolarHBondContact O-ND2 3.38Å |
| 942 | F | 75.1 | Confident | 75.3 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 179.3 | -175.1 | -84.9 | 0 | 0 | 0 | 112.3 | W632 I640 D938 A939 A946 V954 I956 | W632-F942 AromaticContact CE2-CE2 3.71Å; W632-F942 AromaticContact CE2-CZ 3.7Å; W632-F942 HydrophobicContact CH2-CD2 4.14Å; W632-F942 HydrophobicContact CH2-CE2 4.34Å; W632-F942 HydrophobicContact CZ2-CD1 4.09Å; W632-F942 AromaticContact CZ2-CD2 3.57Å; W632-F942 HydrophobicContact CZ2-CD2 3.57Å; W632-F942 HydrophobicContact CZ2-CE1 4.03Å; W632-F942 AromaticContact CZ2-CE2 3.5Å; W632-F942 HydrophobicContact CZ2-CE2 3.5Å; W632-F942 VanDerWaalsContact CZ2-CE2 3.5Å; W632-F942 AromaticContact CZ2-CG 3.88Å; W632-F942 HydrophobicContact CZ2-CG 3.88Å; W632-F942 AromaticContact CZ2-CZ 3.75Å; W632-F942 HydrophobicContact CZ2-CZ 3.75Å; W632-F942 AromaticContact NE1-CE1 3.83Å; W632-F942 AromaticContact NE1-CE2 3.75Å; W632-F942 AromaticContact NE1-CZ 3.29Å; W632-F942 VanDerWaalsContact NE1-CZ 3.29Å; I640-F942 HydrophobicContact CD1-CB 4.17Å; I640-F942 HydrophobicContact CD1-CD2 4.01Å; I640-F942 HydrophobicContact CD1-CG 4.04Å; D938-F942 VanDerWaalsContact O-CB 3.32Å; D938-F942 WeakPolarHBondContact O-CB 3.49Å; D938-F942 PolarHBondContact O-N 2.71Å; A939-F942 PolarHBondContact O-N 2.8Å; F942-A946 WeakPolarHBondContact O-CB 3.44Å; F942-A946 PolarHBondContact O-N 2.78Å; F942-V954 HydrophobicContact CE1-CG1 4.44Å; F942-V954 HydrophobicContact CE1-CG2 3.7Å; F942-V954 HydrophobicContact CZ-CG2 4Å; F942-I956 HydrophobicContact CD1-CD1 3.68Å; F942-I956 HydrophobicContact CE1-CB 4.3Å; F942-I956 HydrophobicContact CE1-CD1 3.81Å; F942-I956 HydrophobicContact CE1-CG1 4.38Å; F942-I956 HydrophobicContact CG-CD1 4.37Å |
| 943 | I | 80.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | -179.6 | -62.6 | 166.1 | 0 | 0 | 0 | 110.7 | W922 Y935 A939 W947 F958 I965 F967 | W922-I943 HydrophobicContact CD2-CB 4.39Å; W922-I943 HydrophobicContact CD2-CG2 3.47Å; W922-I943 VanDerWaalsContact CD2-CG2 3.47Å; W922-I943 HydrophobicContact CE3-CG2 3.72Å; W922-I943 HydrophobicContact CG-CB 4.29Å; W922-I943 HydrophobicContact CG-CG2 3.86Å; W922-I943 HydrophobicContact CH2-CG2 4.21Å; W922-I943 HydrophobicContact CZ2-CG2 4.01Å; W922-I943 HydrophobicContact CZ3-CG2 4.07Å; Y935-I943 HydrophobicContact CD1-CD1 4.28Å; Y935-I943 HydrophobicContact CD2-CD1 3.81Å; Y935-I943 HydrophobicContact CE1-CD1 4.39Å; Y935-I943 HydrophobicContact CE2-CD1 3.92Å; Y935-I943 HydrophobicContact CG-CD1 4Å; A939-I943 HydrophobicContact CB-CD1 4.47Å; A939-I943 VanDerWaalsContact O-CB 3.29Å; A939-I943 WeakPolarHBondContact O-CB 3.31Å; A939-I943 WeakPolarHBondContact O-CD1 3.41Å; A939-I943 WeakPolarHBondContact O-CG1 3.24Å; A939-I943 PolarHBondContact O-N 3.45Å; I943-W947 VanDerWaalsContact O-CB 3.28Å; I943-W947 WeakPolarHBondContact O-CB 3.48Å; I943-W947 PolarHBondContact O-N 3.49Å; I943-F958 HydrophobicContact CD1-CZ 4.27Å; I943-I965 HydrophobicContact CD1-CD1 3.71Å; I943-I965 HydrophobicContact CG1-CD1 3.64Å; I943-F967 HydrophobicContact CG2-CE1 3.73Å; I943-F967 HydrophobicContact CG2-CZ 4.05Å |
| 944 | E | 82.2 | Confident | 75.7 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 178.3 | -179.1 | 61.2 | -172.4 | 0 | 0 | 111.9 | I916 V920 W922 I940 W947 R948 R985 | I916-E944 HydrophobicContact CG1-CG 4.45Å; I916-E944 HydrophobicContact CG2-CB 3.89Å; I916-E944 HydrophobicContact CG2-CG 3.85Å; V920-E944 HydrophobicContact CG2-CG 4.42Å; W922-E944 PolarHBondContact NE1-OE2 3.01Å; I940-E944 VanDerWaalsContact O-CB 3.23Å; I940-E944 WeakPolarHBondContact O-CB 3.49Å; I940-E944 PolarHBondContact O-N 3.46Å; E944-W947 PolarHBondContact O-N 3.14Å; E944-R948 HydrophobicContact CG-CG 4.27Å; E944-R948 WeakPolarHBondContact O-CB 3.31Å; E944-R948 VanDerWaalsContact O-CG 3.28Å; E944-R948 WeakPolarHBondContact O-CG 3.48Å; E944-R948 PolarHBondContact O-N 3.24Å; E944-R948 WeakPolarHBondContact OE1-CD 3.4Å; E944-R948 WeakPolarHBondContact OE1-CG 3.27Å; E944-R985 IonicContact OE1-CZ 2.79Å; E944-R985 IonicContact OE1-NE 2.75Å; E944-R985 PolarHBondContact OE1-NE 3.42Å; E944-R985 IonicContact OE1-NH2 2.74Å; E944-R985 PolarHBondContact OE1-NH2 2.94Å; E944-R985 WeakPolarHBondContact OE2-CD 3.42Å; E944-R985 IonicContact OE2-CZ 3.42Å; E944-R985 IonicContact OE2-NE 3.1Å; E944-R985 PolarHBondContact OE2-NE 3.23Å; E944-R985 IonicContact OE2-NH2 3.28Å |
| 945 | N | 72.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.5 | -78.6 | -34.7 | 0 | 0 | 0 | 111.7 | W632 I916 V941 W947 R948 M949 | W632-N945 HydrophobicContact CH2-CB 3.87Å; W632-N945 HydrophobicContact CZ3-CB 4.42Å; I916-N945 VanDerWaalsContact CD1-OD1 3.29Å; I916-N945 WeakPolarHBondContact CD1-OD1 3.47Å; V941-N945 WeakPolarHBondContact O-CB 3.44Å; V941-N945 PolarHBondContact O-N 3.1Å; V941-N945 PolarHBondContact O-ND2 3.38Å; N945-W947 VanDerWaalsContact C-N 3.29Å; N945-W947 PolarHBondContact O-N 3.45Å; N945-R948 PolarHBondContact O-N 3.15Å; N945-R948 PolarHBondContact OD1-NH1 3.35Å; N945-M949 WeakPolarHBondContact O-CB 3.41Å; N945-M949 VanDerWaalsContact O-CG 3.27Å; N945-M949 WeakPolarHBondContact O-CG 3.38Å; N945-M949 PolarHBondContact O-N 3.44Å |
| 946 | A | 75.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -38.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W632 F942 L951 V954 F967 | W632-A946 HydrophobicContact CZ2-CB 3.92Å; F942-A946 WeakPolarHBondContact O-CB 3.44Å; F942-A946 PolarHBondContact O-N 2.78Å; A946-L951 HydrophobicContact CB-CD1 4.07Å; A946-L951 WeakPolarHBondContact O-CB 3.4Å; A946-L951 PolarHBondContact O-N 2.96Å; A946-V954 HydrophobicContact CB-CB 4.33Å; A946-V954 HydrophobicContact CB-CG1 4.16Å; A946-V954 HydrophobicContact CB-CG2 4.34Å; A946-F967 HydrophobicContact CB-CE2 4.06Å; A946-F967 HydrophobicContact CB-CZ 3.95Å |
| 947 | W | 76.1 | Confident | 75.5 | Confident | 102 Ų | 102 | 53.5 Ų | 53.5 | 39% | 0.386 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71 | -43.3 | 176.6 | -177.3 | 74.7 | 0 | 0 | 0 | 112.7 | W922 I943 E944 N945 M949 K950 F967 R985 | W922-W947 HydrophobicContact CH2-CB 4.3Å; W922-W947 AromaticContact CH2-CD1 3.95Å; W922-W947 AromaticContact CH2-CG 3.99Å; W922-W947 HydrophobicContact CH2-CG 3.99Å; W922-W947 HydrophobicContact CZ2-CB 3.77Å; W922-W947 HydrophobicContact CZ2-CD2 4.02Å; W922-W947 AromaticContact CZ2-CG 3.66Å; W922-W947 HydrophobicContact CZ2-CG 3.66Å; I943-W947 VanDerWaalsContact O-CB 3.28Å; I943-W947 WeakPolarHBondContact O-CB 3.48Å; I943-W947 PolarHBondContact O-N 3.49Å; E944-W947 PolarHBondContact O-N 3.14Å; N945-W947 VanDerWaalsContact C-N 3.29Å; N945-W947 PolarHBondContact O-N 3.45Å; W947-M949 VanDerWaalsContact C-N 3.28Å; W947-M949 PolarHBondContact O-N 3.07Å; W947-K950 WeakPolarHBondContact O-CA 3.31Å; W947-K950 PolarHBondContact O-N 3.06Å; W947-F967 HydrophobicContact CB-CD1 4.17Å; W947-F967 HydrophobicContact CB-CE1 3.77Å; W947-F967 HydrophobicContact CB-CZ 4.15Å; W947-F967 AromaticContact CD1-CD1 3.63Å; W947-F967 HydrophobicContact CG-CD1 4.27Å; W947-F967 HydrophobicContact CG-CE1 4.32Å; W947-R985 VanDerWaalsContact CZ3-CZ 3.44Å |
| 948 | R | 71.1 | Confident | 75.8 | Confident | 96 Ų | 96 | 49.8 Ų | 49.8 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.9 | -32.3 | 175.3 | -73.2 | 176.8 | 69.1 | -118.2 | -4.9 | 112.1 | E944 N945 K950 | E944-R948 HydrophobicContact CG-CG 4.27Å; E944-R948 WeakPolarHBondContact O-CB 3.31Å; E944-R948 VanDerWaalsContact O-CG 3.28Å; E944-R948 WeakPolarHBondContact O-CG 3.48Å; E944-R948 PolarHBondContact O-N 3.24Å; E944-R948 WeakPolarHBondContact OE1-CD 3.4Å; E944-R948 WeakPolarHBondContact OE1-CG 3.27Å; N945-R948 PolarHBondContact O-N 3.15Å; N945-R948 PolarHBondContact OD1-NH1 3.35Å; R948-K950 PolarHBondContact O-N 3.19Å |
| 949 | M | 64.6 | Low | 76 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 0.9 | 169.4 | -71.2 | 173.5 | 63.7 | 0 | 0 | 113.9 | F628 W632 Y861 N945 W947 L951 | F628-M949 HydrophobicContact CB-CE 4.14Å; W632-M949 HydrophobicContact CE3-CE 4.29Å; W632-M949 HydrophobicContact CE3-SD 3.88Å; W632-M949 HydrophobicContact CZ3-SD 3.99Å; Y861-M949 VanDerWaalsContact OH-CE 3.3Å; Y861-M949 WeakPolarHBondContact OH-CE 3.42Å; N945-M949 WeakPolarHBondContact O-CB 3.41Å; N945-M949 VanDerWaalsContact O-CG 3.27Å; N945-M949 WeakPolarHBondContact O-CG 3.38Å; N945-M949 PolarHBondContact O-N 3.44Å; W947-M949 VanDerWaalsContact C-N 3.28Å; W947-M949 PolarHBondContact O-N 3.07Å; M949-L951 HydrophobicContact CB-CG 4.18Å; M949-L951 PolarHBondContact O-N 3.45Å |
| 950 | K | 67.1 | Low | 75.7 | Confident | 186 Ų | 186 | 53.7 Ų | 53.7 | 81% | 0.809 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 25.7 | 178.7 | -53.5 | 176.4 | -175.9 | 170.7 | 0 | 114.3 | W947 R948 | W947-K950 WeakPolarHBondContact O-CA 3.31Å; W947-K950 PolarHBondContact O-N 3.06Å; R948-K950 PolarHBondContact O-N 3.19Å |
| 951 | L | 71.8 | Confident | 75.4 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | trans | -63.9 | 136 | 175.2 | -60.5 | 179.5 | 0 | 0 | 0 | 110.2 | A946 M949 F967 | A946-L951 HydrophobicContact CB-CD1 4.07Å; A946-L951 WeakPolarHBondContact O-CB 3.4Å; A946-L951 PolarHBondContact O-N 2.96Å; M949-L951 HydrophobicContact CB-CG 4.18Å; M949-L951 PolarHBondContact O-N 3.45Å; L951-F967 WeakPolarHBondContact O-CD2 3.45Å | ||
| 952 | K | 77.9 | Confident | 75.6 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -74.4 | -38.8 | 178.5 | -70.2 | 170.2 | 166.4 | -89.6 | 0 | 112.3 | F967 E968 | K952-F967 PolarHBondContact O-N 2.73Å; K952-E968 HydrophobicContact CB-CG 4.18Å; K952-E968 HydrophobicContact CG-CG 4.29Å; K952-E968 WeakPolarHBondContact CG-OE1 3.31Å; K952-E968 IonicContact NZ-OE1 3.66Å; K952-E968 PolarHBondContact NZ-OE1 3.16Å |
| 953 | K | 81.4 | Confident | 75.9 | Confident | 118 Ų | 118 | 58.1 Ų | 58.1 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.3 | 174.8 | 59.7 | 161.6 | -170.8 | 149.2 | 0 | 109.6 | I964 I965 | K953-I964 HydrophobicContact CB-CG2 4.35Å; K953-I965 CarbonylContact C-O 3.48Å; K953-I965 WeakPolarHBondContact CA-O 3.44Å |
| 954 | V | 78.7 | Confident | 76 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 133.5 | 169.7 | 66.1 | 0 | 0 | 0 | 0 | 108.7 | W632 F942 A946 I965 F967 | W632-V954 VanDerWaalsContact NE1-CG2 3.34Å; F942-V954 HydrophobicContact CE1-CG1 4.44Å; F942-V954 HydrophobicContact CE1-CG2 3.7Å; F942-V954 HydrophobicContact CZ-CG2 4Å; A946-V954 HydrophobicContact CB-CB 4.33Å; A946-V954 HydrophobicContact CB-CG1 4.16Å; A946-V954 HydrophobicContact CB-CG2 4.34Å; V954-I965 HydrophobicContact CG1-CB 3.83Å; V954-I965 HydrophobicContact CG1-CG2 4.24Å; V954-I965 PolarHBondContact N-O 3.13Å; V954-I965 PolarHBondContact O-N 3.18Å; V954-F967 HydrophobicContact CB-CE2 4.19Å; V954-F967 HydrophobicContact CG1-CE2 3.58Å; V954-F967 HydrophobicContact CG1-CZ 3.9Å |
| 955 | D | 78.1 | Confident | 76.1 | Confident | 69 Ų | 69 | 60 Ų | 60 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.9 | 175.3 | -52.8 | -39.1 | 0 | 0 | 0 | 108 | S636 I964 | S636-D955 WeakPolarHBondContact CB-O 3.45Å; D955-I964 WeakPolarHBondContact OD1-CG1 3.22Å; D955-I964 WeakPolarHBondContact OD1-CG2 3.38Å |
| 956 | I | 79.3 | Confident | 76.6 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 138 | -174.2 | -179.9 | 160.7 | 0 | 0 | 0 | 111.1 | I640 F942 F958 H963 I965 | I640-I956 HydrophobicContact CB-CD1 4.5Å; I640-I956 HydrophobicContact CD1-CD1 3.89Å; I640-I956 HydrophobicContact CD1-CG1 4.49Å; F942-I956 HydrophobicContact CD1-CD1 3.68Å; F942-I956 HydrophobicContact CE1-CB 4.3Å; F942-I956 HydrophobicContact CE1-CD1 3.81Å; F942-I956 HydrophobicContact CE1-CG1 4.38Å; F942-I956 HydrophobicContact CG-CD1 4.37Å; I956-F958 HydrophobicContact CD1-CD1 4.1Å; I956-F958 HydrophobicContact CD1-CE1 3.44Å; I956-F958 VanDerWaalsContact CD1-CE1 3.44Å; I956-F958 HydrophobicContact CD1-CE2 4.09Å; I956-F958 HydrophobicContact CD1-CZ 3.44Å; I956-F958 VanDerWaalsContact CD1-CZ 3.44Å; I956-F958 HydrophobicContact CG1-CD1 4.24Å; I956-F958 HydrophobicContact CG1-CD2 4.45Å; I956-F958 HydrophobicContact CG1-CE1 4.05Å; I956-F958 HydrophobicContact CG1-CE2 4.29Å; I956-F958 HydrophobicContact CG1-CG 4.43Å; I956-F958 HydrophobicContact CG1-CZ 4.08Å; I956-F958 HydrophobicContact CG2-CD2 3.96Å; I956-F958 HydrophobicContact CG2-CE2 3.63Å; I956-F958 HydrophobicContact CG2-CZ 4.11Å; I956-H963 HydrophobicContact CG2-CB 4.16Å; I956-H963 PolarHBondContact N-O 2.88Å; I956-H963 PolarHBondContact O-N 3.42Å; I956-H963 VanDerWaalsContact O-O 3.11Å; I956-I965 HydrophobicContact CG2-CD1 4.04Å; I956-I965 HydrophobicContact CG2-CG1 4.16Å |
| 957 | L | 77.6 | Confident | 77 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.4 | 169.1 | -74.9 | 159 | 0 | 0 | 0 | 109.3 | Q637 N639 I640 P962 | Q637-L957 WeakPolarHBondContact O-CD1 3.42Å; N639-L957 HydrophobicContact CB-CB 4.37Å; N639-L957 PolarHBondContact OD1-O 3.24Å; I640-L957 PolarHBondContact N-O 2.85Å; L957-P962 HydrophobicContact CD2-CB 4.11Å |
| 958 | F | 79.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.2 | 170.2 | -72.9 | -55.1 | 0 | 0 | 0 | 110.5 | I640 K642 Y935 A939 I943 I956 N960 Q961 H963 I965 E972 | I640-F958 HydrophobicContact CB-CD1 4.32Å; I640-F958 HydrophobicContact CB-CE1 4.45Å; I640-F958 HydrophobicContact CG2-CD1 4.4Å; I640-F958 HydrophobicContact CG2-CE1 4.22Å; I640-F958 VanDerWaalsContact O-CA 3.3Å; I640-F958 WeakPolarHBondContact O-CA 3.32Å; K642-F958 HydrophobicContact CB-CB 4.12Å; K642-F958 HydrophobicContact CB-CD1 4.27Å; K642-F958 HydrophobicContact CB-CG 4.32Å; K642-F958 HydrophobicContact CD-CB 3.97Å; K642-F958 HydrophobicContact CD-CD2 4.31Å; K642-F958 HydrophobicContact CD-CG 4.18Å; K642-F958 HydrophobicContact CG-CB 4.25Å; K642-F958 HydrophobicContact CG-CD1 4.33Å; K642-F958 HydrophobicContact CG-CG 4.16Å; Y935-F958 HydrophobicContact CD1-CE1 4.33Å; Y935-F958 AromaticContact CD1-CZ 3.97Å; Y935-F958 HydrophobicContact CD1-CZ 3.97Å; Y935-F958 HydrophobicContact CE1-CE1 4.48Å; Y935-F958 AromaticContact CE1-CE2 3.92Å; Y935-F958 HydrophobicContact CE1-CE2 3.92Å; Y935-F958 AromaticContact CE1-CZ 3.77Å; Y935-F958 HydrophobicContact CE1-CZ 3.77Å; A939-F958 HydrophobicContact CB-CE1 3.76Å; A939-F958 HydrophobicContact CB-CZ 4.33Å; I943-F958 HydrophobicContact CD1-CZ 4.27Å; I956-F958 HydrophobicContact CD1-CD1 4.1Å; I956-F958 HydrophobicContact CD1-CE1 3.44Å; I956-F958 VanDerWaalsContact CD1-CE1 3.44Å; I956-F958 HydrophobicContact CD1-CE2 4.09Å; I956-F958 HydrophobicContact CD1-CZ 3.44Å; I956-F958 VanDerWaalsContact CD1-CZ 3.44Å; I956-F958 HydrophobicContact CG1-CD1 4.24Å; I956-F958 HydrophobicContact CG1-CD2 4.45Å; I956-F958 HydrophobicContact CG1-CE1 4.05Å; I956-F958 HydrophobicContact CG1-CE2 4.29Å; I956-F958 HydrophobicContact CG1-CG 4.43Å; I956-F958 HydrophobicContact CG1-CZ 4.08Å; I956-F958 HydrophobicContact CG2-CD2 3.96Å; I956-F958 HydrophobicContact CG2-CE2 3.63Å; I956-F958 HydrophobicContact CG2-CZ 4.11Å; F958-N960 PolarHBondContact O-N 3.29Å; F958-Q961 PolarHBondContact N-O 2.93Å; F958-Q961 WeakPolarHBondContact O-CB 3.4Å; F958-Q961 PolarHBondContact O-N 2.88Å; F958-H963 HydrophobicContact CD2-CB 4.05Å; F958-H963 AromaticContact CD2-CG 3.92Å; F958-H963 AromaticContact CD2-ND1 3.97Å; F958-I965 HydrophobicContact CE2-CD1 4.02Å; F958-I965 HydrophobicContact CZ-CD1 4.15Å; F958-E972 WeakPolarHBondContact CD2-OE1 3.18Å; F958-E972 WeakPolarHBondContact CE2-OE1 2.97Å |
| 959 | D | 74.8 | Confident | 77.7 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 45% | 0.449 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.1 | 179.9 | -51.2 | -32.1 | 0 | 0 | 0 | 112.5 | N639 I640 Q641 K642 Q961 | N639-D959 PolarHBondContact OD1-N 2.88Å; N639-D959 VanDerWaalsContact OD1-N 3.12Å; I640-D959 PolarHBondContact O-N 3.07Å; Q641-D959 WeakPolarHBondContact CA-OD1 3.5Å; K642-D959 WeakPolarHBondContact CB-OD2 3.28Å; K642-D959 PolarHBondContact N-OD1 2.85Å; D959-Q961 PolarHBondContact O-N 3.24Å |
| 960 | N | 70.7 | Confident | 78.6 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 12.7 | -172.5 | -70.9 | -20.7 | 0 | 0 | 0 | 116.1 | N639 F958 | N639-N960 WeakPolarHBondContact CB-OD1 3.37Å; N639-N960 PolarHBondContact ND2-OD1 2.88Å; N639-N960 PolarHBondContact OD1-N 2.81Å; F958-N960 PolarHBondContact O-N 3.29Å |
| 961 | Q | 73.6 | Confident | 79.5 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.1 | 175.5 | -60.8 | -174.3 | 10.8 | 0 | 0 | 111.9 | F958 D959 H963 N974 | F958-Q961 PolarHBondContact N-O 2.93Å; F958-Q961 WeakPolarHBondContact O-CB 3.4Å; F958-Q961 PolarHBondContact O-N 2.88Å; D959-Q961 PolarHBondContact O-N 3.24Å; Q961-H963 PolarHBondContact O-N 3.22Å; Q961-H963 PolarHBondContact O-ND1 3.42Å; Q961-N974 PolarHBondContact OE1-ND2 2.83Å |
| 962 | P | 79.8 | Confident | 80.1 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128 | 178.6 | 28.6 | -33.9 | 0 | 0 | 0 | 111.4 | L957 I975 | L957-P962 HydrophobicContact CD2-CB 4.11Å; P962-I975 HydrophobicContact CB-CD1 4.15Å; P962-I975 HydrophobicContact CG-CB 4.28Å; P962-I975 PolarHBondContact O-N 2.58Å |
| 963 | H | 80.1 | Confident | 80.4 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 154.9 | 176.2 | -63.7 | 75.4 | 0 | 0 | 0 | 110.4 | K642 I956 F958 Q961 E972 Y973 N974 | K642-H963 PolarHBondContact NZ-NE2 2.86Å; I956-H963 HydrophobicContact CG2-CB 4.16Å; I956-H963 PolarHBondContact N-O 2.88Å; I956-H963 PolarHBondContact O-N 3.42Å; I956-H963 VanDerWaalsContact O-O 3.11Å; F958-H963 HydrophobicContact CD2-CB 4.05Å; F958-H963 AromaticContact CD2-CG 3.92Å; F958-H963 AromaticContact CD2-ND1 3.97Å; Q961-H963 PolarHBondContact O-N 3.22Å; Q961-H963 PolarHBondContact O-ND1 3.42Å; H963-E972 HydrophobicContact CB-CG 4.26Å; H963-E972 IonicContact CD2-OE1 2.99Å; H963-E972 PolarHBondContact CD2-OE1 3.34Å; H963-E972 IonicContact CG-OE1 3.27Å; H963-E972 IonicContact NE2-OE1 3.56Å; H963-E972 PolarHBondContact NE2-OE1 2.92Å; H963-Y973 CarbonylContact C-O 3.59Å; H963-Y973 WeakPolarHBondContact CA-O 3.34Å; H963-N974 VanDerWaalsContact CD2-CB 3.47Å; H963-N974 WeakPolarHBondContact CD2-CB 3.28Å; H963-N974 PolarHBondContact CE1-ND2 2.93Å; H963-N974 PolarHBondContact NE2-ND2 3.32Å |
| 964 | I | 84 | Confident | 80.5 | Confident | 43 Ų | 43 | 50 Ų | 50 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.8 | 173.7 | -52.8 | -179.1 | 0 | 0 | 0 | 107.6 | K953 D955 E972 Y973 I975 | K953-I964 HydrophobicContact CB-CG2 4.35Å; D955-I964 WeakPolarHBondContact OD1-CG1 3.22Å; D955-I964 WeakPolarHBondContact OD1-CG2 3.38Å; I964-E972 CarbonylContact O-C 3.58Å; I964-E972 WeakPolarHBondContact O-CA 3.4Å; I964-Y973 HydrophobicContact CD1-CD1 4.45Å; I964-Y973 PolarHBondContact N-O 3.38Å; I964-Y973 PolarHBondContact O-N 3.34Å; I964-I975 HydrophobicContact CD1-CD1 3.83Å; I964-I975 HydrophobicContact CD1-CG1 4.12Å; I964-I975 HydrophobicContact CG1-CD1 3.77Å; I964-I975 HydrophobicContact CG1-CG1 3.95Å |
| 965 | I | 83.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.8 | 169.1 | -69.4 | 174.5 | 0 | 0 | 0 | 108 | I943 K953 V954 I956 F958 F967 E972 I983 | I943-I965 HydrophobicContact CD1-CD1 3.71Å; I943-I965 HydrophobicContact CG1-CD1 3.64Å; K953-I965 CarbonylContact C-O 3.48Å; K953-I965 WeakPolarHBondContact CA-O 3.44Å; V954-I965 HydrophobicContact CG1-CB 3.83Å; V954-I965 HydrophobicContact CG1-CG2 4.24Å; V954-I965 PolarHBondContact N-O 3.13Å; V954-I965 PolarHBondContact O-N 3.18Å; I956-I965 HydrophobicContact CG2-CD1 4.04Å; I956-I965 HydrophobicContact CG2-CG1 4.16Å; F958-I965 HydrophobicContact CE2-CD1 4.02Å; F958-I965 HydrophobicContact CZ-CD1 4.15Å; I965-F967 HydrophobicContact CG2-CD1 4.1Å; I965-F967 HydrophobicContact CG2-CD2 4.36Å; I965-F967 HydrophobicContact CG2-CE1 3.75Å; I965-F967 HydrophobicContact CG2-CE2 4.05Å; I965-F967 HydrophobicContact CG2-CG 4.41Å; I965-F967 HydrophobicContact CG2-CZ 3.74Å; I965-E972 HydrophobicContact CG1-CB 4.24Å; I965-E972 HydrophobicContact CG1-CG 4.07Å; I965-I983 HydrophobicContact CG2-CD1 3.7Å |
| 966 | N | 82.9 | Confident | 80.1 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.2 | 174.2 | -175.5 | -64.7 | 0 | 0 | 0 | 109.3 | E968 K969 M970 Q971 | N966-E968 PolarHBondContact OD1-N 3Å; N966-E968 VanDerWaalsContact OD1-N 3.16Å; N966-K969 WeakPolarHBondContact OD1-CB 3.14Å; N966-K969 WeakPolarHBondContact OD1-CG 3.1Å; N966-K969 PolarHBondContact OD1-N 2.92Å; N966-M970 WeakPolarHBondContact O-CA 3.41Å; N966-M970 PolarHBondContact O-N 3.24Å; N966-Q971 PolarHBondContact N-O 3.27Å; N966-Q971 PolarHBondContact O-N 3.26Å |
| 967 | F | 83.6 | Confident | 79.8 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.7 | -177.2 | -64.7 | -74.5 | 0 | 0 | 0 | 112.5 | W922 I943 A946 W947 L951 K952 V954 I965 K969 M970 | W922-F967 AromaticContact CH2-CD1 3.99Å; W922-F967 HydrophobicContact CH2-CD1 3.99Å; W922-F967 AromaticContact CH2-CE1 3.88Å; W922-F967 HydrophobicContact CH2-CE1 3.88Å; W922-F967 HydrophobicContact CZ2-CE1 4.33Å; W922-F967 HydrophobicContact CZ3-CE1 4.38Å; I943-F967 HydrophobicContact CG2-CE1 3.73Å; I943-F967 HydrophobicContact CG2-CZ 4.05Å; A946-F967 HydrophobicContact CB-CE2 4.06Å; A946-F967 HydrophobicContact CB-CZ 3.95Å; W947-F967 HydrophobicContact CB-CD1 4.17Å; W947-F967 HydrophobicContact CB-CE1 3.77Å; W947-F967 HydrophobicContact CB-CZ 4.15Å; W947-F967 AromaticContact CD1-CD1 3.63Å; W947-F967 HydrophobicContact CG-CD1 4.27Å; W947-F967 HydrophobicContact CG-CE1 4.32Å; L951-F967 WeakPolarHBondContact O-CD2 3.45Å; K952-F967 PolarHBondContact O-N 2.73Å; V954-F967 HydrophobicContact CB-CE2 4.19Å; V954-F967 HydrophobicContact CG1-CE2 3.58Å; V954-F967 HydrophobicContact CG1-CZ 3.9Å; I965-F967 HydrophobicContact CG2-CD1 4.1Å; I965-F967 HydrophobicContact CG2-CD2 4.36Å; I965-F967 HydrophobicContact CG2-CE1 3.75Å; I965-F967 HydrophobicContact CG2-CE2 4.05Å; I965-F967 HydrophobicContact CG2-CG 4.41Å; I965-F967 HydrophobicContact CG2-CZ 3.74Å; F967-K969 VanDerWaalsContact C-N 3.3Å; F967-K969 PolarHBondContact O-N 2.83Å; F967-M970 PolarHBondContact O-N 2.78Å |
| 968 | E | 81.4 | Confident | 79.5 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -34.1 | 175.9 | -58 | -177.5 | 136.3 | 0 | 0 | 112.4 | K952 N966 | K952-E968 HydrophobicContact CB-CG 4.18Å; K952-E968 HydrophobicContact CG-CG 4.29Å; K952-E968 WeakPolarHBondContact CG-OE1 3.31Å; K952-E968 IonicContact NZ-OE1 3.66Å; K952-E968 PolarHBondContact NZ-OE1 3.16Å; N966-E968 PolarHBondContact OD1-N 3Å; N966-E968 VanDerWaalsContact OD1-N 3.16Å |
| 969 | K | 80.9 | Confident | 79.4 | Confident | 141 Ų | 141 | 64 Ų | 64 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.3 | 177.3 | -64 | -178 | 180 | -179.1 | 0 | 113.4 | N966 F967 Q971 | N966-K969 WeakPolarHBondContact OD1-CB 3.14Å; N966-K969 WeakPolarHBondContact OD1-CG 3.1Å; N966-K969 PolarHBondContact OD1-N 2.92Å; F967-K969 VanDerWaalsContact C-N 3.3Å; F967-K969 PolarHBondContact O-N 2.83Å; K969-Q971 VanDerWaalsContact C-N 3.3Å; K969-Q971 HydrophobicContact CB-CB 4.25Å; K969-Q971 HydrophobicContact CB-CG 4.32Å; K969-Q971 PolarHBondContact O-N 3.49Å |
| 970 | M | 84.1 | Confident | 79.8 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 51.7 | -169.2 | -65.4 | -68.2 | -74.6 | 0 | 0 | 112 | W922 N966 F967 I983 | W922-M970 HydrophobicContact CH2-CE 4.04Å; W922-M970 HydrophobicContact CH2-SD 4.42Å; W922-M970 HydrophobicContact CZ3-CE 3.69Å; W922-M970 HydrophobicContact CZ3-SD 4.36Å; N966-M970 WeakPolarHBondContact O-CA 3.41Å; N966-M970 PolarHBondContact O-N 3.24Å; F967-M970 PolarHBondContact O-N 2.78Å; M970-I983 HydrophobicContact CB-CG1 4.41Å; M970-I983 HydrophobicContact CE-CG1 4.49Å; M970-I983 PolarHBondContact O-N 2.99Å |
| 971 | Q | 86.4 | Confident | 80.4 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.6 | -177 | -76.7 | 172.4 | -6.2 | 0 | 0 | 111.6 | N966 K969 V981 | N966-Q971 PolarHBondContact N-O 3.27Å; N966-Q971 PolarHBondContact O-N 3.26Å; K969-Q971 VanDerWaalsContact C-N 3.3Å; K969-Q971 HydrophobicContact CB-CB 4.25Å; K969-Q971 HydrophobicContact CB-CG 4.32Å; K969-Q971 PolarHBondContact O-N 3.49Å; Q971-V981 CarbonylContact C-O 3.55Å; Q971-V981 WeakPolarHBondContact CA-O 3.43Å |
| 972 | E | 84.4 | Confident | 80.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.4 | 165.2 | -178.3 | -168.9 | -176.1 | 0 | 0 | 108.7 | K642 Y935 F958 H963 I964 I965 S980 V981 I983 | K642-E972 WeakPolarHBondContact CE-OE1 3.22Å; K642-E972 WeakPolarHBondContact CE-OE2 3.24Å; K642-E972 IonicContact NZ-OE1 2.84Å; K642-E972 PolarHBondContact NZ-OE1 3.23Å; K642-E972 IonicContact NZ-OE2 2.7Å; K642-E972 PolarHBondContact NZ-OE2 3.11Å; Y935-E972 PolarHBondContact OH-OE2 2.98Å; F958-E972 WeakPolarHBondContact CD2-OE1 3.18Å; F958-E972 WeakPolarHBondContact CE2-OE1 2.97Å; H963-E972 HydrophobicContact CB-CG 4.26Å; H963-E972 IonicContact CD2-OE1 2.99Å; H963-E972 PolarHBondContact CD2-OE1 3.34Å; H963-E972 IonicContact CG-OE1 3.27Å; H963-E972 IonicContact NE2-OE1 3.56Å; H963-E972 PolarHBondContact NE2-OE1 2.92Å; I964-E972 CarbonylContact O-C 3.58Å; I964-E972 WeakPolarHBondContact O-CA 3.4Å; I965-E972 HydrophobicContact CG1-CB 4.24Å; I965-E972 HydrophobicContact CG1-CG 4.07Å; E972-S980 CarbonylContact O-C 3.59Å; E972-S980 VanDerWaalsContact O-CA 3.25Å; E972-S980 WeakPolarHBondContact O-CA 3.42Å; E972-V981 HydrophobicContact CB-CB 4.44Å; E972-V981 PolarHBondContact N-O 2.93Å; E972-V981 PolarHBondContact O-N 3.45Å; E972-I983 HydrophobicContact CB-CG2 3.88Å |
| 973 | Y | 83.3 | Confident | 81.3 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.3 | 179.1 | 174.5 | -99.6 | 0 | 0 | 0 | 110.7 | H963 I964 I975 G978 | H963-Y973 CarbonylContact C-O 3.59Å; H963-Y973 WeakPolarHBondContact CA-O 3.34Å; I964-Y973 HydrophobicContact CD1-CD1 4.45Å; I964-Y973 PolarHBondContact N-O 3.38Å; I964-Y973 PolarHBondContact O-N 3.34Å; Y973-I975 HydrophobicContact CD1-CG1 4.28Å; Y973-I975 HydrophobicContact CE1-CG1 4.28Å; Y973-G978 WeakPolarHBondContact CE2-O 3.45Å |
| 974 | N | 83.4 | Confident | 81.4 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.8 | 175.7 | 179.1 | -68.7 | 0 | 0 | 0 | 109.8 | Q961 H963 A976 S977 G978 K979 | Q961-N974 PolarHBondContact OE1-ND2 2.83Å; H963-N974 VanDerWaalsContact CD2-CB 3.47Å; H963-N974 WeakPolarHBondContact CD2-CB 3.28Å; H963-N974 PolarHBondContact CE1-ND2 2.93Å; H963-N974 PolarHBondContact NE2-ND2 3.32Å; N974-A976 PolarHBondContact OD1-N 2.98Å; N974-A976 VanDerWaalsContact OD1-N 3.16Å; N974-S977 WeakPolarHBondContact OD1-CB 3.43Å; N974-S977 PolarHBondContact OD1-N 3.29Å; N974-S977 PolarHBondContact OD1-OG 2.86Å; N974-G978 WeakPolarHBondContact O-CA 3.41Å; N974-G978 PolarHBondContact O-N 2.77Å; N974-K979 PolarHBondContact N-O 3.5Å |
| 975 | I | 76.8 | Confident | 81.4 | Confident | 89 Ų | 89 | 62 Ų | 62 | 46% | 0.456 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -39.4 | -175.6 | -49.2 | -178.9 | 0 | 0 | 0 | 110.8 | P962 I964 Y973 S977 | P962-I975 HydrophobicContact CB-CD1 4.15Å; P962-I975 HydrophobicContact CG-CB 4.28Å; P962-I975 PolarHBondContact O-N 2.58Å; I964-I975 HydrophobicContact CD1-CD1 3.83Å; I964-I975 HydrophobicContact CD1-CG1 4.12Å; I964-I975 HydrophobicContact CG1-CD1 3.77Å; I964-I975 HydrophobicContact CG1-CG1 3.95Å; Y973-I975 HydrophobicContact CD1-CG1 4.28Å; Y973-I975 HydrophobicContact CE1-CG1 4.28Å; I975-S977 VanDerWaalsContact C-N 3.29Å; I975-S977 PolarHBondContact O-N 3.13Å |
| 976 | A | 72.9 | Confident | 81.1 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N974 | N974-A976 PolarHBondContact OD1-N 2.98Å; N974-A976 VanDerWaalsContact OD1-N 3.16Å |
| 977 | S | 71.6 | Confident | 80.5 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -0.6 | -178.4 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | N974 I975 K979 | N974-S977 WeakPolarHBondContact OD1-CB 3.43Å; N974-S977 PolarHBondContact OD1-N 3.29Å; N974-S977 PolarHBondContact OD1-OG 2.86Å; I975-S977 VanDerWaalsContact C-N 3.29Å; I975-S977 PolarHBondContact O-N 3.13Å; S977-K979 PolarHBondContact O-N 2.96Å; S977-K979 VanDerWaalsContact O-N 3.15Å |
| 978 | G | 72 | Confident | 79.5 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 45% | 0.454 | 38% | 0.377 | S | S | . | . | trans | 66.5 | 7.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y973 N974 | Y973-G978 WeakPolarHBondContact CE2-O 3.45Å; N974-G978 WeakPolarHBondContact O-CA 3.41Å; N974-G978 PolarHBondContact O-N 2.77Å | ||
| 979 | K | 77.8 | Confident | 77.6 | Confident | 143 Ų | 143 | 75.6 Ų | 75.6 | 62% | 0.622 | 39% | 0.39 | S | S | * | . | trans | -90.2 | 131.1 | -172.5 | -70.6 | 169.9 | -172.3 | 173.7 | 0 | 111.7 | N974 S977 | N974-K979 PolarHBondContact N-O 3.5Å; S977-K979 PolarHBondContact O-N 2.96Å; S977-K979 VanDerWaalsContact O-N 3.15Å | ||
| 980 | S | 82.8 | Confident | 75.7 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 47% | 0.469 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.1 | 169.2 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | E972 | E972-S980 CarbonylContact O-C 3.59Å; E972-S980 VanDerWaalsContact O-CA 3.25Å; E972-S980 WeakPolarHBondContact O-CA 3.42Å |
| 981 | V | 84 | Confident | 73.4 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.4 | -178.8 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | H924 H925 Q971 E972 | H924-V981 HydrophobicContact CB-CG1 3.97Å; H925-V981 WeakPolarHBondContact O-CG1 3.25Å; Q971-V981 CarbonylContact C-O 3.55Å; Q971-V981 WeakPolarHBondContact CA-O 3.43Å; E972-V981 HydrophobicContact CB-CB 4.44Å; E972-V981 PolarHBondContact N-O 2.93Å; E972-V981 PolarHBondContact O-N 3.45Å |
| 982 | K | 83.4 | Confident | 70.8 | Confident | 136 Ų | 136 | 82.3 Ų | 82.3 | 59% | 0.591 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 138.3 | 178.5 | -173.5 | 175.1 | -178.6 | 179.6 | 0 | 110.1 | H925 | H925-K982 HydrophobicContact CB-CB 4.43Å; H925-K982 PolarHBondContact CD2-O 2.95Å; H925-K982 PolarHBondContact N-O 3.49Å |
| 983 | I | 87.6 | Confident | 68.4 | Low | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.005 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 159.7 | 177.2 | 69 | 170.7 | 0 | 0 | 0 | 111.4 | W922 V923 H924 Y935 I965 M970 E972 | W922-I983 HydrophobicContact CE3-CD1 4.12Å; W922-I983 HydrophobicContact CZ3-CD1 3.74Å; W922-I983 HydrophobicContact CZ3-CG1 4.25Å; V923-I983 CarbonylContact O-C 3.44Å; V923-I983 WeakPolarHBondContact O-CA 3.43Å; H924-I983 HydrophobicContact CB-CG2 4.32Å; Y935-I983 HydrophobicContact CE2-CG2 4.14Å; Y935-I983 WeakPolarHBondContact OH-CG2 3.36Å; I965-I983 HydrophobicContact CG2-CD1 3.7Å; M970-I983 HydrophobicContact CB-CG1 4.41Å; M970-I983 HydrophobicContact CE-CG1 4.49Å; M970-I983 PolarHBondContact O-N 2.99Å; E972-I983 HydrophobicContact CB-CG2 3.88Å |
| 984 | S | 81.7 | Confident | 66.2 | Low | 35 Ų | 35 | 90.2 Ų | 90.2 | 25% | 0.245 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.3 | 172 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | V923 H925 | V923-S984 WeakPolarHBondContact CG2-O 3.36Å; V923-S984 WeakPolarHBondContact CG2-OG 3.4Å; V923-S984 PolarHBondContact N-O 3.41Å; V923-S984 PolarHBondContact O-N 3.02Å; H925-S984 PolarHBondContact NE2-OG 3.24Å |
| 985 | R | 84.6 | Confident | 64.1 | Low | 71 Ų | 71 | 97 Ų | 97 | 27% | 0.268 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.4 | 170.1 | -171.4 | -179.6 | -178.7 | -89.4 | 6.7 | 109.5 | V920 W922 E944 W947 | V920-R985 HydrophobicContact CG1-CG 3.61Å; V920-R985 VanDerWaalsContact CG2-NH2 3.34Å; W922-R985 HydrophobicContact CD2-CB 4.03Å; W922-R985 HydrophobicContact CD2-CG 4.27Å; W922-R985 HydrophobicContact CE3-CB 4.09Å; W922-R985 HydrophobicContact CH2-CB 3.85Å; W922-R985 HydrophobicContact CH2-CG 4.44Å; W922-R985 HydrophobicContact CZ2-CB 3.74Å; W922-R985 HydrophobicContact CZ2-CG 3.83Å; W922-R985 HydrophobicContact CZ3-CB 4.01Å; E944-R985 IonicContact OE1-CZ 2.79Å; E944-R985 IonicContact OE1-NE 2.75Å; E944-R985 PolarHBondContact OE1-NE 3.42Å; E944-R985 IonicContact OE1-NH2 2.74Å; E944-R985 PolarHBondContact OE1-NH2 2.94Å; E944-R985 WeakPolarHBondContact OE2-CD 3.42Å; E944-R985 IonicContact OE2-CZ 3.42Å; E944-R985 IonicContact OE2-NE 3.1Å; E944-R985 PolarHBondContact OE2-NE 3.23Å; E944-R985 IonicContact OE2-NH2 3.28Å; W947-R985 VanDerWaalsContact CZ3-CZ 3.44Å |
| 986 | K | 78.4 | Confident | 62 | Low | 112 Ų | 112 | 99.4 Ų | 99.4 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.8 | 173.6 | -174.6 | -170.7 | 168.9 | -165.2 | 0 | 109 | Q921 | Q921-K986 PolarHBondContact N-O 3.3Å; Q921-K986 WeakPolarHBondContact O-CB 3.44Å; Q921-K986 PolarHBondContact O-N 2.95Å |
| 987 | L | 68.9 | Low | 60.1 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.1 | 168 | -77.3 | 159 | 0 | 0 | 0 | 109.8 | T919 | T919-L987 HydrophobicContact CG2-CD2 4.05Å; T919-L987 WeakPolarHBondContact O-CA 3.22Å |
| 988 | L | 63.5 | Low | 58.3 | Low | 66 Ų | 66 | 103.6 Ų | 103.6 | 35% | 0.346 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -103 | 116 | 172 | -59.3 | 177.6 | 0 | 0 | 0 | 107.9 | T919 | T919-L988 PolarHBondContact O-N 3.48Š|
| 989 | E | 40.5 | Very low | 57.1 | Low | 180 Ų | 180 | 110.2 Ų | 110.2 | 84% | 0.841 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.9 | 179.3 | -67.8 | -173.4 | 166.8 | 0 | 0 | 111.1 | G991 | E989-G991 PolarHBondContact O-N 3.42Š|
| 990 | L | 41.9 | Very low | 55 | Low | 189 Ų | 189 | 111 Ų | 111 | 99% | 0.99 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 24.3 | -167.4 | -154.5 | 73.8 | 0 | 0 | 0 | 114.6 | ||
| 991 | G | 35.8 | Very low | 52.6 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -17 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | E989 | E989-G991 PolarHBondContact O-N 3.42Š|
| 992 | D | 32.2 | Very low | 50.1 | Low | 153 Ų | 153 | 123.6 Ų | 123.6 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -129.6 | 40 | -159.9 | -156.8 | 23.8 | 0 | 0 | 0 | 114.2 | ||
| 993 | V | 33.1 | Very low | 47.8 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 64% | 0.639 | S | S | * | * | trans | -137.8 | 79.6 | 170 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 994 | T | 36.2 | Very low | 45.4 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 85% | 0.853 | 67% | 0.669 | S | S | * | * | trans | -102.4 | 54.8 | 166.7 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 995 | Q | 39.5 | Very low | 43.3 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -151.3 | 146.8 | 164.5 | -119.9 | 156.8 | -13.3 | 0 | 0 | 110.9 | ||
| 996 | D | 33.8 | Very low | 41.3 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | 52.1 | 83.6 | 162.3 | -47.7 | -27.1 | 0 | 0 | 0 | 117 | P998 | D996-P998 WeakPolarHBondContact O-CD 3.29Š| ||
| 997 | V | 32.8 | Very low | 39.7 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -92.7 | 109.8 | 147.7 | 176.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 998 | P | 34.6 | Very low | 39 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 54% | 0.539 | 71% | 0.71 | S | S | . | * | trans | -63.7 | 140.8 | 171.1 | -16.9 | 30 | 0 | 0 | 0 | 110.3 | L652 D996 | L652-P998 HydrophobicContact CD1-CB 3.76Å; L652-P998 HydrophobicContact CD1-CG 3.33Å; D996-P998 WeakPolarHBondContact O-CD 3.29Å | ||
| 999 | E | 45.6 | Very low | 38.9 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -78.8 | 124.4 | 170 | -60.5 | -176.3 | 116.6 | 0 | 0 | 109.5 | ||||
| 1000 | E | 34.3 | Very low | 40.5 | Very low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | trans | -168.1 | 163.8 | 148.5 | -111.5 | 155.7 | -158.1 | 0 | 0 | 112.2 | ||||
| 1001 | E | 32.2 | Very low | 42.5 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | 57.4 | 73 | 176.9 | -59.9 | -144.3 | 118 | 0 | 0 | 118.8 | S1003 | E1001-S1003 PolarHBondContact O-N 2.85Š| ||
| 1002 | Y | 32.5 | Very low | 45 | Very low | 170 Ų | 170 | 121.7 Ų | 121.7 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | trans | -72.2 | 86.3 | 155.7 | -87.9 | -93.7 | 0 | 0 | 0 | 111.3 | L1004 | Y1002-L1004 PolarHBondContact O-N 2.85Š| ||
| 1003 | S | 35.1 | Very low | 47.7 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 56% | 0.559 | 64% | 0.638 | S | S | * | * | trans | -74 | 92 | 169.6 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | E1001 L1005 S1006 | E1001-S1003 PolarHBondContact O-N 2.85Å; S1003-L1005 PolarHBondContact O-N 2.87Å; S1003-S1006 PolarHBondContact O-N 2.89Å; S1003-S1006 VanDerWaalsContact O-N 3.11Å; S1003-S1006 PolarHBondContact O-OG 3.28Å | ||
| 1004 | L | 37.3 | Very low | 50.4 | Low | 122 Ų | 122 | 114 Ų | 114 | 64% | 0.639 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 0 | -172.8 | -64.2 | 175.7 | 0 | 0 | 0 | 115.8 | Y1002 H1007 | Y1002-L1004 PolarHBondContact O-N 2.85Å; L1004-H1007 WeakPolarHBondContact CD2-NE2 3.28Å; L1004-H1007 PolarHBondContact O-CD2 2.94Å |
| 1005 | L | 37.6 | Very low | 52.8 | Low | 165 Ų | 165 | 112.4 Ų | 112.4 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -2.1 | 175.9 | -61.7 | 175.5 | 0 | 0 | 0 | 113.1 | S1003 H1007 | S1003-L1005 PolarHBondContact O-N 2.87Å; L1005-H1007 VanDerWaalsContact C-N 3.31Å; L1005-H1007 PolarHBondContact O-N 3.16Å |
| 1006 | S | 41.4 | Very low | 55 | Low | 68 Ų | 68 | 110.3 Ų | 110.3 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | trans | -91.6 | 26.8 | 177.4 | 61.9 | 0 | 0 | 0 | 0 | 114 | S1003 | S1003-S1006 PolarHBondContact O-N 2.89Å; S1003-S1006 VanDerWaalsContact O-N 3.11Å; S1003-S1006 PolarHBondContact O-OG 3.28Å | ||
| 1007 | H | 45.2 | Very low | 57.4 | Low | 62 Ų | 62 | 111.8 Ų | 111.8 | 29% | 0.287 | 58% | 0.584 | S | S | . | * | trans | -101.1 | 9.1 | -170.4 | -67.5 | -28.3 | 0 | 0 | 0 | 115.7 | L1004 L1005 | L1004-H1007 WeakPolarHBondContact CD2-NE2 3.28Å; L1004-H1007 PolarHBondContact O-CD2 2.94Å; L1005-H1007 VanDerWaalsContact C-N 3.31Å; L1005-H1007 PolarHBondContact O-N 3.16Å | ||
| 1008 | L | 53.7 | Low | 60.1 | Low | 148 Ų | 148 | 106.9 Ų | 106.9 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -71 | 131.6 | 166.3 | -73.7 | 166.8 | 0 | 0 | 0 | 109.2 | D1010 | L1008-D1010 PolarHBondContact O-N 2.94Š|
| 1009 | P | 62.5 | Low | 62.7 | Low | 27 Ų | 27 | 111.1 Ų | 111.1 | 18% | 0.175 | 57% | 0.569 | C | S | . | * | trans | -73.8 | 117.8 | 177.4 | 29.2 | -33.5 | 0 | 0 | 0 | 110.1 | A1011 N1049 C1089 V1090 | P1009-A1011 PolarHBondContact O-N 3.16Å; P1009-N1049 HydrophobicContact CB-CB 4.19Å; P1009-C1089 HydrophobicContact CB-CB 4.34Å; P1009-C1089 WeakPolarHBondContact CB-O 3.43Å; P1009-C1089 HydrophobicContact CG-CB 3.99Å; P1009-V1090 HydrophobicContact CG-CG2 3.91Å | ||
| 1010 | D | 73.5 | Confident | 64.8 | Low | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 115 | 169.9 | -79.3 | -40.5 | 0 | 0 | 0 | 108.8 | L1008 M1048 | L1008-D1010 PolarHBondContact O-N 2.94Å; D1010-M1048 PolarHBondContact O-N 2.91Å |
| 1011 | A | 83.8 | Confident | 67.6 | Low | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P1009 K1046 L1047 | P1009-A1011 PolarHBondContact O-N 3.16Å; A1011-K1046 WeakPolarHBondContact CA-O 3.48Å; A1011-L1047 HydrophobicContact CB-CD2 3.86Å |
| 1012 | T | 87.8 | Confident | 70.3 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.7 | -176.3 | -56.3 | 0 | 0 | 0 | 0 | 109.3 | I1014 E1045 K1046 | T1012-I1014 PolarHBondContact O-N 3.21Å; T1012-E1045 CarbonylContact O-C 3.6Å; T1012-E1045 WeakPolarHBondContact O-CA 3.43Å; T1012-K1046 PolarHBondContact N-O 2.9Å; T1012-K1046 PolarHBondContact O-N 2.87Å |
| 1013 | K | 89.1 | Confident | 73.1 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 127.3 | 171.2 | -179.4 | 173.1 | 175.5 | 175.4 | 0 | 109.2 | E1016 Q1043 E1045 | K1013-E1016 IonicContact NZ-OE1 2.65Å; K1013-Q1043 HydrophobicContact CD-CB 4.15Å; K1013-Q1043 HydrophobicContact CG-CB 4.47Å; K1013-E1045 HydrophobicContact CB-CG 4.4Å |
| 1014 | I | 90.8 | Very high | 75.8 | Confident | 15 Ų | 15 | 89.7 Ų | 89.7 | 8% | 0.077 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 139 | 176.6 | -45.2 | -178.3 | 0 | 0 | 0 | 108.8 | T1012 S1018 E1020 F1021 V1044 K1046 Y1191 | T1012-I1014 PolarHBondContact O-N 3.21Å; I1014-S1018 VanDerWaalsContact CG2-OG 3.27Å; I1014-S1018 WeakPolarHBondContact CG2-OG 3.49Å; I1014-E1020 HydrophobicContact CD1-CG 4.4Å; I1014-F1021 HydrophobicContact CB-CB 4.48Å; I1014-F1021 HydrophobicContact CB-CD2 4.42Å; I1014-F1021 HydrophobicContact CG2-CB 3.86Å; I1014-V1044 HydrophobicContact CD1-CB 4.42Å; I1014-V1044 HydrophobicContact CD1-CG1 3.79Å; I1014-V1044 HydrophobicContact CG1-CG1 4.45Å; I1014-V1044 PolarHBondContact N-O 2.95Å; I1014-K1046 HydrophobicContact CD1-CB 3.99Å; I1014-K1046 HydrophobicContact CG1-CB 3.95Å; I1014-Y1191 HydrophobicContact CD1-CD1 3.74Å; I1014-Y1191 HydrophobicContact CD1-CE1 3.74Å |
| 1015 | D | 85.1 | Confident | 78.3 | Confident | 107 Ų | 107 | 85 Ų | 85 | 57% | 0.572 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 136.4 | 175.6 | -166.4 | -9.5 | 0 | 0 | 0 | 111.3 | E1017 S1018 F1021 | D1015-E1017 PolarHBondContact O-N 2.96Å; D1015-E1017 PolarHBondContact OD1-N 3.21Å; D1015-S1018 WeakPolarHBondContact O-CB 3.46Å; D1015-S1018 PolarHBondContact O-N 3.34Å; D1015-S1018 VanDerWaalsContact O-N 3.13Å; D1015-S1018 PolarHBondContact O-OG 2.95Å; D1015-F1021 WeakPolarHBondContact O-CB 3.24Å |
| 1016 | E | 86.8 | Confident | 80.7 | Confident | 110 Ų | 110 | 84.2 Ų | 84.2 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.4 | -174.9 | -60.3 | -175.1 | -153.8 | 0 | 0 | 112.2 | K1013 F1021 | K1013-E1016 IonicContact NZ-OE1 2.65Å; E1016-F1021 HydrophobicContact CB-CD1 4.29Å; E1016-F1021 HydrophobicContact CB-CE1 3.94Å; E1016-F1021 HydrophobicContact CB-CZ 4.12Å; E1016-F1021 HydrophobicContact CG-CE1 4.11Å; E1016-F1021 HydrophobicContact CG-CE2 4.04Å; E1016-F1021 HydrophobicContact CG-CZ 3.75Å; E1016-F1021 VanDerWaalsContact O-CD1 3.3Å; E1016-F1021 WeakPolarHBondContact O-CD1 3.45Å |
| 1017 | E | 83.3 | Confident | 83 | Confident | 168 Ų | 168 | 84.2 Ų | 84.2 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16 | 175.5 | -60.8 | -164.2 | 169.5 | 0 | 0 | 113.4 | D1015 Q1022 | D1015-E1017 PolarHBondContact O-N 2.96Å; D1015-E1017 PolarHBondContact OD1-N 3.21Å; E1017-Q1022 PolarHBondContact O-NE2 3.46Å |
| 1018 | S | 89.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 81.2 Ų | 81.2 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -71.2 | 148.1 | -172.1 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | I1014 D1015 E1020 F1021 Q1022 | I1014-S1018 VanDerWaalsContact CG2-OG 3.27Å; I1014-S1018 WeakPolarHBondContact CG2-OG 3.49Å; D1015-S1018 WeakPolarHBondContact O-CB 3.46Å; D1015-S1018 PolarHBondContact O-N 3.34Å; D1015-S1018 VanDerWaalsContact O-N 3.13Å; D1015-S1018 PolarHBondContact O-OG 2.95Å; S1018-E1020 PolarHBondContact O-N 3.26Å; S1018-F1021 PolarHBondContact O-N 3.36Å; S1018-F1021 VanDerWaalsContact OG-CB 3.3Å; S1018-F1021 WeakPolarHBondContact OG-CB 3.44Å; S1018-F1021 PolarHBondContact OG-N 3.3Å; S1018-F1021 VanDerWaalsContact OG-N 3.16Å; S1018-Q1022 VanDerWaalsContact O-CG 3.31Å; S1018-Q1022 WeakPolarHBondContact O-CG 3.45Å; S1018-Q1022 PolarHBondContact O-N 3.48Å |
| 1019 | E | 89.6 | Confident | 86.8 | Confident | 173 Ų | 173 | 76.3 Ų | 76.3 | 81% | 0.808 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58.7 | -35.3 | 174.7 | -62.6 | -172.5 | 161.3 | 0 | 0 | 112.2 | Q1022 E1023 | E1019-Q1022 PolarHBondContact O-N 2.89Å; E1019-E1023 PolarHBondContact O-N 2.94Å |
| 1020 | E | 90.7 | Very high | 87.8 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 29% | 0.29 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 178.3 | -171.7 | 177.5 | 144.7 | 0 | 0 | 112 | I1014 S1018 E1023 V1024 K1046 Y1191 | I1014-E1020 HydrophobicContact CD1-CG 4.4Å; S1018-E1020 PolarHBondContact O-N 3.26Å; E1020-E1023 PolarHBondContact O-N 2.92Å; E1020-V1024 WeakPolarHBondContact O-CG2 3.36Å; E1020-V1024 PolarHBondContact O-N 3.17Å; E1020-K1046 WeakPolarHBondContact OE1-CD 3.37Å; E1020-K1046 WeakPolarHBondContact OE1-CE 3.36Å; E1020-K1046 IonicContact OE1-NZ 2.7Å; E1020-K1046 PolarHBondContact OE1-NZ 2.9Å; E1020-K1046 IonicContact OE2-NZ 3.63Å; E1020-K1046 PolarHBondContact OE2-NZ 3.43Å; E1020-Y1191 VanDerWaalsContact OE1-CE1 3.3Å; E1020-Y1191 WeakPolarHBondContact OE1-CE1 3.39Å; E1020-Y1191 PolarHBondContact OE1-OH 2.95Å |
| 1021 | F | 92 | Very high | 88.1 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 10% | 0.101 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 172.9 | -179.3 | -92.1 | 0 | 0 | 0 | 110.6 | I1014 D1015 E1016 S1018 E1023 V1024 V1025 V1044 | I1014-F1021 HydrophobicContact CB-CB 4.48Å; I1014-F1021 HydrophobicContact CB-CD2 4.42Å; I1014-F1021 HydrophobicContact CG2-CB 3.86Å; D1015-F1021 WeakPolarHBondContact O-CB 3.24Å; E1016-F1021 HydrophobicContact CB-CD1 4.29Å; E1016-F1021 HydrophobicContact CB-CE1 3.94Å; E1016-F1021 HydrophobicContact CB-CZ 4.12Å; E1016-F1021 HydrophobicContact CG-CE1 4.11Å; E1016-F1021 HydrophobicContact CG-CE2 4.04Å; E1016-F1021 HydrophobicContact CG-CZ 3.75Å; E1016-F1021 VanDerWaalsContact O-CD1 3.3Å; E1016-F1021 WeakPolarHBondContact O-CD1 3.45Å; S1018-F1021 PolarHBondContact O-N 3.36Å; S1018-F1021 VanDerWaalsContact OG-CB 3.3Å; S1018-F1021 WeakPolarHBondContact OG-CB 3.44Å; S1018-F1021 PolarHBondContact OG-N 3.3Å; S1018-F1021 VanDerWaalsContact OG-N 3.16Å; F1021-E1023 VanDerWaalsContact C-N 3.31Å; F1021-E1023 PolarHBondContact O-N 2.86Å; F1021-V1024 PolarHBondContact O-N 2.86Å; F1021-V1025 HydrophobicContact CD1-CG2 3.84Å; F1021-V1025 HydrophobicContact CD2-CG2 4.27Å; F1021-V1025 HydrophobicContact CE1-CG2 3.66Å; F1021-V1025 HydrophobicContact CE2-CG2 4.09Å; F1021-V1025 HydrophobicContact CG-CG2 4.15Å; F1021-V1025 HydrophobicContact CZ-CG2 3.79Å; F1021-V1025 WeakPolarHBondContact O-CB 3.14Å; F1021-V1025 WeakPolarHBondContact O-CG2 3.37Å; F1021-V1025 PolarHBondContact O-N 3.13Å; F1021-V1044 HydrophobicContact CD2-CB 3.9Å; F1021-V1044 HydrophobicContact CD2-CG2 3.88Å; F1021-V1044 HydrophobicContact CE2-CB 4.01Å; F1021-V1044 HydrophobicContact CE2-CG2 3.67Å |
| 1022 | Q | 89.7 | Confident | 87.7 | Confident | 111 Ų | 111 | 72 Ų | 72 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 178.6 | -69 | 178.8 | 47.7 | 0 | 0 | 112.1 | E1017 S1018 E1019 K1026 | E1017-Q1022 PolarHBondContact O-NE2 3.46Å; S1018-Q1022 VanDerWaalsContact O-CG 3.31Å; S1018-Q1022 WeakPolarHBondContact O-CG 3.45Å; S1018-Q1022 PolarHBondContact O-N 3.48Å; E1019-Q1022 PolarHBondContact O-N 2.89Å; Q1022-K1026 WeakPolarHBondContact O-CB 3.14Å; Q1022-K1026 PolarHBondContact O-N 2.89Å |
| 1023 | E | 91.1 | Very high | 86.6 | Confident | 120 Ų | 120 | 75.8 Ų | 75.8 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.4 | -50 | 175.6 | 178.3 | 164.1 | -150.5 | 0 | 0 | 112.5 | E1019 E1020 F1021 V1025 K1026 N1027 | E1019-E1023 PolarHBondContact O-N 2.94Å; E1020-E1023 PolarHBondContact O-N 2.92Å; F1021-E1023 VanDerWaalsContact C-N 3.31Å; F1021-E1023 PolarHBondContact O-N 2.86Å; E1023-V1025 VanDerWaalsContact C-N 3.31Å; E1023-V1025 PolarHBondContact O-N 2.92Å; E1023-K1026 PolarHBondContact O-N 3.44Å; E1023-N1027 VanDerWaalsContact CG-ND2 3.32Å; E1023-N1027 WeakPolarHBondContact CG-ND2 3.29Å; E1023-N1027 WeakPolarHBondContact O-CB 3.48Å; E1023-N1027 VanDerWaalsContact O-CG 3.26Å; E1023-N1027 PolarHBondContact O-N 2.85Å; E1023-N1027 PolarHBondContact O-ND2 3.01Å |
| 1024 | V | 90.5 | Very high | 85.3 | Confident | 14 Ų | 14 | 77.8 Ų | 77.8 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | E1020 F1021 N1027 F1028 V1044 Y1191 I1193 | E1020-V1024 WeakPolarHBondContact O-CG2 3.36Å; E1020-V1024 PolarHBondContact O-N 3.17Å; F1021-V1024 PolarHBondContact O-N 2.86Å; V1024-N1027 PolarHBondContact O-N 3.47Å; V1024-F1028 WeakPolarHBondContact O-CB 3.39Å; V1024-F1028 PolarHBondContact O-N 3.47Å; V1024-V1044 HydrophobicContact CG1-CG1 3.97Å; V1024-Y1191 HydrophobicContact CG1-CD2 4.44Å; V1024-Y1191 HydrophobicContact CG1-CG 4.36Å; V1024-Y1191 HydrophobicContact CG2-CD1 4.22Å; V1024-Y1191 HydrophobicContact CG2-CD2 3.92Å; V1024-Y1191 HydrophobicContact CG2-CE1 4.05Å; V1024-Y1191 HydrophobicContact CG2-CE2 3.73Å; V1024-Y1191 HydrophobicContact CG2-CG 4.16Å; V1024-I1193 HydrophobicContact CG1-CD1 3.87Å; V1024-I1193 HydrophobicContact CG1-CG1 4.25Å |
| 1025 | V | 90.4 | Very high | 83.8 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | F1021 E1023 F1028 Y1029 I1041 V1044 | F1021-V1025 HydrophobicContact CD1-CG2 3.84Å; F1021-V1025 HydrophobicContact CD2-CG2 4.27Å; F1021-V1025 HydrophobicContact CE1-CG2 3.66Å; F1021-V1025 HydrophobicContact CE2-CG2 4.09Å; F1021-V1025 HydrophobicContact CG-CG2 4.15Å; F1021-V1025 HydrophobicContact CZ-CG2 3.79Å; F1021-V1025 WeakPolarHBondContact O-CB 3.14Å; F1021-V1025 WeakPolarHBondContact O-CG2 3.37Å; F1021-V1025 PolarHBondContact O-N 3.13Å; E1023-V1025 VanDerWaalsContact C-N 3.31Å; E1023-V1025 PolarHBondContact O-N 2.92Å; V1025-F1028 PolarHBondContact O-N 2.87Å; V1025-Y1029 HydrophobicContact CG1-CD2 3.56Å; V1025-Y1029 HydrophobicContact CG1-CE2 3.53Å; V1025-Y1029 WeakPolarHBondContact O-CD2 3.49Å; V1025-Y1029 PolarHBondContact O-N 3.02Å; V1025-I1041 HydrophobicContact CB-CD1 4.24Å; V1025-I1041 HydrophobicContact CG1-CD1 3.98Å; V1025-I1041 HydrophobicContact CG2-CD1 3.76Å; V1025-V1044 HydrophobicContact CG2-CG2 4.15Å |
| 1026 | K | 89.3 | Confident | 82.9 | Confident | 148 Ų | 148 | 80.3 Ų | 80.3 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 174.6 | 172.9 | -174.2 | 173.4 | -169.1 | 0 | 111.4 | Q1022 E1023 F1028 S1030 | Q1022-K1026 WeakPolarHBondContact O-CB 3.14Å; Q1022-K1026 PolarHBondContact O-N 2.89Å; E1023-K1026 PolarHBondContact O-N 3.44Å; K1026-F1028 VanDerWaalsContact C-N 3.34Å; K1026-F1028 PolarHBondContact O-N 2.94Å; K1026-S1030 VanDerWaalsContact O-CB 3.27Å; K1026-S1030 WeakPolarHBondContact O-CB 3.41Å; K1026-S1030 PolarHBondContact O-N 3.38Å |
| 1027 | N | 89.1 | Confident | 81.9 | Confident | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.4 | -72.3 | -23.4 | 0 | 0 | 0 | 111.3 | E1023 V1024 S1030 Y1077 | E1023-N1027 VanDerWaalsContact CG-ND2 3.32Å; E1023-N1027 WeakPolarHBondContact CG-ND2 3.29Å; E1023-N1027 WeakPolarHBondContact O-CB 3.48Å; E1023-N1027 VanDerWaalsContact O-CG 3.26Å; E1023-N1027 PolarHBondContact O-N 2.85Å; E1023-N1027 PolarHBondContact O-ND2 3.01Å; V1024-N1027 PolarHBondContact O-N 3.47Å; N1027-S1030 PolarHBondContact O-OG 3.4Å; N1027-Y1077 PolarHBondContact O-OH 2.97Å |
| 1028 | F | 90 | Very high | 81.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -62.8 | 172.8 | -176.6 | -99.6 | 0 | 0 | 0 | 111 | V1024 V1025 K1026 S1030 T1031 I1032 I1039 I1041 Y1077 S1115 V1119 I1134 I1193 | V1024-F1028 WeakPolarHBondContact O-CB 3.39Å; V1024-F1028 PolarHBondContact O-N 3.47Å; V1025-F1028 PolarHBondContact O-N 2.87Å; K1026-F1028 VanDerWaalsContact C-N 3.34Å; K1026-F1028 PolarHBondContact O-N 2.94Å; F1028-S1030 VanDerWaalsContact C-N 3.27Å; F1028-S1030 PolarHBondContact O-N 3.23Å; F1028-T1031 PolarHBondContact O-N 3.13Å; F1028-T1031 PolarHBondContact O-OG1 3.06Å; F1028-I1032 HydrophobicContact CD1-CD1 3.37Å; F1028-I1032 HydrophobicContact CD2-CD1 4.28Å; F1028-I1032 HydrophobicContact CE1-CD1 3.22Å; F1028-I1032 HydrophobicContact CE2-CD1 4.16Å; F1028-I1032 HydrophobicContact CG-CD1 3.93Å; F1028-I1032 HydrophobicContact CZ-CD1 3.66Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.28Å; F1028-I1039 HydrophobicContact CE1-CG2 4.3Å; F1028-I1041 HydrophobicContact CD1-CD1 3.68Å; F1028-I1041 HydrophobicContact CD1-CG1 4.22Å; F1028-I1041 HydrophobicContact CE1-CD1 4.03Å; F1028-I1041 HydrophobicContact CE1-CG1 4.05Å; F1028-I1041 HydrophobicContact CG-CD1 4.39Å; F1028-Y1077 HydrophobicContact CB-CE1 4.48Å; F1028-Y1077 HydrophobicContact CD2-CD1 4.21Å; F1028-Y1077 AromaticContact CD2-CE1 3.92Å; F1028-Y1077 HydrophobicContact CD2-CE1 3.92Å; F1028-Y1077 PolarHBondContact N-OH 2.79Å; F1028-S1115 PolarHBondContact O-OG 3.36Å; F1028-V1119 HydrophobicContact CE2-CG2 3.97Å; F1028-V1119 HydrophobicContact CZ-CG2 3.57Å; F1028-I1134 HydrophobicContact CE2-CB 4.42Å; F1028-I1134 HydrophobicContact CE2-CG2 4.37Å; F1028-I1193 HydrophobicContact CB-CD1 4.14Å; F1028-I1193 HydrophobicContact CD2-CD1 3.51Å; F1028-I1193 HydrophobicContact CD2-CG2 4.4Å; F1028-I1193 HydrophobicContact CE2-CD1 4.09Å; F1028-I1193 HydrophobicContact CE2-CG2 4.16Å; F1028-I1193 HydrophobicContact CG-CD1 4.02Å; F1028-I1193 HydrophobicContact CZ-CG2 4.21Å |
| 1029 | Y | 88.3 | Confident | 81.5 | Confident | 44 Ų | 44 | 73.9 Ų | 73.9 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -28.7 | -176.7 | -75.4 | -57.5 | 0 | 0 | 0 | 114.2 | V1025 T1031 I1032 I1039 I1041 | V1025-Y1029 HydrophobicContact CG1-CD2 3.56Å; V1025-Y1029 HydrophobicContact CG1-CE2 3.53Å; V1025-Y1029 WeakPolarHBondContact O-CD2 3.49Å; V1025-Y1029 PolarHBondContact O-N 3.02Å; Y1029-T1031 PolarHBondContact O-N 2.75Å; Y1029-I1032 HydrophobicContact CD1-CD1 4.44Å; Y1029-I1032 PolarHBondContact O-N 2.85Å; Y1029-I1039 PolarHBondContact OH-O 2.54Å; Y1029-I1041 HydrophobicContact CD2-CD1 4.45Å; Y1029-I1041 HydrophobicContact CE2-CD1 3.84Å; Y1029-I1041 HydrophobicContact CE2-CG1 4.39Å; Y1029-I1041 PolarHBondContact OH-N 2.87Å |
| 1030 | S | 83.8 | Confident | 81.5 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.1 | -28.6 | 178.2 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | K1026 N1027 F1028 | K1026-S1030 VanDerWaalsContact O-CB 3.27Å; K1026-S1030 WeakPolarHBondContact O-CB 3.41Å; K1026-S1030 PolarHBondContact O-N 3.38Å; N1027-S1030 PolarHBondContact O-OG 3.4Å; F1028-S1030 VanDerWaalsContact C-N 3.27Å; F1028-S1030 PolarHBondContact O-N 3.23Å |
| 1031 | T | 79 | Confident | 81.5 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 8.7 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | F1028 Y1029 N1114 S1115 A1116 | F1028-T1031 PolarHBondContact O-N 3.13Å; F1028-T1031 PolarHBondContact O-OG1 3.06Å; Y1029-T1031 PolarHBondContact O-N 2.75Å; T1031-N1114 HydrophobicContact CG2-CB 4.48Å; T1031-N1114 VanDerWaalsContact CG2-OD1 3.31Å; T1031-N1114 WeakPolarHBondContact CG2-OD1 3.3Å; T1031-S1115 PolarHBondContact OG1-N 2.94Å; T1031-S1115 VanDerWaalsContact OG1-N 3.09Å; T1031-S1115 PolarHBondContact OG1-OG 2.95Å; T1031-A1116 VanDerWaalsContact O-CB 3.25Å; T1031-A1116 WeakPolarHBondContact O-CB 3.32Å |
| 1032 | I | 76.3 | Confident | 81.5 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | trans | -122.5 | 40.2 | -175.4 | -45.8 | 167 | 0 | 0 | 0 | 112.4 | F1028 Y1029 E1034 Y1035 H1036 S1115 A1116 V1119 | F1028-I1032 HydrophobicContact CD1-CD1 3.37Å; F1028-I1032 HydrophobicContact CD2-CD1 4.28Å; F1028-I1032 HydrophobicContact CE1-CD1 3.22Å; F1028-I1032 HydrophobicContact CE2-CD1 4.16Å; F1028-I1032 HydrophobicContact CG-CD1 3.93Å; F1028-I1032 HydrophobicContact CZ-CD1 3.66Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.28Å; Y1029-I1032 HydrophobicContact CD1-CD1 4.44Å; Y1029-I1032 PolarHBondContact O-N 2.85Å; I1032-E1034 PolarHBondContact O-N 3.39Å; I1032-Y1035 HydrophobicContact CG2-CD2 4.36Å; I1032-Y1035 HydrophobicContact CG2-CG 4.43Å; I1032-Y1035 CarbonylContact O-C 3.46Å; I1032-Y1035 PolarHBondContact O-N 2.82Å; I1032-H1036 WeakPolarHBondContact O-CB 3.28Å; I1032-H1036 PolarHBondContact O-N 2.84Å; I1032-S1115 VanDerWaalsContact CD1-OG 3.22Å; I1032-S1115 WeakPolarHBondContact CD1-OG 3.26Å; I1032-S1115 WeakPolarHBondContact CG1-OG 3.5Å; I1032-A1116 HydrophobicContact CB-CB 4.49Å; I1032-A1116 HydrophobicContact CG1-CB 4.28Å; I1032-A1116 HydrophobicContact CG2-CB 4.37Å; I1032-V1119 HydrophobicContact CD1-CG2 4.31Å | ||
| 1033 | Q | 63.8 | Low | 81.6 | Confident | 171 Ų | 171 | 68.7 Ų | 68.7 | 80% | 0.799 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.2 | -171.8 | -61.7 | -179.9 | 6.7 | 0 | 0 | 114.4 | ||
| 1034 | E | 61.3 | Low | 81.8 | Confident | 147 Ų | 147 | 63 Ų | 63 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -16.6 | 179 | -62.3 | -173.6 | 154.4 | 0 | 0 | 115.6 | I1032 K1038 | I1032-E1034 PolarHBondContact O-N 3.39Å; E1034-K1038 PolarHBondContact O-NZ 3.24Å |
| 1035 | Y | 61.1 | Low | 81.9 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 7.1 | -177.5 | -51.7 | -106 | 0 | 0 | 0 | 113.4 | I1032 S1037 K1038 I1039 | I1032-Y1035 HydrophobicContact CG2-CD2 4.36Å; I1032-Y1035 HydrophobicContact CG2-CG 4.43Å; I1032-Y1035 CarbonylContact O-C 3.46Å; I1032-Y1035 PolarHBondContact O-N 2.82Å; Y1035-S1037 PolarHBondContact O-N 2.85Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å; Y1035-K1038 HydrophobicContact CD1-CD 4.01Å; Y1035-K1038 CarbonylContact O-C 3.56Å; Y1035-K1038 WeakPolarHBondContact O-CA 3.27Å; Y1035-K1038 PolarHBondContact O-N 3.29Å; Y1035-I1039 PolarHBondContact O-N 3.18Å |
| 1036 | H | 65.7 | Low | 82.1 | Confident | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.1 | 177 | -166 | -39.4 | 0 | 0 | 0 | 113.1 | I1032 | I1032-H1036 WeakPolarHBondContact O-CB 3.28Å; I1032-H1036 PolarHBondContact O-N 2.84Å |
| 1037 | S | 65.6 | Low | 82.2 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.1 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | Y1035 | Y1035-S1037 PolarHBondContact O-N 2.85Å; Y1035-S1037 VanDerWaalsContact O-N 3.07Å |
| 1038 | K | 77.6 | Confident | 82 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -1.9 | -172 | -56.9 | 171.6 | -171.1 | 145.9 | 0 | 113.5 | E1034 Y1035 R1197 I1198 | E1034-K1038 PolarHBondContact O-NZ 3.24Å; Y1035-K1038 HydrophobicContact CD1-CD 4.01Å; Y1035-K1038 CarbonylContact O-C 3.56Å; Y1035-K1038 WeakPolarHBondContact O-CA 3.27Å; Y1035-K1038 PolarHBondContact O-N 3.29Å; K1038-R1197 CarbonylContact O-C 3.5Å; K1038-R1197 WeakPolarHBondContact O-CA 3.23Å; K1038-I1198 PolarHBondContact O-N 3.39Å |
| 1039 | I | 86.9 | Confident | 81.7 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.1 | 178.6 | -60.2 | -67.3 | 0 | 0 | 0 | 107.9 | F1028 Y1029 Y1035 V1119 C1195 R1197 | F1028-I1039 HydrophobicContact CE1-CG2 4.3Å; Y1029-I1039 PolarHBondContact OH-O 2.54Å; Y1035-I1039 PolarHBondContact O-N 3.18Å; I1039-V1119 HydrophobicContact CD1-CG1 3.51Å; I1039-V1119 HydrophobicContact CG1-CG1 3.88Å; I1039-C1195 HydrophobicContact CG2-CB 3.97Å; I1039-R1197 HydrophobicContact CD1-CB 4.25Å; I1039-R1197 HydrophobicContact CD1-CG 4.28Å |
| 1040 | R | 88.6 | Confident | 81.5 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124 | 172.6 | 169.7 | 179.9 | -179 | -168.1 | 2.5 | 109 | I1042 C1195 Q1196 I1198 | R1040-I1042 HydrophobicContact CG-CD1 4.08Å; R1040-C1195 CarbonylContact O-C 3.53Å; R1040-C1195 WeakPolarHBondContact O-CA 3.34Å; R1040-C1195 VanDerWaalsContact O-CB 3.31Å; R1040-C1195 WeakPolarHBondContact O-CB 3.47Å; R1040-Q1196 PolarHBondContact N-O 2.87Å; R1040-Q1196 PolarHBondContact O-N 2.91Å; R1040-I1198 HydrophobicContact CB-CD1 3.7Å; R1040-I1198 HydrophobicContact CB-CG1 4.14Å |
| 1041 | I | 91.6 | Very high | 81.6 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.7 | 166.9 | -62.7 | 171.8 | 0 | 0 | 0 | 108.8 | V1025 F1028 Y1029 V1044 I1193 C1195 | V1025-I1041 HydrophobicContact CB-CD1 4.24Å; V1025-I1041 HydrophobicContact CG1-CD1 3.98Å; V1025-I1041 HydrophobicContact CG2-CD1 3.76Å; F1028-I1041 HydrophobicContact CD1-CD1 3.68Å; F1028-I1041 HydrophobicContact CD1-CG1 4.22Å; F1028-I1041 HydrophobicContact CE1-CD1 4.03Å; F1028-I1041 HydrophobicContact CE1-CG1 4.05Å; F1028-I1041 HydrophobicContact CG-CD1 4.39Å; Y1029-I1041 HydrophobicContact CD2-CD1 4.45Å; Y1029-I1041 HydrophobicContact CE2-CD1 3.84Å; Y1029-I1041 HydrophobicContact CE2-CG1 4.39Å; Y1029-I1041 PolarHBondContact OH-N 2.87Å; I1041-V1044 HydrophobicContact CG2-CG2 3.98Å; I1041-I1193 HydrophobicContact CD1-CG2 4.14Å; I1041-I1193 HydrophobicContact CG1-CG2 4.04Å; I1041-I1193 HydrophobicContact CG2-CG2 4.23Å; I1041-C1195 HydrophobicContact CG1-CB 4.32Å |
| 1042 | I | 91.9 | Very high | 82 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -38.7 | -177.9 | -56.5 | -63.4 | 0 | 0 | 0 | 110.2 | R1040 Y1131 T1194 Q1196 | R1040-I1042 HydrophobicContact CG-CD1 4.08Å; I1042-Y1131 HydrophobicContact CB-CE1 4.5Å; I1042-Y1131 HydrophobicContact CD1-CE1 4.22Å; I1042-Y1131 HydrophobicContact CG1-CD1 4.01Å; I1042-Y1131 HydrophobicContact CG1-CE1 3.84Å; I1042-Y1131 HydrophobicContact CG2-CE1 4.12Å; I1042-T1194 PolarHBondContact N-O 2.77Å; I1042-Q1196 HydrophobicContact CD1-CB 4.09Å; I1042-Q1196 HydrophobicContact CG1-CB 4.09Å |
| 1043 | Q | 92.3 | Very high | 82.7 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 160.3 | 167.1 | 60.3 | -170.5 | 28.1 | 0 | 0 | 111.1 | K1013 E1045 T1194 | K1013-Q1043 HydrophobicContact CD-CB 4.15Å; K1013-Q1043 HydrophobicContact CG-CB 4.47Å; Q1043-E1045 HydrophobicContact CG-CG 4.41Å; Q1043-E1045 PolarHBondContact NE2-OE1 2.66Å; Q1043-E1045 PolarHBondContact NE2-OE2 2.69Å; Q1043-T1194 PolarHBondContact N-O 3.23Å; Q1043-T1194 PolarHBondContact O-N 3.28Å |
| 1044 | V | 94.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.5 | 164.1 | -177 | 0 | 0 | 0 | 0 | 107.5 | I1014 F1021 V1024 V1025 I1041 Y1191 L1192 I1193 | I1014-V1044 HydrophobicContact CD1-CB 4.42Å; I1014-V1044 HydrophobicContact CD1-CG1 3.79Å; I1014-V1044 HydrophobicContact CG1-CG1 4.45Å; I1014-V1044 PolarHBondContact N-O 2.95Å; F1021-V1044 HydrophobicContact CD2-CB 3.9Å; F1021-V1044 HydrophobicContact CD2-CG2 3.88Å; F1021-V1044 HydrophobicContact CE2-CB 4.01Å; F1021-V1044 HydrophobicContact CE2-CG2 3.67Å; V1024-V1044 HydrophobicContact CG1-CG1 3.97Å; V1025-V1044 HydrophobicContact CG2-CG2 4.15Å; I1041-V1044 HydrophobicContact CG2-CG2 3.98Å; V1044-Y1191 HydrophobicContact CG1-CD1 4.25Å; V1044-L1192 CarbonylContact C-O 3.51Å; V1044-L1192 WeakPolarHBondContact CA-O 3.16Å; V1044-I1193 HydrophobicContact CG1-CG1 4.33Å; V1044-I1193 HydrophobicContact CG2-CG1 4.29Å; V1044-I1193 HydrophobicContact CG2-CG2 4.45Å |
| 1045 | E | 94 | Very high | 85.1 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.8 | -179.7 | -67.3 | 157.8 | 94.5 | 0 | 0 | 108.8 | T1012 K1013 Q1043 Y1191 L1192 | T1012-E1045 CarbonylContact O-C 3.6Å; T1012-E1045 WeakPolarHBondContact O-CA 3.43Å; K1013-E1045 HydrophobicContact CB-CG 4.4Å; Q1043-E1045 HydrophobicContact CG-CG 4.41Å; Q1043-E1045 PolarHBondContact NE2-OE1 2.66Å; Q1043-E1045 PolarHBondContact NE2-OE2 2.69Å; E1045-Y1191 CarbonylContact O-C 3.6Å; E1045-Y1191 VanDerWaalsContact O-CA 3.3Å; E1045-Y1191 WeakPolarHBondContact O-CA 3.46Å; E1045-L1192 HydrophobicContact CB-CB 4.37Å; E1045-L1192 PolarHBondContact N-O 3.35Å; E1045-L1192 PolarHBondContact O-N 3.38Å |
| 1046 | K | 93.3 | Very high | 86.6 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.6 | 173.7 | -167.3 | 176 | -157 | 158.3 | 0 | 109.1 | A1011 T1012 I1014 E1020 Y1191 | A1011-K1046 WeakPolarHBondContact CA-O 3.48Å; T1012-K1046 PolarHBondContact N-O 2.9Å; T1012-K1046 PolarHBondContact O-N 2.87Å; I1014-K1046 HydrophobicContact CD1-CB 3.99Å; I1014-K1046 HydrophobicContact CG1-CB 3.95Å; E1020-K1046 WeakPolarHBondContact OE1-CD 3.37Å; E1020-K1046 WeakPolarHBondContact OE1-CE 3.36Å; E1020-K1046 IonicContact OE1-NZ 2.7Å; E1020-K1046 PolarHBondContact OE1-NZ 2.9Å; E1020-K1046 IonicContact OE2-NZ 3.63Å; E1020-K1046 PolarHBondContact OE2-NZ 3.43Å; K1046-Y1191 HydrophobicContact CB-CD1 4.27Å; K1046-Y1191 HydrophobicContact CB-CE1 4.23Å; K1046-Y1191 HydrophobicContact CD-CE1 4.39Å; K1046-Y1191 HydrophobicContact CG-CD1 4.27Å; K1046-Y1191 HydrophobicContact CG-CE1 3.87Å |
| 1047 | L | 91.3 | Very high | 87.8 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.2 | -174.7 | -57.6 | 174 | 0 | 0 | 0 | 109.8 | A1011 F1135 F1188 P1189 E1190 L1192 | A1011-L1047 HydrophobicContact CB-CD2 3.86Å; L1047-F1135 HydrophobicContact CD1-CD1 3.71Å; L1047-F1135 HydrophobicContact CD1-CE1 3.52Å; L1047-F1188 WeakPolarHBondContact O-CZ 3.41Å; L1047-P1189 WeakPolarHBondContact CB-O 3.49Å; L1047-P1189 HydrophobicContact CD1-CB 4.06Å; L1047-E1190 PolarHBondContact N-O 3.04Å; L1047-L1192 HydrophobicContact CD1-CB 4.19Å |
| 1048 | M | 84.6 | Confident | 88.9 | Confident | 83 Ų | 83 | 62 Ų | 62 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 82.2 | 177.9 | -166.9 | 51.7 | 53.9 | 0 | 0 | 111.6 | D1010 F1188 | D1010-M1048 PolarHBondContact O-N 2.91Å; M1048-F1188 HydrophobicContact CE-CZ 4.48Å; M1048-F1188 HydrophobicContact SD-CZ 4.49Å |
| 1049 | N | 85.4 | Confident | 89.5 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | trans | -93.1 | 102.2 | 168.6 | -174.5 | -37.3 | 0 | 0 | 0 | 109.5 | P1009 L1051 L1052 Y1053 C1089 V1090 | P1009-N1049 HydrophobicContact CB-CB 4.19Å; N1049-L1051 VanDerWaalsContact C-N 3.26Å; N1049-L1051 PolarHBondContact O-N 2.95Å; N1049-L1051 PolarHBondContact OD1-N 3.14Å; N1049-L1052 HydrophobicContact CB-CB 4.15Å; N1049-L1052 HydrophobicContact CB-CD1 3.91Å; N1049-L1052 HydrophobicContact CB-CG 4.13Å; N1049-L1052 WeakPolarHBondContact ND2-CD1 3.41Å; N1049-L1052 PolarHBondContact O-N 2.81Å; N1049-L1052 PolarHBondContact OD1-N 3.37Å; N1049-Y1053 WeakPolarHBondContact O-CB 3.33Å; N1049-Y1053 PolarHBondContact O-N 3.08Å; N1049-C1089 PolarHBondContact ND2-O 3.04Å; N1049-V1090 PolarHBondContact ND2-O 3.16Å | ||
| 1050 | R | 82.5 | Confident | 89.7 | Confident | 177 Ų | 177 | 62.2 Ų | 62.2 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.9 | -32.9 | -175.4 | -172.8 | 176.8 | 177.2 | -161.7 | -4.1 | 113.3 | N1054 | R1050-N1054 WeakPolarHBondContact O-CB 3.27Å; R1050-N1054 PolarHBondContact O-N 3.46Å |
| 1051 | L | 86 | Confident | 89.7 | Confident | 57 Ų | 57 | 57.7 Ų | 57.7 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.5 | -51 | 178.3 | 178.6 | 61.1 | 0 | 0 | 0 | 110.9 | N1049 Y1053 N1054 Q1055 | N1049-L1051 VanDerWaalsContact C-N 3.26Å; N1049-L1051 PolarHBondContact O-N 2.95Å; N1049-L1051 PolarHBondContact OD1-N 3.14Å; L1051-Y1053 VanDerWaalsContact C-N 3.33Å; L1051-Y1053 PolarHBondContact O-N 3.42Å; L1051-N1054 PolarHBondContact O-N 2.95Å; L1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; L1051-Q1055 PolarHBondContact O-N 2.78Å |
| 1052 | L | 88.7 | Confident | 89.5 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.4 | -62.5 | 177.7 | 0 | 0 | 0 | 111.5 | N1049 Q1055 Y1056 F1188 | N1049-L1052 HydrophobicContact CB-CB 4.15Å; N1049-L1052 HydrophobicContact CB-CD1 3.91Å; N1049-L1052 HydrophobicContact CB-CG 4.13Å; N1049-L1052 WeakPolarHBondContact ND2-CD1 3.41Å; N1049-L1052 PolarHBondContact O-N 2.81Å; N1049-L1052 PolarHBondContact OD1-N 3.37Å; L1052-Q1055 PolarHBondContact O-N 3Å; L1052-Y1056 WeakPolarHBondContact O-CB 3.37Å; L1052-Y1056 PolarHBondContact O-N 3.26Å; L1052-F1188 HydrophobicContact CB-CD2 4.07Å; L1052-F1188 HydrophobicContact CB-CE2 4.27Å |
| 1053 | Y | 90.1 | Very high | 89.2 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.2 | -170.8 | -111.4 | 0 | 0 | 0 | 112.7 | N1049 L1051 K1057 F1188 | N1049-Y1053 WeakPolarHBondContact O-CB 3.33Å; N1049-Y1053 PolarHBondContact O-N 3.08Å; L1051-Y1053 VanDerWaalsContact C-N 3.33Å; L1051-Y1053 PolarHBondContact O-N 3.42Å; Y1053-K1057 VanDerWaalsContact O-CB 3.29Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.41Å; Y1053-K1057 PolarHBondContact O-N 2.88Å; Y1053-F1188 HydrophobicContact CD2-CD1 4.05Å; Y1053-F1188 HydrophobicContact CD2-CD2 4.23Å; Y1053-F1188 AromaticContact CD2-CE1 3.91Å; Y1053-F1188 HydrophobicContact CD2-CE1 3.91Å; Y1053-F1188 HydrophobicContact CD2-CE2 4.11Å; Y1053-F1188 HydrophobicContact CD2-CG 4.21Å; Y1053-F1188 AromaticContact CD2-CZ 3.95Å; Y1053-F1188 HydrophobicContact CD2-CZ 3.95Å; Y1053-F1188 HydrophobicContact CG-CE2 4.37Å; Y1053-F1188 HydrophobicContact CG-CZ 4.4Å |
| 1054 | N | 86.1 | Confident | 89 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 174.8 | -78.1 | -6.9 | 0 | 0 | 0 | 111.9 | R1050 L1051 Y1056 K1057 L1058 | R1050-N1054 WeakPolarHBondContact O-CB 3.27Å; R1050-N1054 PolarHBondContact O-N 3.46Å; L1051-N1054 PolarHBondContact O-N 2.95Å; N1054-Y1056 VanDerWaalsContact C-N 3.32Å; N1054-Y1056 PolarHBondContact O-N 3.36Å; N1054-K1057 PolarHBondContact O-N 3.39Å; N1054-L1058 WeakPolarHBondContact O-CG 3.36Å; N1054-L1058 PolarHBondContact O-N 2.87Å |
| 1055 | Q | 89.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.6 | -70.5 | 174.7 | -1.3 | 0 | 0 | 111.3 | L1051 L1052 L1058 K1059 T1185 | L1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; L1051-Q1055 PolarHBondContact O-N 2.78Å; L1052-Q1055 PolarHBondContact O-N 3Å; Q1055-L1058 PolarHBondContact O-N 3.36Å; Q1055-K1059 WeakPolarHBondContact O-CB 3.45Å; Q1055-K1059 PolarHBondContact O-N 3.25Å; Q1055-T1185 HydrophobicContact CB-CG2 4Å |
| 1056 | Y | 93.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 175.1 | -179 | -95.6 | 0 | 0 | 0 | 112.3 | L1052 N1054 L1058 K1059 K1060 E1073 K1138 L1140 Q1186 F1188 | L1052-Y1056 WeakPolarHBondContact O-CB 3.37Å; L1052-Y1056 PolarHBondContact O-N 3.26Å; N1054-Y1056 VanDerWaalsContact C-N 3.32Å; N1054-Y1056 PolarHBondContact O-N 3.36Å; Y1056-L1058 PolarHBondContact O-N 3.34Å; Y1056-K1059 PolarHBondContact O-N 3.48Å; Y1056-K1060 HydrophobicContact CE1-CD 4.1Å; Y1056-K1060 WeakPolarHBondContact O-CB 3.4Å; Y1056-K1060 PolarHBondContact O-N 3.03Å; Y1056-E1073 PolarHBondContact OH-OE2 2.91Å; Y1056-K1138 HydrophobicContact CE1-CB 4.23Å; Y1056-K1138 HydrophobicContact CE2-CB 4.41Å; Y1056-K1138 WeakPolarHBondContact CE2-O 3.28Å; Y1056-L1140 HydrophobicContact CD2-CD1 4.27Å; Y1056-L1140 HydrophobicContact CD2-CG 4.41Å; Y1056-L1140 HydrophobicContact CE2-CD1 3.94Å; Y1056-L1140 HydrophobicContact CE2-CD2 4.22Å; Y1056-L1140 HydrophobicContact CE2-CG 3.6Å; Y1056-L1140 VanDerWaalsContact OH-CD2 3.3Å; Y1056-L1140 WeakPolarHBondContact OH-CD2 3.49Å; Y1056-Q1186 WeakPolarHBondContact CE2-O 3.38Å; Y1056-F1188 HydrophobicContact CD1-CB 4.1Å; Y1056-F1188 HydrophobicContact CD2-CB 3.68Å; Y1056-F1188 HydrophobicContact CE2-CB 4.15Å; Y1056-F1188 HydrophobicContact CG-CB 3.66Å |
| 1057 | K | 91.1 | Very high | 87.2 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -42 | 179.7 | -173.7 | -178.7 | 178.2 | -173.7 | 0 | 112 | Y1053 N1054 K1060 A1061 | Y1053-K1057 VanDerWaalsContact O-CB 3.29Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.41Å; Y1053-K1057 PolarHBondContact O-N 2.88Å; N1054-K1057 PolarHBondContact O-N 3.39Å; K1057-K1060 PolarHBondContact O-N 2.96Å; K1057-A1061 PolarHBondContact O-N 3.05Å; K1057-A1061 VanDerWaalsContact O-N 3.11Å |
| 1058 | L | 89.1 | Confident | 86.6 | Confident | 131 Ų | 131 | 73.2 Ų | 73.2 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 173.7 | -70.5 | 170.7 | 0 | 0 | 0 | 111.3 | N1054 Q1055 Y1056 K1060 A1061 S1062 | N1054-L1058 WeakPolarHBondContact O-CG 3.36Å; N1054-L1058 PolarHBondContact O-N 2.87Å; Q1055-L1058 PolarHBondContact O-N 3.36Å; Y1056-L1058 PolarHBondContact O-N 3.34Å; L1058-K1060 VanDerWaalsContact C-N 3.32Å; L1058-K1060 PolarHBondContact O-N 3.25Å; L1058-A1061 PolarHBondContact O-N 3.25Å; L1058-S1062 PolarHBondContact O-N 2.99Å; L1058-S1062 VanDerWaalsContact O-N 3.15Å |
| 1059 | K | 89.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 176.7 | -173.6 | 55 | -173.4 | 153 | 0 | 112 | Q1055 Y1056 S1062 V1063 L1140 Q1186 | Q1055-K1059 WeakPolarHBondContact O-CB 3.45Å; Q1055-K1059 PolarHBondContact O-N 3.25Å; Y1056-K1059 PolarHBondContact O-N 3.48Å; K1059-S1062 WeakPolarHBondContact O-CB 3.35Å; K1059-S1062 PolarHBondContact O-N 3.24Å; K1059-V1063 HydrophobicContact CD-CG2 4.23Å; K1059-V1063 HydrophobicContact CG-CG2 4.47Å; K1059-V1063 WeakPolarHBondContact O-CG2 3.32Å; K1059-V1063 PolarHBondContact O-N 2.9Å; K1059-L1140 HydrophobicContact CB-CD1 3.93Å; K1059-L1140 HydrophobicContact CG-CD1 3.75Å; K1059-Q1186 HydrophobicContact CG-CG 4.16Å |
| 1060 | K | 91.4 | Very high | 85.9 | Confident | 56 Ų | 56 | 78 Ų | 78 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.7 | -175.9 | 169.5 | -176.7 | 177.4 | 0 | 111.6 | Y1056 K1057 L1058 S1062 V1063 L1064 E1073 L1140 | Y1056-K1060 HydrophobicContact CE1-CD 4.1Å; Y1056-K1060 WeakPolarHBondContact O-CB 3.4Å; Y1056-K1060 PolarHBondContact O-N 3.03Å; K1057-K1060 PolarHBondContact O-N 2.96Å; L1058-K1060 VanDerWaalsContact C-N 3.32Å; L1058-K1060 PolarHBondContact O-N 3.25Å; K1060-S1062 PolarHBondContact O-N 3.36Å; K1060-V1063 PolarHBondContact O-N 3.38Å; K1060-L1064 HydrophobicContact CG-CD1 3.83Å; K1060-L1064 HydrophobicContact CG-CG 4.42Å; K1060-L1064 WeakPolarHBondContact O-CB 3.4Å; K1060-L1064 VanDerWaalsContact O-CG 3.27Å; K1060-L1064 WeakPolarHBondContact O-CG 3.24Å; K1060-L1064 PolarHBondContact O-N 2.96Å; K1060-E1073 WeakPolarHBondContact CE-OE2 3.12Å; K1060-E1073 IonicContact NZ-OE1 3.58Å; K1060-E1073 PolarHBondContact NZ-OE1 3.25Å; K1060-E1073 IonicContact NZ-OE2 3.65Å; K1060-E1073 PolarHBondContact NZ-OE2 2.84Å; K1060-L1140 HydrophobicContact CB-CD1 3.92Å; K1060-L1140 HydrophobicContact CB-CD2 3.77Å; K1060-L1140 HydrophobicContact CB-CG 4.48Å; K1060-L1140 HydrophobicContact CD-CD2 4.21Å; K1060-L1140 HydrophobicContact CG-CD2 3.7Å; K1060-L1140 VanDerWaalsContact N-CD1 3.32Å |
| 1061 | A | 87.4 | Confident | 86 | Confident | 50 Ų | 50 | 74 Ų | 74 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1057 L1058 V1063 L1064 Q1065 | K1057-A1061 PolarHBondContact O-N 3.05Å; K1057-A1061 VanDerWaalsContact O-N 3.11Å; L1058-A1061 PolarHBondContact O-N 3.25Å; A1061-V1063 PolarHBondContact O-N 3.49Å; A1061-L1064 PolarHBondContact O-N 3.4Å; A1061-Q1065 WeakPolarHBondContact O-CG 3.21Å; A1061-Q1065 PolarHBondContact O-N 2.9Å |
| 1062 | S | 87.2 | Confident | 86.2 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.8 | 164.8 | 0 | 0 | 0 | 0 | 113.4 | L1058 K1059 K1060 H1066 | L1058-S1062 PolarHBondContact O-N 2.99Å; L1058-S1062 VanDerWaalsContact O-N 3.15Å; K1059-S1062 WeakPolarHBondContact O-CB 3.35Å; K1059-S1062 PolarHBondContact O-N 3.24Å; K1060-S1062 PolarHBondContact O-N 3.36Å; S1062-H1066 PolarHBondContact O-ND1 3.31Å |
| 1063 | V | 86.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -75.7 | -39.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | K1059 K1060 A1061 Q1065 H1066 S1067 V1072 D1167 | K1059-V1063 HydrophobicContact CD-CG2 4.23Å; K1059-V1063 HydrophobicContact CG-CG2 4.47Å; K1059-V1063 WeakPolarHBondContact O-CG2 3.32Å; K1059-V1063 PolarHBondContact O-N 2.9Å; K1060-V1063 PolarHBondContact O-N 3.38Å; A1061-V1063 PolarHBondContact O-N 3.49Å; V1063-Q1065 PolarHBondContact O-N 2.93Å; V1063-H1066 PolarHBondContact O-N 3.42Å; V1063-S1067 WeakPolarHBondContact O-CB 3.39Å; V1063-S1067 PolarHBondContact O-N 3.07Å; V1063-V1072 HydrophobicContact CB-CG1 4.11Å; V1063-V1072 HydrophobicContact CG1-CG1 3.49Å; V1063-V1072 VanDerWaalsContact CG1-CG1 3.49Å; V1063-D1167 HydrophobicContact CG1-CB 4.46Å |
| 1064 | L | 87.5 | Confident | 86.7 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 52% | 0.524 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.9 | -30.4 | 177.4 | -79.4 | 165.9 | 0 | 0 | 0 | 113.3 | K1060 A1061 H1066 V1072 | K1060-L1064 HydrophobicContact CG-CD1 3.83Å; K1060-L1064 HydrophobicContact CG-CG 4.42Å; K1060-L1064 WeakPolarHBondContact O-CB 3.4Å; K1060-L1064 VanDerWaalsContact O-CG 3.27Å; K1060-L1064 WeakPolarHBondContact O-CG 3.24Å; K1060-L1064 PolarHBondContact O-N 2.96Å; A1061-L1064 PolarHBondContact O-N 3.4Å; L1064-H1066 VanDerWaalsContact C-N 3.32Å; L1064-H1066 PolarHBondContact O-N 3.34Å; L1064-V1072 HydrophobicContact CD2-CB 4.13Å; L1064-V1072 HydrophobicContact CD2-CG1 4.46Å; L1064-V1072 HydrophobicContact CD2-CG2 3.81Å |
| 1065 | Q | 82.2 | Confident | 87.1 | Confident | 149 Ų | 149 | 72.8 Ų | 72.8 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.1 | 175.9 | -73.5 | 171.9 | -13.2 | 0 | 0 | 114.5 | A1061 V1063 | A1061-Q1065 WeakPolarHBondContact O-CG 3.21Å; A1061-Q1065 PolarHBondContact O-N 2.9Å; V1063-Q1065 PolarHBondContact O-N 2.93Å |
| 1066 | H | 79.8 | Confident | 87.4 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 0.8 | -167.1 | -57.7 | 93 | 0 | 0 | 0 | 114.5 | S1062 V1063 L1064 | S1062-H1066 PolarHBondContact O-ND1 3.31Å; V1063-H1066 PolarHBondContact O-N 3.42Å; L1064-H1066 VanDerWaalsContact C-N 3.32Å; L1064-H1066 PolarHBondContact O-N 3.34Å |
| 1067 | S | 81.3 | Confident | 87.5 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | trans | -82.5 | 135 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | V1063 Q1069 V1072 D1143 | V1063-S1067 WeakPolarHBondContact O-CB 3.39Å; V1063-S1067 PolarHBondContact O-N 3.07Å; S1067-Q1069 PolarHBondContact OG-N 2.64Å; S1067-Q1069 PolarHBondContact OG-O 3.41Å; S1067-Q1069 VanDerWaalsContact OG-O 3.1Å; S1067-V1072 WeakPolarHBondContact OG-CG2 3.21Å; S1067-D1143 PolarHBondContact OG-OD1 3.43Å | ||
| 1068 | T | 80.2 | Confident | 87.6 | Confident | 121 Ų | 121 | 65.1 Ų | 65.1 | 74% | 0.742 | 35% | 0.35 | S | S | * | . | trans | -92.9 | -20 | 169.1 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | D1143 | T1068-D1143 WeakPolarHBondContact CA-OD1 3.46Å; T1068-D1143 VanDerWaalsContact N-CG 3.3Å; T1068-D1143 PolarHBondContact N-OD1 2.96Å; T1068-D1143 PolarHBondContact N-OD2 3.12Å; T1068-D1143 PolarHBondContact OG1-OD1 2.98Å; T1068-D1143 PolarHBondContact OG1-OD2 3.07Å | ||
| 1069 | Q | 77.9 | Confident | 87.8 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -69.7 | 134.8 | 171.1 | -73.9 | -68.6 | -40.8 | 0 | 0 | 111.9 | S1067 I1071 G1142 D1143 F1144 | S1067-Q1069 PolarHBondContact OG-N 2.64Å; S1067-Q1069 PolarHBondContact OG-O 3.41Å; S1067-Q1069 VanDerWaalsContact OG-O 3.1Å; Q1069-I1071 VanDerWaalsContact C-N 3.29Å; Q1069-I1071 PolarHBondContact O-N 2.87Å; Q1069-G1142 WeakPolarHBondContact CG-O 3.29Å; Q1069-D1143 WeakPolarHBondContact CG-OD1 3.22Å; Q1069-D1143 PolarHBondContact N-OD1 3.37Å; Q1069-F1144 HydrophobicContact CG-CD1 4.42Å; Q1069-F1144 HydrophobicContact CG-CE1 4.15Å |
| 1070 | P | 75.9 | Confident | 88 | Confident | 123 Ų | 123 | 58 Ų | 58 | 80% | 0.799 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.5 | -18.6 | 176.5 | 30.9 | -35.8 | 0 | 0 | 0 | 113.2 | ||
| 1071 | I | 85.7 | Confident | 88 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | trans | -114.3 | 98.4 | 175.8 | -59.5 | 175.9 | 0 | 0 | 0 | 107.3 | Q1069 E1073 R1074 | Q1069-I1071 VanDerWaalsContact C-N 3.29Å; Q1069-I1071 PolarHBondContact O-N 2.87Å; I1071-E1073 VanDerWaalsContact CG2-O 3.3Å; I1071-E1073 WeakPolarHBondContact CG2-O 3.49Å; I1071-R1074 HydrophobicContact CG2-CG 3.87Å; I1071-R1074 PolarHBondContact O-NH1 3.3Å | ||
| 1072 | V | 90 | Very high | 88.2 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | trans | -86 | -47 | -178.5 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | V1063 L1064 S1067 L1140 T1141 G1142 | V1063-V1072 HydrophobicContact CB-CG1 4.11Å; V1063-V1072 HydrophobicContact CG1-CG1 3.49Å; V1063-V1072 VanDerWaalsContact CG1-CG1 3.49Å; L1064-V1072 HydrophobicContact CD2-CB 4.13Å; L1064-V1072 HydrophobicContact CD2-CG1 4.46Å; L1064-V1072 HydrophobicContact CD2-CG2 3.81Å; S1067-V1072 WeakPolarHBondContact OG-CG2 3.21Å; V1072-L1140 HydrophobicContact CG1-CD2 4.34Å; V1072-L1140 CarbonylContact O-C 3.47Å; V1072-T1141 PolarHBondContact O-N 3.09Å; V1072-T1141 PolarHBondContact O-OG1 3.45Å; V1072-G1142 PolarHBondContact O-N 2.93Å | ||
| 1073 | E | 95.2 | Very high | 88.2 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.5 | 177.6 | 174.7 | 179.2 | 61.1 | 0 | 0 | 109.8 | Y1056 K1060 I1071 K1138 V1139 L1140 | Y1056-E1073 PolarHBondContact OH-OE2 2.91Å; K1060-E1073 WeakPolarHBondContact CE-OE2 3.12Å; K1060-E1073 IonicContact NZ-OE1 3.58Å; K1060-E1073 PolarHBondContact NZ-OE1 3.25Å; K1060-E1073 IonicContact NZ-OE2 3.65Å; K1060-E1073 PolarHBondContact NZ-OE2 2.84Å; I1071-E1073 VanDerWaalsContact CG2-O 3.3Å; I1071-E1073 WeakPolarHBondContact CG2-O 3.49Å; E1073-K1138 HydrophobicContact CG-CB 4.38Å; E1073-K1138 HydrophobicContact CG-CG 4.42Å; E1073-V1139 WeakPolarHBondContact CA-O 3.5Å; E1073-L1140 HydrophobicContact CB-CD2 4.35Å |
| 1074 | R | 93.8 | Very high | 88.4 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.4 | 171.4 | -69.3 | 177.9 | 171.1 | 74.9 | 4.4 | 109.3 | I1071 L1076 V1139 T1141 | I1071-R1074 HydrophobicContact CG2-CG 3.87Å; I1071-R1074 PolarHBondContact O-NH1 3.3Å; R1074-L1076 HydrophobicContact CB-CD1 4.43Å; R1074-L1076 HydrophobicContact CB-CD2 4.02Å; R1074-L1076 HydrophobicContact CB-CG 4Å; R1074-V1139 PolarHBondContact N-O 2.84Å; R1074-V1139 PolarHBondContact O-N 3.31Å; R1074-T1141 HydrophobicContact CB-CG2 4.37Å; R1074-T1141 PolarHBondContact NH1-OG1 3.41Å |
| 1075 | V | 94.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.5 | 166.7 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | A1136 S1137 K1138 | V1075-A1136 HydrophobicContact CG1-CB 4.5Å; V1075-S1137 WeakPolarHBondContact CA-O 3.47Å; V1075-K1138 HydrophobicContact CG2-CG 4.31Å |
| 1076 | L | 95.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 162.7 | -176 | -56.2 | 177.1 | 0 | 0 | 0 | 110.7 | R1074 F1111 V1113 S1137 V1139 T1141 F1179 | R1074-L1076 HydrophobicContact CB-CD1 4.43Å; R1074-L1076 HydrophobicContact CB-CD2 4.02Å; R1074-L1076 HydrophobicContact CB-CG 4Å; L1076-F1111 HydrophobicContact CB-CB 3.73Å; L1076-F1111 HydrophobicContact CB-CD1 4.38Å; L1076-F1111 HydrophobicContact CB-CG 4.42Å; L1076-F1111 HydrophobicContact CD1-CB 3.72Å; L1076-F1111 HydrophobicContact CG-CB 4.39Å; L1076-V1113 HydrophobicContact CD2-CB 4.3Å; L1076-V1113 HydrophobicContact CD2-CG2 3.81Å; L1076-S1137 PolarHBondContact N-O 2.83Å; L1076-S1137 PolarHBondContact O-N 2.94Å; L1076-V1139 HydrophobicContact CB-CG2 4.13Å; L1076-V1139 HydrophobicContact CD1-CB 3.88Å; L1076-V1139 HydrophobicContact CD1-CG1 4.16Å; L1076-V1139 HydrophobicContact CD1-CG2 4.05Å; L1076-V1139 HydrophobicContact CG-CB 4.39Å; L1076-V1139 HydrophobicContact CG-CG2 4.33Å; L1076-T1141 HydrophobicContact CD1-CG2 3.94Å; L1076-F1179 HydrophobicContact CD1-CB 3.99Å; L1076-F1179 HydrophobicContact CD1-CD2 3.65Å; L1076-F1179 HydrophobicContact CD1-CG 4.15Å; L1076-F1179 HydrophobicContact CD2-CD2 4.17Å; L1076-F1179 HydrophobicContact CD2-CE2 4.47Å |
| 1077 | Y | 95.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 6% | 0.059 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.6 | -172.1 | -58.5 | -82.3 | 0 | 0 | 0 | 112.9 | N1027 F1028 A1112 S1118 I1134 F1135 A1136 I1193 | N1027-Y1077 PolarHBondContact O-OH 2.97Å; F1028-Y1077 HydrophobicContact CB-CE1 4.48Å; F1028-Y1077 HydrophobicContact CD2-CD1 4.21Å; F1028-Y1077 AromaticContact CD2-CE1 3.92Å; F1028-Y1077 HydrophobicContact CD2-CE1 3.92Å; F1028-Y1077 PolarHBondContact N-OH 2.79Å; Y1077-A1112 PolarHBondContact N-O 3.22Å; Y1077-A1112 PolarHBondContact O-N 3Å; Y1077-S1118 PolarHBondContact O-OG 3.39Å; Y1077-I1134 HydrophobicContact CD1-CG2 4.28Å; Y1077-F1135 CarbonylContact C-O 3.58Å; Y1077-F1135 VanDerWaalsContact CA-O 3.31Å; Y1077-F1135 WeakPolarHBondContact CA-O 3.39Å; Y1077-A1136 HydrophobicContact CD1-CB 4.05Å; Y1077-A1136 HydrophobicContact CE1-CB 3.94Å; Y1077-I1193 HydrophobicContact CE1-CD1 4.47Å |
| 1078 | H | 94.6 | Very high | 89.7 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 17% | 0.171 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 108.3 | 175.4 | -176 | 93.5 | 0 | 0 | 0 | 110.8 | F1093 Y1110 F1111 I1134 F1135 | H1078-F1093 HydrophobicContact CB-CE1 4Å; H1078-F1093 HydrophobicContact CB-CZ 4.36Å; H1078-F1093 AromaticContact CD2-CE1 3.69Å; H1078-F1093 AromaticContact CG-CE1 3.74Å; H1078-Y1110 PolarHBondContact ND1-O 2.91Å; H1078-F1111 HydrophobicContact CB-CD1 3.87Å; H1078-F1111 HydrophobicContact CB-CE1 3.87Å; H1078-I1134 WeakPolarHBondContact O-CA 3.44Å; H1078-F1135 HydrophobicContact CB-CB 4.45Å; H1078-F1135 PolarHBondContact N-O 2.83Å; H1078-F1135 PolarHBondContact O-N 3.07Å |
| 1079 | G | 93.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1123 | G1079-Y1123 CarbonylContact C-O 3.48Å; G1079-Y1123 VanDerWaalsContact O-O 3.11Å |
| 1080 | T | 93.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 171.3 | 177.4 | -161.8 | 0 | 0 | 0 | 0 | 113 | V1085 I1088 Y1123 S1124 F1133 F1135 | T1080-V1085 HydrophobicContact CG2-CG2 3.83Å; T1080-I1088 HydrophobicContact CG2-CD1 4.28Å; T1080-Y1123 CarbonylContact C-O 3.6Å; T1080-Y1123 WeakPolarHBondContact CA-O 3.38Å; T1080-Y1123 PolarHBondContact N-O 2.98Å; T1080-S1124 WeakPolarHBondContact O-CA 3.44Å; T1080-F1133 PolarHBondContact N-O 2.99Å; T1080-F1135 HydrophobicContact CG2-CD2 4.17Å; T1080-F1135 HydrophobicContact CG2-CE2 3.77Å |
| 1081 | S | 91.8 | Very high | 91 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | trans | -83.5 | 145.5 | 170.7 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | G1083 S1084 | S1081-G1083 VanDerWaalsContact C-N 3.26Å; S1081-G1083 PolarHBondContact O-N 3.45Å; S1081-G1083 VanDerWaalsContact O-N 3.08Å; S1081-S1084 PolarHBondContact O-N 3.42Å | ||
| 1082 | E | 91.5 | Very high | 91.2 | Very high | 95 Ų | 95 | 46.2 Ų | 46.2 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -43.3 | -46.5 | 179.1 | -168.5 | 179.5 | 164.2 | 0 | 0 | 114.2 | S1084 V1085 N1127 F1133 | E1082-S1084 PolarHBondContact O-N 3.09Å; E1082-S1084 VanDerWaalsContact O-N 3.14Å; E1082-V1085 WeakPolarHBondContact O-CB 3.27Å; E1082-V1085 PolarHBondContact O-N 3.26Å; E1082-N1127 WeakPolarHBondContact OE2-CB 3.47Å; E1082-N1127 PolarHBondContact OE2-ND2 2.91Å; E1082-F1133 HydrophobicContact CB-CD2 3.95Å; E1082-F1133 HydrophobicContact CB-CE2 3.57Å; E1082-F1133 HydrophobicContact CB-CZ 4.22Å; E1082-F1133 HydrophobicContact CG-CD2 4.45Å; E1082-F1133 HydrophobicContact CG-CE2 3.76Å; E1082-F1133 HydrophobicContact CG-CZ 3.88Å |
| 1083 | G | 87.8 | Confident | 91.3 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 69% | 0.691 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.4 | -23.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1081 | S1081-G1083 VanDerWaalsContact C-N 3.26Å; S1081-G1083 PolarHBondContact O-N 3.45Å; S1081-G1083 VanDerWaalsContact O-N 3.08Å |
| 1084 | S | 89.9 | Confident | 91.1 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -98 | -3.8 | 175.5 | -76.2 | 0 | 0 | 0 | 0 | 113.4 | S1081 E1082 E1087 I1088 K1100 | S1081-S1084 PolarHBondContact O-N 3.42Å; E1082-S1084 PolarHBondContact O-N 3.09Å; E1082-S1084 VanDerWaalsContact O-N 3.14Å; S1084-E1087 PolarHBondContact OG-OE2 2.97Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.36Å; S1084-I1088 PolarHBondContact O-N 2.97Å; S1084-I1088 VanDerWaalsContact O-N 3.08Å; S1084-K1100 PolarHBondContact OG-NZ 3.15Å |
| 1085 | V | 91.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.4 | T1080 E1082 E1087 I1088 C1089 F1133 F1135 L1192 | T1080-V1085 HydrophobicContact CG2-CG2 3.83Å; E1082-V1085 WeakPolarHBondContact O-CB 3.27Å; E1082-V1085 PolarHBondContact O-N 3.26Å; V1085-E1087 VanDerWaalsContact C-N 3.31Å; V1085-E1087 PolarHBondContact O-N 2.85Å; V1085-I1088 PolarHBondContact O-N 2.99Å; V1085-C1089 PolarHBondContact O-N 3.39Å; V1085-C1089 PolarHBondContact O-SG 3.22Å; V1085-F1133 HydrophobicContact CG2-CB 3.69Å; V1085-F1133 HydrophobicContact CG2-CD1 4.08Å; V1085-F1133 HydrophobicContact CG2-CD2 4.48Å; V1085-F1133 HydrophobicContact CG2-CG 3.82Å; V1085-F1135 HydrophobicContact CB-CZ 4.44Å; V1085-F1135 HydrophobicContact CG1-CZ 3.99Å; V1085-L1192 HydrophobicContact CG1-CD1 4.17Å; V1085-L1192 HydrophobicContact CG1-CD2 3.57Å |
| 1086 | K | 87.8 | Confident | 90.4 | Very high | 168 Ų | 168 | 48.8 Ų | 48.8 | 73% | 0.73 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | -179.8 | -63.4 | -177.5 | -178.6 | 178.8 | 0 | 112.1 | C1089 V1090 | K1086-C1089 PolarHBondContact O-N 3.44Å; K1086-V1090 WeakPolarHBondContact O-CG2 3.4Å; K1086-V1090 PolarHBondContact O-N 3.36Å; K1086-V1090 VanDerWaalsContact O-N 3.17Å |
| 1087 | E | 88.1 | Confident | 89.8 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.9 | -175.4 | 173 | -144.3 | 0 | 0 | 111.7 | S1084 V1085 V1090 H1091 F1097 | S1084-E1087 PolarHBondContact OG-OE2 2.97Å; V1085-E1087 VanDerWaalsContact C-N 3.31Å; V1085-E1087 PolarHBondContact O-N 2.85Å; E1087-V1090 PolarHBondContact O-N 3.14Å; E1087-H1091 WeakPolarHBondContact O-CB 3.39Å; E1087-H1091 PolarHBondContact O-N 3.41Å; E1087-F1097 VanDerWaalsContact OE1-CE2 3.25Å; E1087-F1097 WeakPolarHBondContact OE1-CE2 3.46Å; E1087-F1097 WeakPolarHBondContact OE1-CZ 3.45Å |
| 1088 | I | 90.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 178.7 | -67.9 | 165.3 | 0 | 0 | 0 | 112 | T1080 S1084 V1085 G1092 F1093 F1135 P1189 | T1080-I1088 HydrophobicContact CG2-CD1 4.28Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.36Å; S1084-I1088 PolarHBondContact O-N 2.97Å; S1084-I1088 VanDerWaalsContact O-N 3.08Å; V1085-I1088 PolarHBondContact O-N 2.99Å; I1088-G1092 WeakPolarHBondContact O-CA 3.37Å; I1088-G1092 PolarHBondContact O-N 2.89Å; I1088-F1093 HydrophobicContact CD1-CD1 4.28Å; I1088-F1093 HydrophobicContact CD1-CE1 4.17Å; I1088-F1093 HydrophobicContact CG1-CD1 4.4Å; I1088-F1093 HydrophobicContact CG2-CD1 3.96Å; I1088-F1093 HydrophobicContact CG2-CE1 3.65Å; I1088-F1093 HydrophobicContact CG2-CE2 4.33Å; I1088-F1093 HydrophobicContact CG2-CG 4.42Å; I1088-F1093 HydrophobicContact CG2-CZ 3.86Å; I1088-F1135 HydrophobicContact CB-CE2 3.86Å; I1088-F1135 HydrophobicContact CB-CZ 3.72Å; I1088-F1135 HydrophobicContact CD1-CD2 4.37Å; I1088-F1135 HydrophobicContact CD1-CE2 3.79Å; I1088-F1135 HydrophobicContact CG1-CE2 4.43Å; I1088-F1135 HydrophobicContact CG2-CD1 4.41Å; I1088-F1135 HydrophobicContact CG2-CD2 4.16Å; I1088-F1135 HydrophobicContact CG2-CE1 3.91Å; I1088-F1135 HydrophobicContact CG2-CE2 3.64Å; I1088-F1135 HydrophobicContact CG2-CZ 3.5Å; I1088-F1135 VanDerWaalsContact CG2-CZ 3.5Å; I1088-P1189 HydrophobicContact CG2-CB 4.3Å; I1088-P1189 HydrophobicContact CG2-CG 4.27Å |
| 1089 | C | 89.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 10% | 0.101 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 176.9 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | P1009 N1049 V1085 K1086 | P1009-C1089 HydrophobicContact CB-CB 4.34Å; P1009-C1089 WeakPolarHBondContact CB-O 3.43Å; P1009-C1089 HydrophobicContact CG-CB 3.99Å; N1049-C1089 PolarHBondContact ND2-O 3.04Å; V1085-C1089 PolarHBondContact O-N 3.39Å; V1085-C1089 PolarHBondContact O-SG 3.22Å; K1086-C1089 PolarHBondContact O-N 3.44Å |
| 1090 | V | 85.4 | Confident | 86.1 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -84 | -45.7 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | P1009 N1049 K1086 E1087 | P1009-V1090 HydrophobicContact CG-CG2 3.91Å; N1049-V1090 PolarHBondContact ND2-O 3.16Å; K1086-V1090 WeakPolarHBondContact O-CG2 3.4Å; K1086-V1090 PolarHBondContact O-N 3.36Å; K1086-V1090 VanDerWaalsContact O-N 3.17Å; E1087-V1090 PolarHBondContact O-N 3.14Å |
| 1091 | H | 86.9 | Confident | 84.9 | Confident | 138 Ų | 138 | 64.3 Ų | 64.3 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -111.5 | -4.5 | -169.3 | -57.2 | -60.7 | 0 | 0 | 0 | 114.7 | E1087 | E1087-H1091 WeakPolarHBondContact O-CB 3.39Å; E1087-H1091 PolarHBondContact O-N 3.41Å |
| 1092 | G | 90.7 | Very high | 83.8 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | trans | 76.2 | -165.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1088 | I1088-G1092 WeakPolarHBondContact O-CA 3.37Å; I1088-G1092 PolarHBondContact O-N 2.89Å | ||
| 1093 | F | 92.5 | Very high | 83.4 | Confident | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.022 | 35% | 0.352 | C | S | . | . | trans | -87 | 114.5 | -177.7 | -64.7 | -77.6 | 0 | 0 | 0 | 111.5 | H1078 I1088 V1109 F1111 F1135 S1137 D1184 A1187 P1189 | H1078-F1093 HydrophobicContact CB-CE1 4Å; H1078-F1093 HydrophobicContact CB-CZ 4.36Å; H1078-F1093 AromaticContact CD2-CE1 3.69Å; H1078-F1093 AromaticContact CG-CE1 3.74Å; I1088-F1093 HydrophobicContact CD1-CD1 4.28Å; I1088-F1093 HydrophobicContact CD1-CE1 4.17Å; I1088-F1093 HydrophobicContact CG1-CD1 4.4Å; I1088-F1093 HydrophobicContact CG2-CD1 3.96Å; I1088-F1093 HydrophobicContact CG2-CE1 3.65Å; I1088-F1093 HydrophobicContact CG2-CE2 4.33Å; I1088-F1093 HydrophobicContact CG2-CG 4.42Å; I1088-F1093 HydrophobicContact CG2-CZ 3.86Å; F1093-V1109 HydrophobicContact CB-CG1 4.02Å; F1093-V1109 HydrophobicContact CB-CG2 4.16Å; F1093-V1109 HydrophobicContact CD1-CG1 4.08Å; F1093-V1109 HydrophobicContact CG-CG1 4.32Å; F1093-F1111 HydrophobicContact CB-CZ 4.37Å; F1093-F1111 HydrophobicContact CD1-CE1 4.32Å; F1093-F1111 AromaticContact CD1-CZ 3.9Å; F1093-F1111 HydrophobicContact CD1-CZ 3.9Å; F1093-F1111 HydrophobicContact CD2-CE1 4.21Å; F1093-F1111 AromaticContact CD2-CZ 3.72Å; F1093-F1111 HydrophobicContact CD2-CZ 3.72Å; F1093-F1111 AromaticContact CE1-CE1 3.99Å; F1093-F1111 HydrophobicContact CE1-CE1 3.99Å; F1093-F1111 HydrophobicContact CE1-CZ 4.05Å; F1093-F1111 AromaticContact CE2-CE1 3.85Å; F1093-F1111 HydrophobicContact CE2-CE1 3.85Å; F1093-F1111 AromaticContact CE2-CZ 3.86Å; F1093-F1111 HydrophobicContact CE2-CZ 3.86Å; F1093-F1111 HydrophobicContact CG-CE1 4.42Å; F1093-F1111 AromaticContact CG-CZ 3.73Å; F1093-F1111 HydrophobicContact CG-CZ 3.73Å; F1093-F1111 AromaticContact CZ-CE1 3.75Å; F1093-F1111 HydrophobicContact CZ-CE1 3.75Å; F1093-F1111 HydrophobicContact CZ-CZ 4.03Å; F1093-F1135 HydrophobicContact CE1-CD2 4.41Å; F1093-F1135 HydrophobicContact CZ-CB 4.1Å; F1093-F1135 HydrophobicContact CZ-CD2 4.46Å; F1093-F1135 HydrophobicContact CZ-CG 4.22Å; F1093-S1137 WeakPolarHBondContact CE2-OG 3.41Å; F1093-S1137 VanDerWaalsContact CZ-OG 3.28Å; F1093-S1137 WeakPolarHBondContact CZ-OG 3.47Å; F1093-D1184 WeakPolarHBondContact O-CA 3.36Å; F1093-D1184 VanDerWaalsContact O-CB 3.23Å; F1093-D1184 WeakPolarHBondContact O-CB 3.36Å; F1093-A1187 HydrophobicContact CD2-CB 3.61Å; F1093-A1187 HydrophobicContact CE2-CB 4.12Å; F1093-A1187 HydrophobicContact CG-CB 4.41Å; F1093-P1189 HydrophobicContact CE2-CB 3.72Å; F1093-P1189 HydrophobicContact CE2-CG 4.04Å; F1093-P1189 HydrophobicContact CZ-CB 3.94Å | ||
| 1094 | N | 89.9 | Confident | 83.4 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | trans | -108 | 117.9 | -177.9 | 179.6 | -12.1 | 0 | 0 | 0 | 111.8 | S1096 F1097 D1184 | N1094-S1096 PolarHBondContact O-N 3.42Å; N1094-S1096 VanDerWaalsContact O-N 3.07Å; N1094-S1096 WeakPolarHBondContact OD1-CB 3.13Å; N1094-S1096 PolarHBondContact OD1-N 2.73Å; N1094-S1096 PolarHBondContact OD1-OG 3.12Å; N1094-F1097 HydrophobicContact CB-CD2 3.89Å; N1094-F1097 HydrophobicContact CB-CE2 4Å; N1094-F1097 PolarHBondContact O-N 3.11Å; N1094-D1184 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 1095 | R | 87.4 | Confident | 83.4 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -58.1 | -21.5 | 179.5 | 67.3 | 173.8 | 172.1 | -76.3 | -27.5 | 114.4 | F1097 C1098 V1109 F1182 D1184 | R1095-F1097 PolarHBondContact O-N 3.03Å; R1095-C1098 WeakPolarHBondContact O-CB 3.25Å; R1095-C1098 PolarHBondContact O-N 3.44Å; R1095-C1098 PolarHBondContact O-SG 3.15Å; R1095-V1109 HydrophobicContact CB-CG2 4.2Å; R1095-F1182 WeakPolarHBondContact CD-O 3.43Å; R1095-F1182 PolarHBondContact NH1-O 2.94Å; R1095-D1184 WeakPolarHBondContact CG-OD1 3.34Å; R1095-D1184 IonicContact CZ-OD2 3.4Å; R1095-D1184 PolarHBondContact N-OD1 3.09Å; R1095-D1184 IonicContact NH1-OD1 3.73Å; R1095-D1184 IonicContact NH1-OD2 3.56Å; R1095-D1184 PolarHBondContact NH1-OD2 2.95Å; R1095-D1184 IonicContact NH2-OD2 2.69Å |
| 1096 | S | 86.1 | Confident | 83.4 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -66.5 | -18.1 | -176.3 | -45.7 | 0 | 0 | 0 | 0 | 112.8 | N1094 | N1094-S1096 PolarHBondContact O-N 3.42Å; N1094-S1096 VanDerWaalsContact O-N 3.07Å; N1094-S1096 WeakPolarHBondContact OD1-CB 3.13Å; N1094-S1096 PolarHBondContact OD1-N 2.73Å; N1094-S1096 PolarHBondContact OD1-OG 3.12Å |
| 1097 | F | 81.8 | Confident | 83.6 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 45% | 0.447 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -94.8 | 9.1 | 175.3 | -56.3 | -64.1 | 0 | 0 | 0 | 114 | E1087 N1094 R1095 | E1087-F1097 VanDerWaalsContact OE1-CE2 3.25Å; E1087-F1097 WeakPolarHBondContact OE1-CE2 3.46Å; E1087-F1097 WeakPolarHBondContact OE1-CZ 3.45Å; N1094-F1097 HydrophobicContact CB-CD2 3.89Å; N1094-F1097 HydrophobicContact CB-CE2 4Å; N1094-F1097 PolarHBondContact O-N 3.11Å; R1095-F1097 PolarHBondContact O-N 3.03Å |
| 1098 | C | 73.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 155.1 | 170.7 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | R1095 T1103 G1108 | R1095-C1098 WeakPolarHBondContact O-CB 3.25Å; R1095-C1098 PolarHBondContact O-N 3.44Å; R1095-C1098 PolarHBondContact O-SG 3.15Å; C1098-T1103 HydrophobicContact CB-CG2 3.86Å; C1098-G1108 WeakPolarHBondContact CB-O 3.26Å |
| 1099 | G | 64.6 | Low | 84 | Confident | 51 Ų | 51 | 56 Ų | 56 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -13.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1101 | G1099-N1101 CarbonylContact C-O 3.57Å; G1099-N1101 WeakPolarHBondContact CA-O 3.21Å; G1099-N1101 PolarHBondContact O-N 3.01Å |
| 1100 | K | 69.1 | Low | 84.2 | Confident | 152 Ų | 152 | 57.5 Ų | 57.5 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -56.9 | -33 | 162.7 | -73.3 | -176.6 | -179.4 | 174.7 | 0 | 111.5 | S1084 | S1084-K1100 PolarHBondContact OG-NZ 3.15Š|
| 1101 | N | 67.3 | Low | 84.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -121.5 | 156.1 | 168 | -88.6 | -52.5 | 0 | 0 | 0 | 109.8 | G1099 T1103 Q1122 Y1123 | G1099-N1101 CarbonylContact C-O 3.57Å; G1099-N1101 WeakPolarHBondContact CA-O 3.21Å; G1099-N1101 PolarHBondContact O-N 3.01Å; N1101-T1103 PolarHBondContact O-N 3Å; N1101-Q1122 PolarHBondContact ND2-O 3.19Å; N1101-Q1122 WeakPolarHBondContact OD1-CG 3.38Å; N1101-Q1122 PolarHBondContact OD1-NE2 3.11Å; N1101-Y1123 HydrophobicContact CB-CD1 4.46Å; N1101-Y1123 HydrophobicContact CB-CE1 4.23Å |
| 1102 | A | 69.3 | Low | 85 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 60% | 0.603 | 27% | 0.269 | S | S | * | . | trans | -62.1 | 120.9 | -170 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1104 | A1102-V1104 VanDerWaalsContact C-N 3.26Å; A1102-V1104 HydrophobicContact CB-CG2 4.14Å; A1102-V1104 PolarHBondContact O-N 3.02Å | ||
| 1103 | T | 82.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | trans | -84.6 | 54.1 | -175.2 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | C1098 N1101 Y1105 G1106 Y1110 H1149 | C1098-T1103 HydrophobicContact CB-CG2 3.86Å; N1101-T1103 PolarHBondContact O-N 3Å; T1103-Y1105 VanDerWaalsContact C-N 3.3Å; T1103-Y1105 PolarHBondContact O-N 3.31Å; T1103-G1106 WeakPolarHBondContact CB-O 3.34Å; T1103-G1106 PolarHBondContact O-N 3.41Å; T1103-Y1110 VanDerWaalsContact CA-OH 3.3Å; T1103-Y1110 WeakPolarHBondContact CA-OH 3.46Å; T1103-Y1110 HydrophobicContact CG2-CE2 4.17Å; T1103-Y1110 PolarHBondContact O-OH 3.26Å; T1103-H1149 WeakPolarHBondContact O-CA 3.42Å; T1103-H1149 PolarHBondContact O-ND1 2.81Å; T1103-H1149 PolarHBondContact OG1-CE1 2.9Å; T1103-H1149 PolarHBondContact OG1-ND1 3.28Å | ||
| 1104 | V | 87.5 | Confident | 85 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -36 | -169.4 | -177.9 | 0 | 0 | 0 | 0 | 114 | A1102 Y1110 C1148 H1149 | A1102-V1104 VanDerWaalsContact C-N 3.26Å; A1102-V1104 HydrophobicContact CB-CG2 4.14Å; A1102-V1104 PolarHBondContact O-N 3.02Å; V1104-Y1110 PolarHBondContact N-OH 3.4Å; V1104-C1148 CarbonylContact O-C 3.55Å; V1104-H1149 WeakPolarHBondContact O-CA 3.41Å; V1104-H1149 PolarHBondContact O-N 3.11Å |
| 1105 | Y | 90.9 | Very high | 85 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 4.9 | -174 | -58.7 | -74.1 | 0 | 0 | 0 | 113.6 | T1103 Y1110 G1147 C1148 V1169 D1171 M1178 | T1103-Y1105 VanDerWaalsContact C-N 3.3Å; T1103-Y1105 PolarHBondContact O-N 3.31Å; Y1105-Y1110 HydrophobicContact CD2-CE1 4.36Å; Y1105-Y1110 PolarHBondContact N-OH 2.94Å; Y1105-G1147 CarbonylContact O-C 3.6Å; Y1105-G1147 VanDerWaalsContact O-CA 3.27Å; Y1105-G1147 WeakPolarHBondContact O-CA 3.25Å; Y1105-C1148 CarbonylContact C-O 3.58Å; Y1105-C1148 PolarHBondContact O-N 2.96Å; Y1105-C1148 VanDerWaalsContact O-N 3.07Å; Y1105-V1169 WeakPolarHBondContact O-CG2 3.38Å; Y1105-D1171 HydrophobicContact CD1-CB 4.47Å; Y1105-D1171 HydrophobicContact CD2-CB 4.28Å; Y1105-D1171 HydrophobicContact CE1-CB 3.96Å; Y1105-D1171 HydrophobicContact CE2-CB 3.74Å; Y1105-M1178 HydrophobicContact CD2-SD 3.62Å; Y1105-M1178 HydrophobicContact CE2-SD 3.88Å |
| 1106 | G | 91.4 | Very high | 85 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | 143.9 | 162.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1103 G1108 Y1110 C1148 M1151 | T1103-G1106 WeakPolarHBondContact CB-O 3.34Å; T1103-G1106 PolarHBondContact O-N 3.41Å; G1106-G1108 VanDerWaalsContact C-N 3.34Å; G1106-G1108 PolarHBondContact O-N 2.86Å; G1106-Y1110 PolarHBondContact N-OH 3.48Å; G1106-Y1110 VanDerWaalsContact O-CE2 3.28Å; G1106-Y1110 WeakPolarHBondContact O-CE2 3.35Å; G1106-Y1110 PolarHBondContact O-OH 2.82Å; G1106-C1148 WeakPolarHBondContact CA-O 3.45Å; G1106-C1148 PolarHBondContact N-O 2.99Å; G1106-M1151 CarbonylContact C-O 3.6Å; G1106-M1151 WeakPolarHBondContact CA-O 3.35Å | ||
| 1107 | Q | 91.9 | Very high | 85.1 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 29% | 0.285 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -88.4 | 71.4 | 178.1 | -60.5 | 179.6 | 8.2 | 0 | 0 | 109.7 | M1151 K1152 | Q1107-M1151 PolarHBondContact N-O 2.66Å; Q1107-K1152 HydrophobicContact CB-CG 4.44Å |
| 1108 | G | 91.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -145 | -172.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1098 G1106 Y1110 I1181 | C1098-G1108 WeakPolarHBondContact CB-O 3.26Å; G1106-G1108 VanDerWaalsContact C-N 3.34Å; G1106-G1108 PolarHBondContact O-N 2.86Å; G1108-Y1110 WeakPolarHBondContact O-CD2 3.06Å; G1108-I1181 CarbonylContact C-O 3.56Å; G1108-I1181 VanDerWaalsContact CA-O 3.27Å; G1108-I1181 WeakPolarHBondContact CA-O 3.37Å |
| 1109 | V | 93.5 | Very high | 86.4 | Confident | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.6 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | F1093 R1095 F1111 V1180 I1181 | F1093-V1109 HydrophobicContact CB-CG1 4.02Å; F1093-V1109 HydrophobicContact CB-CG2 4.16Å; F1093-V1109 HydrophobicContact CD1-CG1 4.08Å; F1093-V1109 HydrophobicContact CG-CG1 4.32Å; R1095-V1109 HydrophobicContact CB-CG2 4.2Å; V1109-F1111 HydrophobicContact CB-CE2 3.9Å; V1109-F1111 HydrophobicContact CG1-CD2 4.21Å; V1109-F1111 HydrophobicContact CG1-CE2 3.43Å; V1109-F1111 VanDerWaalsContact CG1-CE2 3.43Å; V1109-F1111 HydrophobicContact CG1-CZ 3.78Å; V1109-V1180 WeakPolarHBondContact O-CA 3.43Å; V1109-I1181 HydrophobicContact CB-CD1 4.47Å; V1109-I1181 HydrophobicContact CB-CG1 3.99Å; V1109-I1181 PolarHBondContact N-O 2.8Å; V1109-I1181 PolarHBondContact O-N 3.12Å; V1109-I1181 VanDerWaalsContact O-N 3.08Å |
| 1110 | Y | 93.6 | Very high | 87.5 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137 | -176.7 | -75.3 | -109.6 | 0 | 0 | 0 | 111.7 | H1078 T1103 V1104 Y1105 G1106 G1108 M1178 V1180 | H1078-Y1110 PolarHBondContact ND1-O 2.91Å; T1103-Y1110 VanDerWaalsContact CA-OH 3.3Å; T1103-Y1110 WeakPolarHBondContact CA-OH 3.46Å; T1103-Y1110 HydrophobicContact CG2-CE2 4.17Å; T1103-Y1110 PolarHBondContact O-OH 3.26Å; V1104-Y1110 PolarHBondContact N-OH 3.4Å; Y1105-Y1110 HydrophobicContact CD2-CE1 4.36Å; Y1105-Y1110 PolarHBondContact N-OH 2.94Å; G1106-Y1110 PolarHBondContact N-OH 3.48Å; G1106-Y1110 VanDerWaalsContact O-CE2 3.28Å; G1106-Y1110 WeakPolarHBondContact O-CE2 3.35Å; G1106-Y1110 PolarHBondContact O-OH 2.82Å; G1108-Y1110 WeakPolarHBondContact O-CD2 3.06Å; Y1110-M1178 HydrophobicContact CD1-CE 4.04Å; Y1110-M1178 HydrophobicContact CD1-SD 3.67Å; Y1110-M1178 HydrophobicContact CE1-SD 3.85Å; Y1110-V1180 HydrophobicContact CD1-CG2 3.65Å; Y1110-V1180 HydrophobicContact CD2-CG1 4.23Å; Y1110-V1180 HydrophobicContact CD2-CG2 4.24Å; Y1110-V1180 HydrophobicContact CE1-CG2 3.4Å; Y1110-V1180 VanDerWaalsContact CE1-CG2 3.4Å; Y1110-V1180 HydrophobicContact CE2-CG1 3.9Å; Y1110-V1180 HydrophobicContact CE2-CG2 3.99Å; Y1110-V1180 HydrophobicContact CG-CG2 4.05Å |
| 1111 | F | 95.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.4 | 175.4 | -67.7 | -91.3 | 0 | 0 | 0 | 110.3 | L1076 H1078 F1093 V1109 V1139 M1178 F1179 I1181 A1187 | L1076-F1111 HydrophobicContact CB-CB 3.73Å; L1076-F1111 HydrophobicContact CB-CD1 4.38Å; L1076-F1111 HydrophobicContact CB-CG 4.42Å; L1076-F1111 HydrophobicContact CD1-CB 3.72Å; L1076-F1111 HydrophobicContact CG-CB 4.39Å; H1078-F1111 HydrophobicContact CB-CD1 3.87Å; H1078-F1111 HydrophobicContact CB-CE1 3.87Å; F1093-F1111 HydrophobicContact CB-CZ 4.37Å; F1093-F1111 HydrophobicContact CD1-CE1 4.32Å; F1093-F1111 AromaticContact CD1-CZ 3.9Å; F1093-F1111 HydrophobicContact CD1-CZ 3.9Å; F1093-F1111 HydrophobicContact CD2-CE1 4.21Å; F1093-F1111 AromaticContact CD2-CZ 3.72Å; F1093-F1111 HydrophobicContact CD2-CZ 3.72Å; F1093-F1111 AromaticContact CE1-CE1 3.99Å; F1093-F1111 HydrophobicContact CE1-CE1 3.99Å; F1093-F1111 HydrophobicContact CE1-CZ 4.05Å; F1093-F1111 AromaticContact CE2-CE1 3.85Å; F1093-F1111 HydrophobicContact CE2-CE1 3.85Å; F1093-F1111 AromaticContact CE2-CZ 3.86Å; F1093-F1111 HydrophobicContact CE2-CZ 3.86Å; F1093-F1111 HydrophobicContact CG-CE1 4.42Å; F1093-F1111 AromaticContact CG-CZ 3.73Å; F1093-F1111 HydrophobicContact CG-CZ 3.73Å; F1093-F1111 AromaticContact CZ-CE1 3.75Å; F1093-F1111 HydrophobicContact CZ-CE1 3.75Å; F1093-F1111 HydrophobicContact CZ-CZ 4.03Å; V1109-F1111 HydrophobicContact CB-CE2 3.9Å; V1109-F1111 HydrophobicContact CG1-CD2 4.21Å; V1109-F1111 HydrophobicContact CG1-CE2 3.43Å; V1109-F1111 VanDerWaalsContact CG1-CE2 3.43Å; V1109-F1111 HydrophobicContact CG1-CZ 3.78Å; F1111-V1139 HydrophobicContact CB-CG2 4.5Å; F1111-V1139 HydrophobicContact CD1-CG2 3.7Å; F1111-V1139 HydrophobicContact CD2-CG1 4.34Å; F1111-V1139 HydrophobicContact CD2-CG2 4.18Å; F1111-V1139 HydrophobicContact CE1-CG2 3.87Å; F1111-V1139 HydrophobicContact CE2-CG2 4.34Å; F1111-V1139 HydrophobicContact CG-CG2 3.87Å; F1111-V1139 HydrophobicContact CZ-CG2 4.2Å; F1111-M1178 CarbonylContact O-C 3.56Å; F1111-M1178 WeakPolarHBondContact O-CA 3.41Å; F1111-M1178 WeakPolarHBondContact O-CB 3.3Å; F1111-F1179 PolarHBondContact N-O 2.74Å; F1111-F1179 PolarHBondContact O-N 2.86Å; F1111-I1181 HydrophobicContact CD2-CG1 4.34Å; F1111-I1181 HydrophobicContact CE2-CD1 3.71Å; F1111-I1181 HydrophobicContact CE2-CG1 3.83Å; F1111-I1181 HydrophobicContact CZ-CD1 4.42Å; F1111-A1187 HydrophobicContact CE1-CB 4.2Å; F1111-A1187 HydrophobicContact CE2-CB 3.95Å; F1111-A1187 HydrophobicContact CZ-CB 3.46Å; F1111-A1187 VanDerWaalsContact CZ-CB 3.46Å |
| 1112 | A | 94.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 140.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1077 N1114 L1117 S1118 | Y1077-A1112 PolarHBondContact N-O 3.22Å; Y1077-A1112 PolarHBondContact O-N 3Å; A1112-N1114 WeakPolarHBondContact CB-O 3.47Å; A1112-L1117 HydrophobicContact CB-CB 3.93Å; A1112-L1117 HydrophobicContact CB-CD2 3.98Å; A1112-L1117 HydrophobicContact CB-CG 4.34Å; A1112-S1118 WeakPolarHBondContact CB-OG 3.38Å |
| 1113 | V | 92.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -71.6 | -40.4 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L1076 T1177 F1179 | L1076-V1113 HydrophobicContact CD2-CB 4.3Å; L1076-V1113 HydrophobicContact CD2-CG2 3.81Å; V1113-T1177 WeakPolarHBondContact CB-O 3.41Å; V1113-T1177 PolarHBondContact N-O 2.79Å; V1113-F1179 HydrophobicContact CG2-CD2 3.92Å; V1113-F1179 HydrophobicContact CG2-CE2 3.7Å |
| 1114 | N | 90.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 37.4 Ų | 37.4 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -100.2 | 124.2 | 175.1 | -67.2 | -35.8 | 0 | 0 | 0 | 110.5 | T1031 A1112 A1116 L1117 | T1031-N1114 HydrophobicContact CG2-CB 4.48Å; T1031-N1114 VanDerWaalsContact CG2-OD1 3.31Å; T1031-N1114 WeakPolarHBondContact CG2-OD1 3.3Å; A1112-N1114 WeakPolarHBondContact CB-O 3.47Å; N1114-A1116 PolarHBondContact O-N 2.67Å; N1114-A1116 VanDerWaalsContact O-N 3.14Å; N1114-L1117 PolarHBondContact O-N 3.36Å; N1114-L1117 VanDerWaalsContact O-N 3.16Å |
| 1115 | S | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -24.3 | 179 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | F1028 T1031 I1032 L1117 S1118 V1119 | F1028-S1115 PolarHBondContact O-OG 3.36Å; T1031-S1115 PolarHBondContact OG1-N 2.94Å; T1031-S1115 VanDerWaalsContact OG1-N 3.09Å; T1031-S1115 PolarHBondContact OG1-OG 2.95Å; I1032-S1115 VanDerWaalsContact CD1-OG 3.22Å; I1032-S1115 WeakPolarHBondContact CD1-OG 3.26Å; I1032-S1115 WeakPolarHBondContact CG1-OG 3.5Å; S1115-L1117 PolarHBondContact O-N 3.4Å; S1115-L1117 VanDerWaalsContact O-N 3.12Å; S1115-S1118 CarbonylContact O-C 3.41Å; S1115-S1118 PolarHBondContact O-N 2.99Å; S1115-V1119 WeakPolarHBondContact O-CB 3.43Å; S1115-V1119 VanDerWaalsContact O-CG2 3.31Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.4Å; S1115-V1119 PolarHBondContact O-N 3.14Å |
| 1116 | A | 88.2 | Confident | 91 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56 | -25.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1031 I1032 N1114 Q1120 | T1031-A1116 VanDerWaalsContact O-CB 3.25Å; T1031-A1116 WeakPolarHBondContact O-CB 3.32Å; I1032-A1116 HydrophobicContact CB-CB 4.49Å; I1032-A1116 HydrophobicContact CG1-CB 4.28Å; I1032-A1116 HydrophobicContact CG2-CB 4.37Å; N1114-A1116 PolarHBondContact O-N 2.67Å; N1114-A1116 VanDerWaalsContact O-N 3.14Å; A1116-Q1120 WeakPolarHBondContact O-CG 3.44Å |
| 1117 | L | 88.7 | Confident | 91 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.9 | -52.1 | 171.4 | -177.6 | 62.3 | 0 | 0 | 0 | 110.4 | A1112 N1114 S1115 V1119 Q1120 Y1123 M1178 | A1112-L1117 HydrophobicContact CB-CB 3.93Å; A1112-L1117 HydrophobicContact CB-CD2 3.98Å; A1112-L1117 HydrophobicContact CB-CG 4.34Å; N1114-L1117 PolarHBondContact O-N 3.36Å; N1114-L1117 VanDerWaalsContact O-N 3.16Å; S1115-L1117 PolarHBondContact O-N 3.4Å; S1115-L1117 VanDerWaalsContact O-N 3.12Å; L1117-V1119 PolarHBondContact O-N 3.35Å; L1117-Q1120 WeakPolarHBondContact O-CB 3.16Å; L1117-Q1120 WeakPolarHBondContact O-CG 3.44Å; L1117-Q1120 PolarHBondContact O-N 2.99Å; L1117-Y1123 HydrophobicContact CD1-CD2 4.37Å; L1117-Y1123 HydrophobicContact CD1-CE2 3.64Å; L1117-Y1123 HydrophobicContact CG-CD2 4.48Å; L1117-Y1123 HydrophobicContact CG-CE2 4.09Å; L1117-Y1123 VanDerWaalsContact O-CD2 3.26Å; L1117-Y1123 WeakPolarHBondContact O-CD2 3.42Å; L1117-M1178 HydrophobicContact CD2-CE 3.78Å |
| 1118 | S | 91.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -22 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 114 | Y1077 A1112 S1115 S1124 | Y1077-S1118 PolarHBondContact O-OG 3.39Å; A1112-S1118 WeakPolarHBondContact CB-OG 3.38Å; S1115-S1118 CarbonylContact O-C 3.41Å; S1115-S1118 PolarHBondContact O-N 2.99Å; S1118-S1124 WeakPolarHBondContact O-CB 3.41Å; S1118-S1124 PolarHBondContact O-OG 3.32Å |
| 1119 | V | 89.7 | Confident | 90.6 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.5 | 173.6 | 168.3 | 0 | 0 | 0 | 0 | 113.1 | F1028 I1032 I1039 S1115 L1117 K1132 I1134 | F1028-V1119 HydrophobicContact CE2-CG2 3.97Å; F1028-V1119 HydrophobicContact CZ-CG2 3.57Å; I1032-V1119 HydrophobicContact CD1-CG2 4.31Å; I1039-V1119 HydrophobicContact CD1-CG1 3.51Å; I1039-V1119 HydrophobicContact CG1-CG1 3.88Å; S1115-V1119 WeakPolarHBondContact O-CB 3.43Å; S1115-V1119 VanDerWaalsContact O-CG2 3.31Å; S1115-V1119 WeakPolarHBondContact O-CG2 3.4Å; S1115-V1119 PolarHBondContact O-N 3.14Å; L1117-V1119 PolarHBondContact O-N 3.35Å; V1119-K1132 WeakPolarHBondContact O-CE 3.49Å; V1119-K1132 PolarHBondContact O-NZ 3.4Å; V1119-I1134 HydrophobicContact CG2-CD1 4Å; V1119-I1134 HydrophobicContact CG2-CG1 4.18Å |
| 1120 | Q | 88.4 | Confident | 90.4 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -67.3 | 144.8 | 175.7 | -59.5 | 175 | 10.3 | 0 | 0 | 111.1 | A1116 L1117 Q1122 Y1123 S1124 | A1116-Q1120 WeakPolarHBondContact O-CG 3.44Å; L1117-Q1120 WeakPolarHBondContact O-CB 3.16Å; L1117-Q1120 WeakPolarHBondContact O-CG 3.44Å; L1117-Q1120 PolarHBondContact O-N 2.99Å; Q1120-Q1122 PolarHBondContact O-N 2.85Å; Q1120-Y1123 HydrophobicContact CB-CD2 4.11Å; Q1120-Y1123 PolarHBondContact O-N 3.35Å; Q1120-S1124 PolarHBondContact O-N 2.68Å |
| 1121 | D | 89.1 | Confident | 90.4 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.7 | -173 | -52.2 | -55.4 | 0 | 0 | 0 | 113.6 | P1125 K1132 R1197 | D1121-P1125 VanDerWaalsContact O-CA 3.3Å; D1121-P1125 WeakPolarHBondContact O-CA 3.46Å; D1121-K1132 IonicContact OD1-NZ 3.37Å; D1121-K1132 PolarHBondContact OD1-NZ 3.3Å; D1121-R1197 IonicContact OD2-CZ 2.69Å; D1121-R1197 IonicContact OD2-NH1 3.11Å; D1121-R1197 PolarHBondContact OD2-NH1 3.06Å |
| 1122 | Q | 87.9 | Confident | 90.4 | Very high | 110 Ų | 110 | 46.6 Ų | 46.6 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -31.5 | 169.3 | 176 | 171.1 | 8.3 | 0 | 0 | 113.3 | N1101 Q1120 | N1101-Q1122 PolarHBondContact ND2-O 3.19Å; N1101-Q1122 WeakPolarHBondContact OD1-CG 3.38Å; N1101-Q1122 PolarHBondContact OD1-NE2 3.11Å; Q1120-Q1122 PolarHBondContact O-N 2.85Å |
| 1123 | Y | 88.3 | Confident | 90.5 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 26% | 0.263 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -45.7 | -176.5 | -55.9 | -76.2 | 0 | 0 | 0 | 111.3 | G1079 T1080 N1101 L1117 Q1120 P1125 | G1079-Y1123 CarbonylContact C-O 3.48Å; G1079-Y1123 VanDerWaalsContact O-O 3.11Å; T1080-Y1123 CarbonylContact C-O 3.6Å; T1080-Y1123 WeakPolarHBondContact CA-O 3.38Å; T1080-Y1123 PolarHBondContact N-O 2.98Å; N1101-Y1123 HydrophobicContact CB-CD1 4.46Å; N1101-Y1123 HydrophobicContact CB-CE1 4.23Å; L1117-Y1123 HydrophobicContact CD1-CD2 4.37Å; L1117-Y1123 HydrophobicContact CD1-CE2 3.64Å; L1117-Y1123 HydrophobicContact CG-CD2 4.48Å; L1117-Y1123 HydrophobicContact CG-CE2 4.09Å; L1117-Y1123 VanDerWaalsContact O-CD2 3.26Å; L1117-Y1123 WeakPolarHBondContact O-CD2 3.42Å; Q1120-Y1123 HydrophobicContact CB-CD2 4.11Å; Q1120-Y1123 PolarHBondContact O-N 3.35Å; Y1123-P1125 VanDerWaalsContact C-CD 3.43Å; Y1123-P1125 WeakPolarHBondContact O-CD 3.43Å |
| 1124 | S | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -111.2 | 73.9 | 172 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | T1080 S1118 Q1120 K1132 F1133 | T1080-S1124 WeakPolarHBondContact O-CA 3.44Å; S1118-S1124 WeakPolarHBondContact O-CB 3.41Å; S1118-S1124 PolarHBondContact O-OG 3.32Å; Q1120-S1124 PolarHBondContact O-N 2.68Å; S1124-K1132 PolarHBondContact O-NZ 3.16Å; S1124-K1132 PolarHBondContact OG-NZ 3.42Å; S1124-F1133 WeakPolarHBondContact CB-O 3.32Å |
| 1125 | P | 91.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | trans | -60.2 | 132.4 | 178.3 | 26.3 | -34.7 | 0 | 0 | 0 | 110.1 | D1121 Y1123 | D1121-P1125 VanDerWaalsContact O-CA 3.3Å; D1121-P1125 WeakPolarHBondContact O-CA 3.46Å; Y1123-P1125 VanDerWaalsContact C-CD 3.43Å; Y1123-P1125 WeakPolarHBondContact O-CD 3.43Å | ||
| 1126 | P | 91.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | trans | -65.8 | 144.4 | 179.9 | 26.2 | -33.3 | 0 | 0 | 0 | 111.6 | Y1131 K1132 | P1126-Y1131 CarbonylContact C-O 3.57Å; P1126-Y1131 VanDerWaalsContact CA-O 3.3Å; P1126-Y1131 WeakPolarHBondContact CA-O 3.31Å; P1126-K1132 HydrophobicContact CB-CG 3.89Å | ||
| 1127 | N | 91.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | trans | -78.8 | -172.5 | 172 | 86.1 | -20.5 | 0 | 0 | 0 | 112 | E1082 D1129 G1130 Y1131 F1133 | E1082-N1127 WeakPolarHBondContact OE2-CB 3.47Å; E1082-N1127 PolarHBondContact OE2-ND2 2.91Å; N1127-D1129 PolarHBondContact ND2-OD2 3.44Å; N1127-D1129 PolarHBondContact O-N 3.37Å; N1127-D1129 PolarHBondContact OD1-N 2.98Å; N1127-G1130 PolarHBondContact O-N 3.02Å; N1127-G1130 PolarHBondContact OD1-N 2.99Å; N1127-Y1131 PolarHBondContact N-O 3.05Å; N1127-Y1131 WeakPolarHBondContact OD1-CB 3.16Å; N1127-Y1131 PolarHBondContact OD1-N 2.93Å; N1127-F1133 HydrophobicContact CB-CE2 4.38Å | ||
| 1128 | A | 88.9 | Confident | 91.9 | Very high | 106 Ų | 106 | 40.8 Ų | 40.8 | 88% | 0.876 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1130 | A1128-G1130 VanDerWaalsContact C-N 3.31Š|
| 1129 | D | 87.3 | Confident | 92.1 | Very high | 100 Ų | 100 | 40.5 Ų | 40.5 | 54% | 0.535 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.8 | 178.5 | -47.1 | -69.1 | 0 | 0 | 0 | 112.8 | N1127 Y1131 Q1196 | N1127-D1129 PolarHBondContact ND2-OD2 3.44Å; N1127-D1129 PolarHBondContact O-N 3.37Å; N1127-D1129 PolarHBondContact OD1-N 2.98Å; D1129-Y1131 HydrophobicContact CB-CD2 3.65Å; D1129-Y1131 HydrophobicContact CB-CE2 3.59Å; D1129-Y1131 HydrophobicContact CB-CG 4.34Å; D1129-Q1196 PolarHBondContact O-NE2 3.2Å |
| 1130 | G | 89.3 | Confident | 92.4 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 81.7 | 7.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1127 A1128 | N1127-G1130 PolarHBondContact O-N 3.02Å; N1127-G1130 PolarHBondContact OD1-N 2.99Å; A1128-G1130 VanDerWaalsContact C-N 3.31Å |
| 1131 | Y | 93.8 | Very high | 92.7 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.7 | 179.9 | -59.5 | -44.5 | 0 | 0 | 0 | 112.2 | I1042 P1126 N1127 D1129 T1194 C1195 Q1196 | I1042-Y1131 HydrophobicContact CB-CE1 4.5Å; I1042-Y1131 HydrophobicContact CD1-CE1 4.22Å; I1042-Y1131 HydrophobicContact CG1-CD1 4.01Å; I1042-Y1131 HydrophobicContact CG1-CE1 3.84Å; I1042-Y1131 HydrophobicContact CG2-CE1 4.12Å; P1126-Y1131 CarbonylContact C-O 3.57Å; P1126-Y1131 VanDerWaalsContact CA-O 3.3Å; P1126-Y1131 WeakPolarHBondContact CA-O 3.31Å; N1127-Y1131 PolarHBondContact N-O 3.05Å; N1127-Y1131 WeakPolarHBondContact OD1-CB 3.16Å; N1127-Y1131 PolarHBondContact OD1-N 2.93Å; D1129-Y1131 HydrophobicContact CB-CD2 3.65Å; D1129-Y1131 HydrophobicContact CB-CE2 3.59Å; D1129-Y1131 HydrophobicContact CB-CG 4.34Å; Y1131-T1194 HydrophobicContact CG-CG2 4.39Å; Y1131-C1195 CarbonylContact C-O 3.44Å; Y1131-C1195 WeakPolarHBondContact CA-O 3.35Å; Y1131-Q1196 HydrophobicContact CD1-CB 4.17Å; Y1131-Q1196 HydrophobicContact CD1-CG 4.27Å; Y1131-Q1196 HydrophobicContact CE1-CB 4.48Å |
| 1132 | K | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137 | -174.5 | -62.3 | 165.3 | 56.6 | 67.6 | 0 | 108.5 | V1119 D1121 S1124 P1126 I1134 C1195 R1197 | V1119-K1132 WeakPolarHBondContact O-CE 3.49Å; V1119-K1132 PolarHBondContact O-NZ 3.4Å; D1121-K1132 IonicContact OD1-NZ 3.37Å; D1121-K1132 PolarHBondContact OD1-NZ 3.3Å; S1124-K1132 PolarHBondContact O-NZ 3.16Å; S1124-K1132 PolarHBondContact OG-NZ 3.42Å; P1126-K1132 HydrophobicContact CB-CG 3.89Å; K1132-I1134 HydrophobicContact CB-CD1 4.38Å; K1132-C1195 PolarHBondContact N-O 3.08Å; K1132-C1195 PolarHBondContact O-N 2.97Å; K1132-R1197 HydrophobicContact CD-CB 4.37Å |
| 1133 | F | 95.6 | Very high | 93 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.2 | -169.8 | -59.5 | -85.9 | 0 | 0 | 0 | 110.4 | T1080 E1082 V1085 S1124 N1127 L1192 T1194 | T1080-F1133 PolarHBondContact N-O 2.99Å; E1082-F1133 HydrophobicContact CB-CD2 3.95Å; E1082-F1133 HydrophobicContact CB-CE2 3.57Å; E1082-F1133 HydrophobicContact CB-CZ 4.22Å; E1082-F1133 HydrophobicContact CG-CD2 4.45Å; E1082-F1133 HydrophobicContact CG-CE2 3.76Å; E1082-F1133 HydrophobicContact CG-CZ 3.88Å; V1085-F1133 HydrophobicContact CG2-CB 3.69Å; V1085-F1133 HydrophobicContact CG2-CD1 4.08Å; V1085-F1133 HydrophobicContact CG2-CD2 4.48Å; V1085-F1133 HydrophobicContact CG2-CG 3.82Å; S1124-F1133 WeakPolarHBondContact CB-O 3.32Å; N1127-F1133 HydrophobicContact CB-CE2 4.38Å; F1133-L1192 HydrophobicContact CB-CD1 4.19Å; F1133-L1192 HydrophobicContact CD1-CD1 4.37Å; F1133-L1192 HydrophobicContact CD1-CD2 4.43Å; F1133-T1194 HydrophobicContact CD1-CG2 4.28Å; F1133-T1194 HydrophobicContact CE1-CG2 3.87Å; F1133-T1194 HydrophobicContact CZ-CG2 4.44Å |
| 1134 | I | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.3 | 178.7 | -57.3 | 91.3 | 0 | 0 | 0 | 109 | F1028 Y1077 H1078 V1119 K1132 I1193 C1195 | F1028-I1134 HydrophobicContact CE2-CB 4.42Å; F1028-I1134 HydrophobicContact CE2-CG2 4.37Å; Y1077-I1134 HydrophobicContact CD1-CG2 4.28Å; H1078-I1134 WeakPolarHBondContact O-CA 3.44Å; V1119-I1134 HydrophobicContact CG2-CD1 4Å; V1119-I1134 HydrophobicContact CG2-CG1 4.18Å; K1132-I1134 HydrophobicContact CB-CD1 4.38Å; I1134-I1193 PolarHBondContact N-O 2.85Å; I1134-I1193 WeakPolarHBondContact O-CB 3.49Å; I1134-I1193 PolarHBondContact O-N 3.44Å; I1134-C1195 VanDerWaalsContact CD1-SG 3.57Å |
| 1135 | F | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.7 | 168.1 | -67.9 | -86.4 | 0 | 0 | 0 | 110.3 | L1047 Y1077 H1078 T1080 V1085 I1088 F1093 P1189 Y1191 L1192 | L1047-F1135 HydrophobicContact CD1-CD1 3.71Å; L1047-F1135 HydrophobicContact CD1-CE1 3.52Å; Y1077-F1135 CarbonylContact C-O 3.58Å; Y1077-F1135 VanDerWaalsContact CA-O 3.31Å; Y1077-F1135 WeakPolarHBondContact CA-O 3.39Å; H1078-F1135 HydrophobicContact CB-CB 4.45Å; H1078-F1135 PolarHBondContact N-O 2.83Å; H1078-F1135 PolarHBondContact O-N 3.07Å; T1080-F1135 HydrophobicContact CG2-CD2 4.17Å; T1080-F1135 HydrophobicContact CG2-CE2 3.77Å; V1085-F1135 HydrophobicContact CB-CZ 4.44Å; V1085-F1135 HydrophobicContact CG1-CZ 3.99Å; I1088-F1135 HydrophobicContact CB-CE2 3.86Å; I1088-F1135 HydrophobicContact CB-CZ 3.72Å; I1088-F1135 HydrophobicContact CD1-CD2 4.37Å; I1088-F1135 HydrophobicContact CD1-CE2 3.79Å; I1088-F1135 HydrophobicContact CG1-CE2 4.43Å; I1088-F1135 HydrophobicContact CG2-CD1 4.41Å; I1088-F1135 HydrophobicContact CG2-CD2 4.16Å; I1088-F1135 HydrophobicContact CG2-CE1 3.91Å; I1088-F1135 HydrophobicContact CG2-CE2 3.64Å; I1088-F1135 HydrophobicContact CG2-CZ 3.5Å; I1088-F1135 VanDerWaalsContact CG2-CZ 3.5Å; F1093-F1135 HydrophobicContact CE1-CD2 4.41Å; F1093-F1135 HydrophobicContact CZ-CB 4.1Å; F1093-F1135 HydrophobicContact CZ-CD2 4.46Å; F1093-F1135 HydrophobicContact CZ-CG 4.22Å; F1135-P1189 HydrophobicContact CD1-CB 3.66Å; F1135-P1189 HydrophobicContact CE1-CB 4.04Å; F1135-P1189 HydrophobicContact CG-CB 4.39Å; F1135-Y1191 CarbonylContact C-O 3.58Å; F1135-Y1191 VanDerWaalsContact CA-O 3.24Å; F1135-Y1191 WeakPolarHBondContact CA-O 3.28Å; F1135-L1192 HydrophobicContact CD1-CB 4.45Å; F1135-L1192 HydrophobicContact CD1-CD1 4.22Å; F1135-L1192 HydrophobicContact CD2-CD1 4.47Å; F1135-L1192 HydrophobicContact CE1-CB 4.41Å; F1135-L1192 HydrophobicContact CE1-CD1 4.11Å; F1135-L1192 HydrophobicContact CE2-CD1 4.35Å; F1135-L1192 HydrophobicContact CG-CD1 4.41Å; F1135-L1192 HydrophobicContact CZ-CD1 4.18Å |
| 1136 | A | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | V1075 Y1077 E1190 Y1191 I1193 | V1075-A1136 HydrophobicContact CG1-CB 4.5Å; Y1077-A1136 HydrophobicContact CD1-CB 4.05Å; Y1077-A1136 HydrophobicContact CE1-CB 3.94Å; A1136-E1190 PolarHBondContact O-N 2.88Å; A1136-E1190 VanDerWaalsContact O-N 3.15Å; A1136-Y1191 HydrophobicContact CB-CD2 4.3Å; A1136-Y1191 PolarHBondContact N-O 3.35Å; A1136-Y1191 PolarHBondContact O-N 2.82Å; A1136-I1193 HydrophobicContact CB-CD1 4.29Å |
| 1137 | S | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141 | -165.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | V1075 L1076 F1093 F1188 | V1075-S1137 WeakPolarHBondContact CA-O 3.47Å; L1076-S1137 PolarHBondContact N-O 2.83Å; L1076-S1137 PolarHBondContact O-N 2.94Å; F1093-S1137 WeakPolarHBondContact CE2-OG 3.41Å; F1093-S1137 VanDerWaalsContact CZ-OG 3.28Å; F1093-S1137 WeakPolarHBondContact CZ-OG 3.47Å; S1137-F1188 CarbonylContact C-O 3.55Å; S1137-F1188 VanDerWaalsContact CA-O 3.23Å; S1137-F1188 WeakPolarHBondContact CA-O 3.36Å; S1137-F1188 WeakPolarHBondContact CB-O 3.21Å |
| 1138 | K | 95.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.3 | 169.3 | -79.9 | 172.7 | 168.7 | 148.4 | 0 | 108.7 | Y1056 E1073 V1075 A1187 F1188 E1190 | Y1056-K1138 HydrophobicContact CE1-CB 4.23Å; Y1056-K1138 HydrophobicContact CE2-CB 4.41Å; Y1056-K1138 WeakPolarHBondContact CE2-O 3.28Å; E1073-K1138 HydrophobicContact CG-CB 4.38Å; E1073-K1138 HydrophobicContact CG-CG 4.42Å; V1075-K1138 HydrophobicContact CG2-CG 4.31Å; K1138-A1187 WeakPolarHBondContact O-CA 3.47Å; K1138-F1188 PolarHBondContact N-O 3.49Å; K1138-F1188 PolarHBondContact O-N 3.38Å; K1138-E1190 VanDerWaalsContact CD-OE2 3.24Å; K1138-E1190 WeakPolarHBondContact CD-OE2 3.45Å; K1138-E1190 WeakPolarHBondContact CE-OE2 3.43Å; K1138-E1190 IonicContact NZ-OE1 2.67Å; K1138-E1190 PolarHBondContact NZ-OE1 2.57Å; K1138-E1190 IonicContact NZ-OE2 3.04Å; K1138-E1190 PolarHBondContact NZ-OE2 3.02Å |
| 1139 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.9 | -173.3 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | E1073 R1074 L1076 F1111 T1141 I1181 Q1186 A1187 | E1073-V1139 WeakPolarHBondContact CA-O 3.5Å; R1074-V1139 PolarHBondContact N-O 2.84Å; R1074-V1139 PolarHBondContact O-N 3.31Å; L1076-V1139 HydrophobicContact CB-CG2 4.13Å; L1076-V1139 HydrophobicContact CD1-CB 3.88Å; L1076-V1139 HydrophobicContact CD1-CG1 4.16Å; L1076-V1139 HydrophobicContact CD1-CG2 4.05Å; L1076-V1139 HydrophobicContact CG-CB 4.39Å; L1076-V1139 HydrophobicContact CG-CG2 4.33Å; F1111-V1139 HydrophobicContact CB-CG2 4.5Å; F1111-V1139 HydrophobicContact CD1-CG2 3.7Å; F1111-V1139 HydrophobicContact CD2-CG1 4.34Å; F1111-V1139 HydrophobicContact CD2-CG2 4.18Å; F1111-V1139 HydrophobicContact CE1-CG2 3.87Å; F1111-V1139 HydrophobicContact CE2-CG2 4.34Å; F1111-V1139 HydrophobicContact CG-CG2 3.87Å; F1111-V1139 HydrophobicContact CZ-CG2 4.2Å; V1139-T1141 VanDerWaalsContact C-N 3.27Å; V1139-T1141 HydrophobicContact CG1-CG2 4.15Å; V1139-T1141 PolarHBondContact O-N 3.34Å; V1139-I1181 HydrophobicContact CG1-CG2 3.76Å; V1139-Q1186 CarbonylContact C-O 3.52Å; V1139-Q1186 WeakPolarHBondContact CA-O 3.44Å; V1139-A1187 HydrophobicContact CG2-CB 4.08Å |
| 1140 | L | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 74.9 | 176.6 | -61.2 | 173.7 | 0 | 0 | 0 | 110.1 | Y1056 K1059 K1060 V1072 E1073 G1142 Q1186 | Y1056-L1140 HydrophobicContact CD2-CD1 4.27Å; Y1056-L1140 HydrophobicContact CD2-CG 4.41Å; Y1056-L1140 HydrophobicContact CE2-CD1 3.94Å; Y1056-L1140 HydrophobicContact CE2-CD2 4.22Å; Y1056-L1140 HydrophobicContact CE2-CG 3.6Å; Y1056-L1140 VanDerWaalsContact OH-CD2 3.3Å; Y1056-L1140 WeakPolarHBondContact OH-CD2 3.49Å; K1059-L1140 HydrophobicContact CB-CD1 3.93Å; K1059-L1140 HydrophobicContact CG-CD1 3.75Å; K1060-L1140 HydrophobicContact CB-CD1 3.92Å; K1060-L1140 HydrophobicContact CB-CD2 3.77Å; K1060-L1140 HydrophobicContact CB-CG 4.48Å; K1060-L1140 HydrophobicContact CD-CD2 4.21Å; K1060-L1140 HydrophobicContact CG-CD2 3.7Å; K1060-L1140 VanDerWaalsContact N-CD1 3.32Å; V1072-L1140 HydrophobicContact CG1-CD2 4.34Å; V1072-L1140 CarbonylContact O-C 3.47Å; E1073-L1140 HydrophobicContact CB-CD2 4.35Å; L1140-G1142 VanDerWaalsContact C-N 3.3Å; L1140-Q1186 HydrophobicContact CB-CB 4.18Å; L1140-Q1186 HydrophobicContact CB-CG 4.42Å; L1140-Q1186 PolarHBondContact N-O 3.29Å; L1140-Q1186 PolarHBondContact O-NE2 2.85Å |
| 1141 | T | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -63.9 | -31.7 | 175.6 | 45.6 | 0 | 0 | 0 | 0 | 113.4 | V1072 R1074 L1076 V1139 S1168 F1179 | V1072-T1141 PolarHBondContact O-N 3.09Å; V1072-T1141 PolarHBondContact O-OG1 3.45Å; R1074-T1141 HydrophobicContact CB-CG2 4.37Å; R1074-T1141 PolarHBondContact NH1-OG1 3.41Å; L1076-T1141 HydrophobicContact CD1-CG2 3.94Å; V1139-T1141 VanDerWaalsContact C-N 3.27Å; V1139-T1141 HydrophobicContact CG1-CG2 4.15Å; V1139-T1141 PolarHBondContact O-N 3.34Å; T1141-S1168 WeakPolarHBondContact CA-OG 3.49Å; T1141-S1168 WeakPolarHBondContact O-CB 3.22Å; T1141-S1168 PolarHBondContact O-OG 3.47Å; T1141-F1179 HydrophobicContact CG2-CB 3.96Å; T1141-F1179 HydrophobicContact CG2-CD1 3.59Å; T1141-F1179 HydrophobicContact CG2-CD2 3.84Å; T1141-F1179 HydrophobicContact CG2-CE1 3.96Å; T1141-F1179 HydrophobicContact CG2-CE2 4.19Å; T1141-F1179 HydrophobicContact CG2-CG 3.51Å; T1141-F1179 HydrophobicContact CG2-CZ 4.24Å | ||
| 1142 | G | 92 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | 50.8 | -138.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1069 V1072 L1140 F1144 | Q1069-G1142 WeakPolarHBondContact CG-O 3.29Å; V1072-G1142 PolarHBondContact O-N 2.93Å; L1140-G1142 VanDerWaalsContact C-N 3.3Å; G1142-F1144 WeakPolarHBondContact O-CD1 3.27Å | ||
| 1143 | D | 91.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.8 | 129.5 | 167.5 | -73.4 | -10.3 | 0 | 0 | 0 | 109.9 | S1067 T1068 Q1069 K1157 Y1166 D1167 S1168 | S1067-D1143 PolarHBondContact OG-OD1 3.43Å; T1068-D1143 WeakPolarHBondContact CA-OD1 3.46Å; T1068-D1143 VanDerWaalsContact N-CG 3.3Å; T1068-D1143 PolarHBondContact N-OD1 2.96Å; T1068-D1143 PolarHBondContact N-OD2 3.12Å; T1068-D1143 PolarHBondContact OG1-OD1 2.98Å; T1068-D1143 PolarHBondContact OG1-OD2 3.07Å; Q1069-D1143 WeakPolarHBondContact CG-OD1 3.22Å; Q1069-D1143 PolarHBondContact N-OD1 3.37Å; D1143-K1157 WeakPolarHBondContact OD2-CE 3.37Å; D1143-K1157 IonicContact OD2-NZ 2.76Å; D1143-K1157 PolarHBondContact OD2-NZ 2.69Å; D1143-Y1166 HydrophobicContact CB-CD1 4.1Å; D1143-Y1166 CarbonylContact O-C 3.54Å; D1143-Y1166 WeakPolarHBondContact O-CB 3.3Å; D1143-D1167 PolarHBondContact N-OD2 2.93Å; D1143-D1167 PolarHBondContact O-N 2.81Å; D1143-S1168 PolarHBondContact O-N 3.01Å |
| 1144 | F | 93.1 | Very high | 93 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 158.7 | -176.1 | 57.7 | -92.7 | 0 | 0 | 0 | 113.6 | Q1069 G1142 S1168 T1170 I1173 F1179 | Q1069-F1144 HydrophobicContact CG-CD1 4.42Å; Q1069-F1144 HydrophobicContact CG-CE1 4.15Å; G1142-F1144 WeakPolarHBondContact O-CD1 3.27Å; F1144-S1168 VanDerWaalsContact CA-O 3.3Å; F1144-S1168 WeakPolarHBondContact CA-O 3.23Å; F1144-S1168 WeakPolarHBondContact CB-OG 3.33Å; F1144-T1170 HydrophobicContact CD2-CG2 3.67Å; F1144-T1170 HydrophobicContact CE2-CG2 4.21Å; F1144-I1173 HydrophobicContact CE2-CG2 4.32Å; F1144-F1179 HydrophobicContact CB-CD1 4.5Å; F1144-F1179 HydrophobicContact CB-CE1 4.18Å; F1144-F1179 AromaticContact CD1-CE1 3.72Å; F1144-F1179 HydrophobicContact CD1-CE1 3.72Å; F1144-F1179 HydrophobicContact CD1-CZ 4.42Å; F1144-F1179 AromaticContact CD2-CE1 3.97Å; F1144-F1179 HydrophobicContact CD2-CE1 3.97Å; F1144-F1179 HydrophobicContact CE1-CE1 4.04Å; F1144-F1179 HydrophobicContact CE1-CZ 4.3Å; F1144-F1179 HydrophobicContact CE2-CE1 4.26Å; F1144-F1179 HydrophobicContact CG-CD1 4.46Å; F1144-F1179 AromaticContact CG-CE1 3.69Å; F1144-F1179 HydrophobicContact CG-CE1 3.69Å; F1144-F1179 HydrophobicContact CZ-CE1 4.29Å; F1144-F1179 HydrophobicContact CZ-CZ 4.39Å |
| 1145 | T | 93.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 36.7 Ų | 36.7 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 179.6 | 174.9 | -169 | 0 | 0 | 0 | 0 | 111.1 | P1155 Y1166 V1169 T1170 | T1145-P1155 HydrophobicContact CG2-CG 3.42Å; T1145-P1155 VanDerWaalsContact CG2-CG 3.42Å; T1145-Y1166 HydrophobicContact CG2-CD1 4.12Å; T1145-Y1166 HydrophobicContact CG2-CD2 3.57Å; T1145-Y1166 HydrophobicContact CG2-CE1 4.33Å; T1145-Y1166 HydrophobicContact CG2-CE2 3.8Å; T1145-Y1166 HydrophobicContact CG2-CG 3.73Å; T1145-V1169 HydrophobicContact CG2-CG1 4.26Å; T1145-V1169 CarbonylContact O-C 3.58Å; T1145-V1169 WeakPolarHBondContact O-CA 3.42Å; T1145-V1169 WeakPolarHBondContact O-CB 3.37Å; T1145-T1170 PolarHBondContact O-N 3.26Å |
| 1146 | K | 94.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.4 | -176.4 | -168.5 | 161.5 | -173.6 | 133.3 | 0 | 111.7 | T1170 D1171 I1173 | K1146-T1170 WeakPolarHBondContact CA-O 3.19Å; K1146-D1171 WeakPolarHBondContact CE-O 3.17Å; K1146-D1171 PolarHBondContact NZ-O 3.09Å; K1146-I1173 HydrophobicContact CB-CD1 4.07Å; K1146-I1173 HydrophobicContact CB-CG1 4.15Å |
| 1147 | G | 93.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | trans | -85.5 | 165.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1105 T1170 | Y1105-G1147 CarbonylContact O-C 3.6Å; Y1105-G1147 VanDerWaalsContact O-CA 3.27Å; Y1105-G1147 WeakPolarHBondContact O-CA 3.25Å; G1147-T1170 PolarHBondContact N-O 3.14Å | ||
| 1148 | C | 90.9 | Very high | 90.5 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -150.7 | 156.2 | 166.2 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | V1104 Y1105 G1106 S1150 M1151 | V1104-C1148 CarbonylContact O-C 3.55Å; Y1105-C1148 CarbonylContact C-O 3.58Å; Y1105-C1148 PolarHBondContact O-N 2.96Å; Y1105-C1148 VanDerWaalsContact O-N 3.07Å; G1106-C1148 WeakPolarHBondContact CA-O 3.45Å; G1106-C1148 PolarHBondContact N-O 2.99Å; C1148-S1150 VanDerWaalsContact C-N 3.25Å; C1148-S1150 PolarHBondContact O-N 3.49Å; C1148-M1151 WeakPolarHBondContact O-CB 3.39Å; C1148-M1151 WeakPolarHBondContact O-CG 3.41Å; C1148-M1151 PolarHBondContact O-N 3.47Å | ||
| 1149 | H | 88.6 | Confident | 89 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -32.4 | -168.7 | 177 | 63 | 0 | 0 | 0 | 116.2 | T1103 V1104 M1151 | T1103-H1149 WeakPolarHBondContact O-CA 3.42Å; T1103-H1149 PolarHBondContact O-ND1 2.81Å; T1103-H1149 PolarHBondContact OG1-CE1 2.9Å; T1103-H1149 PolarHBondContact OG1-ND1 3.28Å; V1104-H1149 WeakPolarHBondContact O-CA 3.41Å; V1104-H1149 PolarHBondContact O-N 3.11Å; H1149-M1151 VanDerWaalsContact C-N 3.31Å; H1149-M1151 PolarHBondContact O-N 3.44Å |
| 1150 | S | 88.8 | Confident | 86.8 | Confident | 94 Ų | 94 | 62 Ų | 62 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.3 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | C1148 K1152 | C1148-S1150 VanDerWaalsContact C-N 3.25Å; C1148-S1150 PolarHBondContact O-N 3.49Å; S1150-K1152 PolarHBondContact O-N 3.21Å |
| 1151 | M | 91.4 | Very high | 85.2 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 18% | 0.177 | 36% | 0.36 | C | S | . | . | trans | -70.2 | 119.7 | 179.5 | -66.7 | -177.1 | 179.5 | 0 | 0 | 111.4 | G1106 Q1107 C1148 H1149 P1155 V1169 F1182 | G1106-M1151 CarbonylContact C-O 3.6Å; G1106-M1151 WeakPolarHBondContact CA-O 3.35Å; Q1107-M1151 PolarHBondContact N-O 2.66Å; C1148-M1151 WeakPolarHBondContact O-CB 3.39Å; C1148-M1151 WeakPolarHBondContact O-CG 3.41Å; C1148-M1151 PolarHBondContact O-N 3.47Å; H1149-M1151 VanDerWaalsContact C-N 3.31Å; H1149-M1151 PolarHBondContact O-N 3.44Å; M1151-P1155 HydrophobicContact CE-CG 4.16Å; M1151-V1169 HydrophobicContact SD-CG1 4.08Å; M1151-F1182 HydrophobicContact CB-CE1 4.36Å; M1151-F1182 HydrophobicContact CB-CZ 4Å; M1151-F1182 WeakPolarHBondContact O-CE1 3.24Å | ||
| 1152 | K | 89.1 | Confident | 83.9 | Confident | 145 Ų | 145 | 74.3 Ų | 74.3 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -96.9 | -11 | 166.6 | -64.6 | -171.5 | 176.6 | -173.2 | 0 | 113.6 | Q1107 S1150 F1182 | Q1107-K1152 HydrophobicContact CB-CG 4.44Å; S1150-K1152 PolarHBondContact O-N 3.21Å; K1152-F1182 VanDerWaalsContact C-CD1 3.49Å; K1152-F1182 WeakPolarHBondContact O-CD1 3.45Å |
| 1153 | T | 90.1 | Very high | 82.9 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -147.3 | 154.2 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 107.7 | R1165 | T1153-R1165 PolarHBondContact OG1-NH1 2.94Å; T1153-R1165 VanDerWaalsContact OG1-NH1 3.1Å |
| 1154 | A | 90 | Very high | 82.4 | Confident | 6 Ų | 6 | 82.1 Ų | 82.1 | 5% | 0.05 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 145.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1165 Y1166 V1169 F1182 | A1154-R1165 WeakPolarHBondContact O-CD 3.47Å; A1154-R1165 PolarHBondContact O-NH1 3.22Å; A1154-Y1166 WeakPolarHBondContact CB-O 3.43Å; A1154-V1169 HydrophobicContact CB-CG1 4.26Å; A1154-F1182 HydrophobicContact CB-CD2 3.84Å; A1154-F1182 HydrophobicContact CB-CE2 3.99Å |
| 1155 | P | 89.4 | Confident | 82.2 | Confident | 38 Ų | 38 | 87 Ų | 87 | 25% | 0.247 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 168.2 | -176.2 | 28.8 | -35.1 | 0 | 0 | 0 | 112.3 | T1145 M1151 R1165 Y1166 | T1145-P1155 HydrophobicContact CG2-CG 3.42Å; T1145-P1155 VanDerWaalsContact CG2-CG 3.42Å; M1151-P1155 HydrophobicContact CE-CG 4.16Å; P1155-R1165 WeakPolarHBondContact O-CA 3.46Å; P1155-Y1166 HydrophobicContact CG-CD2 4.02Å; P1155-Y1166 PolarHBondContact O-N 2.86Å |
| 1156 | L | 87.4 | Confident | 82.1 | Confident | 88 Ų | 88 | 89 Ų | 89 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 149 | 171.8 | -68.2 | 166.6 | 0 | 0 | 0 | 110.6 | P1163 L1164 R1165 | L1156-P1163 HydrophobicContact CD2-CB 3.94Å; L1156-P1163 WeakPolarHBondContact CD2-O 3.37Å; L1156-L1164 CarbonylContact C-O 3.38Å; L1156-L1164 VanDerWaalsContact CA-O 3.31Å; L1156-L1164 WeakPolarHBondContact CA-O 3.27Å; L1156-L1164 WeakPolarHBondContact CD2-O 3.49Å; L1156-R1165 HydrophobicContact CD2-CG 3.73Å; L1156-R1165 HydrophobicContact CG-CG 4.45Å |
| 1157 | K | 84.6 | Confident | 82 | Confident | 28 Ų | 28 | 84.9 Ų | 84.9 | 12% | 0.122 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 141.9 | 166.4 | -62.9 | -179.9 | -176.6 | 173.3 | 0 | 108.3 | D1143 T1159 L1164 R1165 Y1166 | D1143-K1157 WeakPolarHBondContact OD2-CE 3.37Å; D1143-K1157 IonicContact OD2-NZ 2.76Å; D1143-K1157 PolarHBondContact OD2-NZ 2.69Å; K1157-T1159 VanDerWaalsContact C-N 3.28Å; K1157-T1159 HydrophobicContact CB-CG2 4.31Å; K1157-T1159 PolarHBondContact O-N 3.38Å; K1157-L1164 HydrophobicContact CB-CB 4.49Å; K1157-L1164 HydrophobicContact CD-CB 4.2Å; K1157-L1164 PolarHBondContact N-O 2.76Å; K1157-R1165 WeakPolarHBondContact CE-O 3.16Å; K1157-Y1166 HydrophobicContact CB-CE2 4.33Å; K1157-Y1166 HydrophobicContact CG-CD1 4.32Å; K1157-Y1166 HydrophobicContact CG-CD2 3.87Å; K1157-Y1166 HydrophobicContact CG-CE1 4.28Å; K1157-Y1166 HydrophobicContact CG-CE2 3.83Å; K1157-Y1166 HydrophobicContact CG-CG 4.14Å |
| 1158 | E | 70.1 | Confident | 82.1 | Confident | 201 Ų | 201 | 84.5 Ų | 84.5 | 94% | 0.939 | 44% | 0.436 | S | S | * | . | trans | -79.1 | 77.7 | 176.3 | -66.7 | -178 | 169.5 | 0 | 0 | 109.9 | ||||
| 1159 | T | 63.2 | Low | 82.3 | Confident | 68 Ų | 68 | 82 Ų | 82 | 42% | 0.417 | 42% | 0.419 | S | S | . | . | trans | -129.6 | 118.4 | -178.9 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | K1157 N1161 I1162 | K1157-T1159 VanDerWaalsContact C-N 3.28Å; K1157-T1159 HydrophobicContact CB-CG2 4.31Å; K1157-T1159 PolarHBondContact O-N 3.38Å; T1159-N1161 PolarHBondContact O-N 2.87Å; T1159-I1162 PolarHBondContact OG1-O 2.95Å; T1159-I1162 VanDerWaalsContact OG1-O 3.13Å | ||
| 1160 | E | 51.2 | Low | 82.6 | Confident | 196 Ų | 196 | 76.9 Ų | 76.9 | 92% | 0.916 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -9.7 | -157.9 | -60.4 | -171.6 | 142.3 | 0 | 0 | 117.6 | ||
| 1161 | N | 62 | Low | 82.8 | Confident | 152 Ų | 152 | 73.3 Ų | 73.3 | 81% | 0.813 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | -8 | -173.1 | -74.7 | -83 | 0 | 0 | 0 | 116.2 | T1159 | T1159-N1161 PolarHBondContact O-N 2.87Š|
| 1162 | I | 66.8 | Low | 82.9 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 55% | 0.549 | 37% | 0.374 | S | S | . | . | trans | -142.9 | 129.7 | 178.7 | -52.1 | 179.7 | 0 | 0 | 0 | 109.7 | T1159 L1164 | T1159-I1162 PolarHBondContact OG1-O 2.95Å; T1159-I1162 VanDerWaalsContact OG1-O 3.13Å; I1162-L1164 HydrophobicContact CB-CG 4.37Å; I1162-L1164 HydrophobicContact CG2-CD2 4.48Å; I1162-L1164 HydrophobicContact CG2-CG 3.95Å; I1162-L1164 PolarHBondContact O-N 3.42Å | ||
| 1163 | P | 71.9 | Confident | 82.9 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 70% | 0.695 | 37% | 0.365 | S | S | * | . | trans | -78 | 63.4 | 177.8 | 33.8 | -36.7 | 0 | 0 | 0 | 112.2 | L1156 | L1156-P1163 HydrophobicContact CD2-CB 3.94Å; L1156-P1163 WeakPolarHBondContact CD2-O 3.37Å | ||
| 1164 | L | 80.8 | Confident | 82.9 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | trans | -69.6 | 146.7 | 171.2 | -71.7 | 164.1 | 0 | 0 | 0 | 110.6 | L1156 K1157 I1162 | L1156-L1164 CarbonylContact C-O 3.38Å; L1156-L1164 VanDerWaalsContact CA-O 3.31Å; L1156-L1164 WeakPolarHBondContact CA-O 3.27Å; L1156-L1164 WeakPolarHBondContact CD2-O 3.49Å; K1157-L1164 HydrophobicContact CB-CB 4.49Å; K1157-L1164 HydrophobicContact CD-CB 4.2Å; K1157-L1164 PolarHBondContact N-O 2.76Å; I1162-L1164 HydrophobicContact CB-CG 4.37Å; I1162-L1164 HydrophobicContact CG2-CD2 4.48Å; I1162-L1164 HydrophobicContact CG2-CG 3.95Å; I1162-L1164 PolarHBondContact O-N 3.42Å | ||
| 1165 | R | 88.6 | Confident | 82.9 | Confident | 123 Ų | 123 | 81.7 Ų | 81.7 | 46% | 0.464 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -104.1 | 156.9 | 170.9 | -70.2 | -179.2 | -178.3 | -92.4 | -0.3 | 111.1 | T1153 A1154 P1155 L1156 K1157 | T1153-R1165 PolarHBondContact OG1-NH1 2.94Å; T1153-R1165 VanDerWaalsContact OG1-NH1 3.1Å; A1154-R1165 WeakPolarHBondContact O-CD 3.47Å; A1154-R1165 PolarHBondContact O-NH1 3.22Å; P1155-R1165 WeakPolarHBondContact O-CA 3.46Å; L1156-R1165 HydrophobicContact CD2-CG 3.73Å; L1156-R1165 HydrophobicContact CG-CG 4.45Å; K1157-R1165 WeakPolarHBondContact CE-O 3.16Å |
| 1166 | Y | 91.7 | Very high | 83.1 | Confident | 67 Ų | 67 | 81.4 Ų | 81.4 | 26% | 0.263 | 41% | 0.412 | S | S | . | . | trans | -63.2 | 152.4 | 158.3 | -70.6 | -87 | 0 | 0 | 0 | 109.9 | D1143 T1145 A1154 P1155 K1157 | D1143-Y1166 HydrophobicContact CB-CD1 4.1Å; D1143-Y1166 CarbonylContact O-C 3.54Å; D1143-Y1166 WeakPolarHBondContact O-CB 3.3Å; T1145-Y1166 HydrophobicContact CG2-CD1 4.12Å; T1145-Y1166 HydrophobicContact CG2-CD2 3.57Å; T1145-Y1166 HydrophobicContact CG2-CE1 4.33Å; T1145-Y1166 HydrophobicContact CG2-CE2 3.8Å; T1145-Y1166 HydrophobicContact CG2-CG 3.73Å; A1154-Y1166 WeakPolarHBondContact CB-O 3.43Å; P1155-Y1166 HydrophobicContact CG-CD2 4.02Å; P1155-Y1166 PolarHBondContact O-N 2.86Å; K1157-Y1166 HydrophobicContact CB-CE2 4.33Å; K1157-Y1166 HydrophobicContact CG-CD1 4.32Å; K1157-Y1166 HydrophobicContact CG-CD2 3.87Å; K1157-Y1166 HydrophobicContact CG-CE1 4.28Å; K1157-Y1166 HydrophobicContact CG-CE2 3.83Å; K1157-Y1166 HydrophobicContact CG-CG 4.14Å | ||
| 1167 | D | 92.6 | Very high | 83.3 | Confident | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.128 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -83.5 | -36.1 | -179 | -62.8 | -75 | 0 | 0 | 0 | 111.6 | V1063 D1143 Q1186 | V1063-D1167 HydrophobicContact CG1-CB 4.46Å; D1143-D1167 PolarHBondContact N-OD2 2.93Å; D1143-D1167 PolarHBondContact O-N 2.81Å; D1167-Q1186 PolarHBondContact O-NE2 3.5Å; D1167-Q1186 PolarHBondContact O-OE1 2.97Å |
| 1168 | S | 94.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 175.1 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 112 | T1141 D1143 F1144 V1180 | T1141-S1168 WeakPolarHBondContact CA-OG 3.49Å; T1141-S1168 WeakPolarHBondContact O-CB 3.22Å; T1141-S1168 PolarHBondContact O-OG 3.47Å; D1143-S1168 PolarHBondContact O-N 3.01Å; F1144-S1168 VanDerWaalsContact CA-O 3.3Å; F1144-S1168 WeakPolarHBondContact CA-O 3.23Å; F1144-S1168 WeakPolarHBondContact CB-OG 3.33Å; S1168-V1180 WeakPolarHBondContact CB-O 3.3Å |
| 1169 | V | 95.4 | Very high | 85 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 160.8 | 169.5 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | Y1105 T1145 M1151 A1154 F1179 V1180 F1182 | Y1105-V1169 WeakPolarHBondContact O-CG2 3.38Å; T1145-V1169 HydrophobicContact CG2-CG1 4.26Å; T1145-V1169 CarbonylContact O-C 3.58Å; T1145-V1169 WeakPolarHBondContact O-CA 3.42Å; T1145-V1169 WeakPolarHBondContact O-CB 3.37Å; M1151-V1169 HydrophobicContact SD-CG1 4.08Å; A1154-V1169 HydrophobicContact CB-CG1 4.26Å; V1169-F1179 CarbonylContact O-C 3.58Å; V1169-F1179 WeakPolarHBondContact O-CA 3.26Å; V1169-V1180 HydrophobicContact CG2-CB 3.86Å; V1169-V1180 HydrophobicContact CG2-CG2 4.44Å; V1169-V1180 PolarHBondContact N-O 3.39Å; V1169-V1180 PolarHBondContact O-N 2.87Å; V1169-F1182 HydrophobicContact CB-CE2 4.46Å; V1169-F1182 HydrophobicContact CG1-CE2 4.11Å; V1169-F1182 HydrophobicContact CG2-CE2 3.66Å; V1169-F1182 HydrophobicContact CG2-CZ 3.82Å |
| 1170 | T | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 169.4 | -174.4 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | F1144 T1145 K1146 G1147 D1172 I1173 P1176 M1178 | F1144-T1170 HydrophobicContact CD2-CG2 3.67Å; F1144-T1170 HydrophobicContact CE2-CG2 4.21Å; T1145-T1170 PolarHBondContact O-N 3.26Å; K1146-T1170 WeakPolarHBondContact CA-O 3.19Å; G1147-T1170 PolarHBondContact N-O 3.14Å; T1170-D1172 WeakPolarHBondContact CG2-O 3.46Å; T1170-I1173 HydrophobicContact CG2-CG1 4.38Å; T1170-P1176 HydrophobicContact CG2-CB 4.41Å; T1170-P1176 WeakPolarHBondContact OG1-CB 3.01Å; T1170-M1178 WeakPolarHBondContact CA-O 3.32Å; T1170-M1178 WeakPolarHBondContact CB-O 3.44Å; T1170-M1178 PolarHBondContact OG1-O 3.43Å |
| 1171 | D | 93.7 | Very high | 88.6 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -72.4 | -40.8 | 173.7 | 58.8 | -57.2 | 0 | 0 | 0 | 112.9 | Y1105 K1146 T1177 M1178 | Y1105-D1171 HydrophobicContact CD1-CB 4.47Å; Y1105-D1171 HydrophobicContact CD2-CB 4.28Å; Y1105-D1171 HydrophobicContact CE1-CB 3.96Å; Y1105-D1171 HydrophobicContact CE2-CB 3.74Å; K1146-D1171 WeakPolarHBondContact CE-O 3.17Å; K1146-D1171 PolarHBondContact NZ-O 3.09Å; D1171-T1177 VanDerWaalsContact CG-OG1 3.25Å; D1171-T1177 PolarHBondContact OD1-N 2.91Å; D1171-T1177 PolarHBondContact OD1-OG1 2.69Å; D1171-T1177 WeakPolarHBondContact OD2-CB 3.43Å; D1171-T1177 PolarHBondContact OD2-N 3.47Å; D1171-T1177 PolarHBondContact OD2-OG1 3.01Å; D1171-M1178 HydrophobicContact CB-CG 4.02Å; D1171-M1178 WeakPolarHBondContact OD1-CG 3.44Å; D1171-M1178 PolarHBondContact OD1-N 3.44Å |
| 1172 | D | 91.8 | Very high | 90 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | trans | -143.6 | 131.3 | 176.8 | -165.5 | -82.7 | 0 | 0 | 0 | 111.6 | T1170 T1174 K1175 P1176 | T1170-D1172 WeakPolarHBondContact CG2-O 3.46Å; D1172-T1174 WeakPolarHBondContact OD1-CA 3.29Å; D1172-T1174 WeakPolarHBondContact OD1-CB 3.38Å; D1172-T1174 PolarHBondContact OD1-N 3.27Å; D1172-T1174 PolarHBondContact OD1-OG1 2.96Å; D1172-K1175 PolarHBondContact OD1-N 3.3Å; D1172-K1175 VanDerWaalsContact OD1-N 3.08Å; D1172-P1176 WeakPolarHBondContact O-CA 3.29Å; D1172-P1176 WeakPolarHBondContact O-CB 3.18Å; D1172-P1176 WeakPolarHBondContact O-CD 3.42Å; D1172-P1176 VanDerWaalsContact O-N 3.13Å | ||
| 1173 | I | 90.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 43% | 0.431 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -74.6 | -28.5 | -175.6 | -56.4 | 172.1 | 0 | 0 | 0 | 111.4 | F1144 K1146 T1170 | F1144-I1173 HydrophobicContact CE2-CG2 4.32Å; K1146-I1173 HydrophobicContact CB-CD1 4.07Å; K1146-I1173 HydrophobicContact CB-CG1 4.15Å; T1170-I1173 HydrophobicContact CG2-CG1 4.38Å |
| 1174 | T | 89.4 | Confident | 92 | Very high | 132 Ų | 132 | 46.3 Ų | 46.3 | 81% | 0.81 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -86 | -33.5 | -176.4 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | D1172 | D1172-T1174 WeakPolarHBondContact OD1-CA 3.29Å; D1172-T1174 WeakPolarHBondContact OD1-CB 3.38Å; D1172-T1174 PolarHBondContact OD1-N 3.27Å; D1172-T1174 PolarHBondContact OD1-OG1 2.96Å |
| 1175 | K | 90.7 | Very high | 92.5 | Very high | 165 Ų | 165 | 45 Ų | 45 | 72% | 0.717 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -143.6 | 73.6 | 177.5 | -167.2 | -175.6 | 178.1 | -177.2 | 0 | 110.6 | D1172 T1177 | D1172-K1175 PolarHBondContact OD1-N 3.3Å; D1172-K1175 VanDerWaalsContact OD1-N 3.08Å; K1175-T1177 PolarHBondContact O-N 2.89Å |
| 1176 | P | 92.7 | Very high | 92.7 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | trans | -59.8 | 130.6 | -178.4 | 25.3 | -35.8 | 0 | 0 | 0 | 111 | T1170 D1172 F1179 | T1170-P1176 HydrophobicContact CG2-CB 4.41Å; T1170-P1176 WeakPolarHBondContact OG1-CB 3.01Å; D1172-P1176 WeakPolarHBondContact O-CA 3.29Å; D1172-P1176 WeakPolarHBondContact O-CB 3.18Å; D1172-P1176 WeakPolarHBondContact O-CD 3.42Å; D1172-P1176 VanDerWaalsContact O-N 3.13Å; P1176-F1179 HydrophobicContact CB-CE1 4.21Å; P1176-F1179 HydrophobicContact CB-CE2 3.84Å; P1176-F1179 HydrophobicContact CB-CZ 3.59Å; P1176-F1179 HydrophobicContact CG-CE2 4.08Å; P1176-F1179 HydrophobicContact CG-CZ 3.66Å | ||
| 1177 | T | 92.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -104.6 | -22.4 | 172.3 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | V1113 D1171 K1175 | V1113-T1177 WeakPolarHBondContact CB-O 3.41Å; V1113-T1177 PolarHBondContact N-O 2.79Å; D1171-T1177 VanDerWaalsContact CG-OG1 3.25Å; D1171-T1177 PolarHBondContact OD1-N 2.91Å; D1171-T1177 PolarHBondContact OD1-OG1 2.69Å; D1171-T1177 WeakPolarHBondContact OD2-CB 3.43Å; D1171-T1177 PolarHBondContact OD2-N 3.47Å; D1171-T1177 PolarHBondContact OD2-OG1 3.01Å; K1175-T1177 PolarHBondContact O-N 2.89Å |
| 1178 | M | 93.6 | Very high | 93 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 158.9 | 172.1 | 55.3 | 163.2 | 53.7 | 0 | 0 | 112.6 | Y1105 Y1110 F1111 L1117 T1170 D1171 | Y1105-M1178 HydrophobicContact CD2-SD 3.62Å; Y1105-M1178 HydrophobicContact CE2-SD 3.88Å; Y1110-M1178 HydrophobicContact CD1-CE 4.04Å; Y1110-M1178 HydrophobicContact CD1-SD 3.67Å; Y1110-M1178 HydrophobicContact CE1-SD 3.85Å; F1111-M1178 CarbonylContact O-C 3.56Å; F1111-M1178 WeakPolarHBondContact O-CA 3.41Å; F1111-M1178 WeakPolarHBondContact O-CB 3.3Å; L1117-M1178 HydrophobicContact CD2-CE 3.78Å; T1170-M1178 WeakPolarHBondContact CA-O 3.32Å; T1170-M1178 WeakPolarHBondContact CB-O 3.44Å; T1170-M1178 PolarHBondContact OG1-O 3.43Å; D1171-M1178 HydrophobicContact CB-CG 4.02Å; D1171-M1178 WeakPolarHBondContact OD1-CG 3.44Å; D1171-M1178 PolarHBondContact OD1-N 3.44Å |
| 1179 | F | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148 | 171.4 | -69.7 | -87.6 | 0 | 0 | 0 | 110.6 | L1076 F1111 V1113 T1141 F1144 V1169 P1176 | L1076-F1179 HydrophobicContact CD1-CB 3.99Å; L1076-F1179 HydrophobicContact CD1-CD2 3.65Å; L1076-F1179 HydrophobicContact CD1-CG 4.15Å; L1076-F1179 HydrophobicContact CD2-CD2 4.17Å; L1076-F1179 HydrophobicContact CD2-CE2 4.47Å; F1111-F1179 PolarHBondContact N-O 2.74Å; F1111-F1179 PolarHBondContact O-N 2.86Å; V1113-F1179 HydrophobicContact CG2-CD2 3.92Å; V1113-F1179 HydrophobicContact CG2-CE2 3.7Å; T1141-F1179 HydrophobicContact CG2-CB 3.96Å; T1141-F1179 HydrophobicContact CG2-CD1 3.59Å; T1141-F1179 HydrophobicContact CG2-CD2 3.84Å; T1141-F1179 HydrophobicContact CG2-CE1 3.96Å; T1141-F1179 HydrophobicContact CG2-CE2 4.19Å; T1141-F1179 HydrophobicContact CG2-CG 3.51Å; T1141-F1179 HydrophobicContact CG2-CZ 4.24Å; F1144-F1179 HydrophobicContact CB-CD1 4.5Å; F1144-F1179 HydrophobicContact CB-CE1 4.18Å; F1144-F1179 AromaticContact CD1-CE1 3.72Å; F1144-F1179 HydrophobicContact CD1-CE1 3.72Å; F1144-F1179 HydrophobicContact CD1-CZ 4.42Å; F1144-F1179 AromaticContact CD2-CE1 3.97Å; F1144-F1179 HydrophobicContact CD2-CE1 3.97Å; F1144-F1179 HydrophobicContact CE1-CE1 4.04Å; F1144-F1179 HydrophobicContact CE1-CZ 4.3Å; F1144-F1179 HydrophobicContact CE2-CE1 4.26Å; F1144-F1179 HydrophobicContact CG-CD1 4.46Å; F1144-F1179 AromaticContact CG-CE1 3.69Å; F1144-F1179 HydrophobicContact CG-CE1 3.69Å; F1144-F1179 HydrophobicContact CZ-CE1 4.29Å; F1144-F1179 HydrophobicContact CZ-CZ 4.39Å; V1169-F1179 CarbonylContact O-C 3.58Å; V1169-F1179 WeakPolarHBondContact O-CA 3.26Å; P1176-F1179 HydrophobicContact CB-CE1 4.21Å; P1176-F1179 HydrophobicContact CB-CE2 3.84Å; P1176-F1179 HydrophobicContact CB-CZ 3.59Å; P1176-F1179 HydrophobicContact CG-CE2 4.08Å; P1176-F1179 HydrophobicContact CG-CZ 3.66Å |
| 1180 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 109 | V1109 Y1110 S1168 V1169 F1182 | V1109-V1180 WeakPolarHBondContact O-CA 3.43Å; Y1110-V1180 HydrophobicContact CD1-CG2 3.65Å; Y1110-V1180 HydrophobicContact CD2-CG1 4.23Å; Y1110-V1180 HydrophobicContact CD2-CG2 4.24Å; Y1110-V1180 HydrophobicContact CE1-CG2 3.4Å; Y1110-V1180 VanDerWaalsContact CE1-CG2 3.4Å; Y1110-V1180 HydrophobicContact CE2-CG1 3.9Å; Y1110-V1180 HydrophobicContact CE2-CG2 3.99Å; Y1110-V1180 HydrophobicContact CG-CG2 4.05Å; S1168-V1180 WeakPolarHBondContact CB-O 3.3Å; V1169-V1180 HydrophobicContact CG2-CB 3.86Å; V1169-V1180 HydrophobicContact CG2-CG2 4.44Å; V1169-V1180 PolarHBondContact N-O 3.39Å; V1169-V1180 PolarHBondContact O-N 2.87Å; V1180-F1182 HydrophobicContact CG1-CE1 4.43Å; V1180-F1182 HydrophobicContact CG1-CZ 4.26Å |
| 1181 | I | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 151.3 | 174.6 | 58.6 | 165.8 | 0 | 0 | 0 | 111.1 | G1108 V1109 F1111 V1139 Q1186 A1187 | G1108-I1181 CarbonylContact C-O 3.56Å; G1108-I1181 VanDerWaalsContact CA-O 3.27Å; G1108-I1181 WeakPolarHBondContact CA-O 3.37Å; V1109-I1181 HydrophobicContact CB-CD1 4.47Å; V1109-I1181 HydrophobicContact CB-CG1 3.99Å; V1109-I1181 PolarHBondContact N-O 2.8Å; V1109-I1181 PolarHBondContact O-N 3.12Å; V1109-I1181 VanDerWaalsContact O-N 3.08Å; F1111-I1181 HydrophobicContact CD2-CG1 4.34Å; F1111-I1181 HydrophobicContact CE2-CD1 3.71Å; F1111-I1181 HydrophobicContact CE2-CG1 3.83Å; F1111-I1181 HydrophobicContact CZ-CD1 4.42Å; V1139-I1181 HydrophobicContact CG1-CG2 3.76Å; I1181-Q1186 HydrophobicContact CB-CB 4.18Å; I1181-Q1186 HydrophobicContact CD1-CB 3.85Å; I1181-Q1186 HydrophobicContact CG2-CB 4.06Å; I1181-A1187 HydrophobicContact CD1-CB 3.6Å |
| 1182 | F | 92.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -118.6 | -8.6 | -178.8 | -59.3 | -83.2 | 0 | 0 | 0 | 113.7 | R1095 M1151 K1152 A1154 V1169 V1180 | R1095-F1182 WeakPolarHBondContact CD-O 3.43Å; R1095-F1182 PolarHBondContact NH1-O 2.94Å; M1151-F1182 HydrophobicContact CB-CE1 4.36Å; M1151-F1182 HydrophobicContact CB-CZ 4Å; M1151-F1182 WeakPolarHBondContact O-CE1 3.24Å; K1152-F1182 VanDerWaalsContact C-CD1 3.49Å; K1152-F1182 WeakPolarHBondContact O-CD1 3.45Å; A1154-F1182 HydrophobicContact CB-CD2 3.84Å; A1154-F1182 HydrophobicContact CB-CE2 3.99Å; V1169-F1182 HydrophobicContact CB-CE2 4.46Å; V1169-F1182 HydrophobicContact CG1-CE2 4.11Å; V1169-F1182 HydrophobicContact CG2-CE2 3.66Å; V1169-F1182 HydrophobicContact CG2-CZ 3.82Å; V1180-F1182 HydrophobicContact CG1-CE1 4.43Å; V1180-F1182 HydrophobicContact CG1-CZ 4.26Å |
| 1183 | N | 90.8 | Very high | 93.2 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -112.8 | 124.6 | 168.6 | -178.9 | -29 | 0 | 0 | 0 | 109.2 | T1185 Q1186 | N1183-T1185 PolarHBondContact O-N 3.39Å; N1183-T1185 PolarHBondContact OD1-N 2.76Å; N1183-T1185 PolarHBondContact OD1-OG1 3.28Å; N1183-Q1186 HydrophobicContact CB-CG 4.09Å; N1183-Q1186 VanDerWaalsContact O-CB 3.26Å; N1183-Q1186 WeakPolarHBondContact O-CB 3.39Å; N1183-Q1186 WeakPolarHBondContact O-CG 3.21Å; N1183-Q1186 PolarHBondContact O-N 3.04Å |
| 1184 | D | 89 | Confident | 93.4 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -61.2 | -30.4 | -171.4 | -48 | -68.1 | 0 | 0 | 0 | 111.9 | F1093 N1094 R1095 Q1186 | F1093-D1184 WeakPolarHBondContact O-CA 3.36Å; F1093-D1184 VanDerWaalsContact O-CB 3.23Å; F1093-D1184 WeakPolarHBondContact O-CB 3.36Å; N1094-D1184 WeakPolarHBondContact CA-OD1 3.43Å; R1095-D1184 WeakPolarHBondContact CG-OD1 3.34Å; R1095-D1184 IonicContact CZ-OD2 3.4Å; R1095-D1184 PolarHBondContact N-OD1 3.09Å; R1095-D1184 IonicContact NH1-OD1 3.73Å; R1095-D1184 IonicContact NH1-OD2 3.56Å; R1095-D1184 PolarHBondContact NH1-OD2 2.95Å; R1095-D1184 IonicContact NH2-OD2 2.69Å; D1184-Q1186 PolarHBondContact O-N 2.97Å |
| 1185 | T | 91.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 25.1 Ų | 25.1 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -72.4 | -3.2 | 175 | 64.2 | 0 | 0 | 0 | 0 | 115 | Q1055 N1183 A1187 | Q1055-T1185 HydrophobicContact CB-CG2 4Å; N1183-T1185 PolarHBondContact O-N 3.39Å; N1183-T1185 PolarHBondContact OD1-N 2.76Å; N1183-T1185 PolarHBondContact OD1-OG1 3.28Å; T1185-A1187 VanDerWaalsContact C-N 3.31Å |
| 1186 | Q | 93.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -79.8 | -7.5 | 177.9 | -69.8 | 177.2 | -96.1 | 0 | 0 | 114 | Y1056 K1059 V1139 L1140 D1167 I1181 N1183 D1184 | Y1056-Q1186 WeakPolarHBondContact CE2-O 3.38Å; K1059-Q1186 HydrophobicContact CG-CG 4.16Å; V1139-Q1186 CarbonylContact C-O 3.52Å; V1139-Q1186 WeakPolarHBondContact CA-O 3.44Å; L1140-Q1186 HydrophobicContact CB-CB 4.18Å; L1140-Q1186 HydrophobicContact CB-CG 4.42Å; L1140-Q1186 PolarHBondContact N-O 3.29Å; L1140-Q1186 PolarHBondContact O-NE2 2.85Å; D1167-Q1186 PolarHBondContact O-NE2 3.5Å; D1167-Q1186 PolarHBondContact O-OE1 2.97Å; I1181-Q1186 HydrophobicContact CB-CB 4.18Å; I1181-Q1186 HydrophobicContact CD1-CB 3.85Å; I1181-Q1186 HydrophobicContact CG2-CB 4.06Å; N1183-Q1186 HydrophobicContact CB-CG 4.09Å; N1183-Q1186 VanDerWaalsContact O-CB 3.26Å; N1183-Q1186 WeakPolarHBondContact O-CB 3.39Å; N1183-Q1186 WeakPolarHBondContact O-CG 3.21Å; N1183-Q1186 PolarHBondContact O-N 3.04Å; D1184-Q1186 PolarHBondContact O-N 2.97Å |
| 1187 | A | 95.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1093 F1111 K1138 V1139 I1181 T1185 | F1093-A1187 HydrophobicContact CD2-CB 3.61Å; F1093-A1187 HydrophobicContact CE2-CB 4.12Å; F1093-A1187 HydrophobicContact CG-CB 4.41Å; F1111-A1187 HydrophobicContact CE1-CB 4.2Å; F1111-A1187 HydrophobicContact CE2-CB 3.95Å; F1111-A1187 HydrophobicContact CZ-CB 3.46Å; F1111-A1187 VanDerWaalsContact CZ-CB 3.46Å; K1138-A1187 WeakPolarHBondContact O-CA 3.47Å; V1139-A1187 HydrophobicContact CG2-CB 4.08Å; I1181-A1187 HydrophobicContact CD1-CB 3.6Å; T1185-A1187 VanDerWaalsContact C-N 3.31Å |
| 1188 | F | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119 | 171.7 | 177.2 | -106.9 | 0 | 0 | 0 | 109.7 | L1047 M1048 L1052 Y1053 Y1056 S1137 K1138 E1190 | L1047-F1188 WeakPolarHBondContact O-CZ 3.41Å; M1048-F1188 HydrophobicContact CE-CZ 4.48Å; M1048-F1188 HydrophobicContact SD-CZ 4.49Å; L1052-F1188 HydrophobicContact CB-CD2 4.07Å; L1052-F1188 HydrophobicContact CB-CE2 4.27Å; Y1053-F1188 HydrophobicContact CD2-CD1 4.05Å; Y1053-F1188 HydrophobicContact CD2-CD2 4.23Å; Y1053-F1188 AromaticContact CD2-CE1 3.91Å; Y1053-F1188 HydrophobicContact CD2-CE1 3.91Å; Y1053-F1188 HydrophobicContact CD2-CE2 4.11Å; Y1053-F1188 HydrophobicContact CD2-CG 4.21Å; Y1053-F1188 AromaticContact CD2-CZ 3.95Å; Y1053-F1188 HydrophobicContact CD2-CZ 3.95Å; Y1053-F1188 HydrophobicContact CG-CE2 4.37Å; Y1053-F1188 HydrophobicContact CG-CZ 4.4Å; Y1056-F1188 HydrophobicContact CD1-CB 4.1Å; Y1056-F1188 HydrophobicContact CD2-CB 3.68Å; Y1056-F1188 HydrophobicContact CE2-CB 4.15Å; Y1056-F1188 HydrophobicContact CG-CB 3.66Å; S1137-F1188 CarbonylContact C-O 3.55Å; S1137-F1188 VanDerWaalsContact CA-O 3.23Å; S1137-F1188 WeakPolarHBondContact CA-O 3.36Å; S1137-F1188 WeakPolarHBondContact CB-O 3.21Å; K1138-F1188 PolarHBondContact N-O 3.49Å; K1138-F1188 PolarHBondContact O-N 3.38Å; F1188-E1190 HydrophobicContact CD1-CB 3.95Å; F1188-E1190 HydrophobicContact CD1-CG 4.47Å; F1188-E1190 HydrophobicContact CE1-CB 3.94Å; F1188-E1190 HydrophobicContact CE1-CG 4.12Å; F1188-E1190 PolarHBondContact O-N 2.97Å |
| 1189 | P | 94.4 | Very high | 91.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 108.7 | 171.8 | 28.8 | -30 | 0 | 0 | 0 | 108.6 | L1047 I1088 F1093 F1135 | L1047-P1189 WeakPolarHBondContact CB-O 3.49Å; L1047-P1189 HydrophobicContact CD1-CB 4.06Å; I1088-P1189 HydrophobicContact CG2-CB 4.3Å; I1088-P1189 HydrophobicContact CG2-CG 4.27Å; F1093-P1189 HydrophobicContact CE2-CB 3.72Å; F1093-P1189 HydrophobicContact CE2-CG 4.04Å; F1093-P1189 HydrophobicContact CZ-CB 3.94Å; F1135-P1189 HydrophobicContact CD1-CB 3.66Å; F1135-P1189 HydrophobicContact CE1-CB 4.04Å; F1135-P1189 HydrophobicContact CG-CB 4.39Å |
| 1190 | E | 94.1 | Very high | 89.5 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.4 | -175.1 | -172 | 168.7 | -141.7 | 0 | 0 | 112.1 | L1047 A1136 K1138 F1188 | L1047-E1190 PolarHBondContact N-O 3.04Å; A1136-E1190 PolarHBondContact O-N 2.88Å; A1136-E1190 VanDerWaalsContact O-N 3.15Å; K1138-E1190 VanDerWaalsContact CD-OE2 3.24Å; K1138-E1190 WeakPolarHBondContact CD-OE2 3.45Å; K1138-E1190 WeakPolarHBondContact CE-OE2 3.43Å; K1138-E1190 IonicContact NZ-OE1 2.67Å; K1138-E1190 PolarHBondContact NZ-OE1 2.57Å; K1138-E1190 IonicContact NZ-OE2 3.04Å; K1138-E1190 PolarHBondContact NZ-OE2 3.02Å; F1188-E1190 HydrophobicContact CD1-CB 3.95Å; F1188-E1190 HydrophobicContact CD1-CG 4.47Å; F1188-E1190 HydrophobicContact CE1-CB 3.94Å; F1188-E1190 HydrophobicContact CE1-CG 4.12Å; F1188-E1190 PolarHBondContact O-N 2.97Å |
| 1191 | Y | 95.6 | Very high | 89.2 | Confident | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.114 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | 176.6 | -52.7 | -75.5 | 0 | 0 | 0 | 111.3 | I1014 E1020 V1024 V1044 E1045 K1046 F1135 A1136 | I1014-Y1191 HydrophobicContact CD1-CD1 3.74Å; I1014-Y1191 HydrophobicContact CD1-CE1 3.74Å; E1020-Y1191 VanDerWaalsContact OE1-CE1 3.3Å; E1020-Y1191 WeakPolarHBondContact OE1-CE1 3.39Å; E1020-Y1191 PolarHBondContact OE1-OH 2.95Å; V1024-Y1191 HydrophobicContact CG1-CD2 4.44Å; V1024-Y1191 HydrophobicContact CG1-CG 4.36Å; V1024-Y1191 HydrophobicContact CG2-CD1 4.22Å; V1024-Y1191 HydrophobicContact CG2-CD2 3.92Å; V1024-Y1191 HydrophobicContact CG2-CE1 4.05Å; V1024-Y1191 HydrophobicContact CG2-CE2 3.73Å; V1024-Y1191 HydrophobicContact CG2-CG 4.16Å; V1044-Y1191 HydrophobicContact CG1-CD1 4.25Å; E1045-Y1191 CarbonylContact O-C 3.6Å; E1045-Y1191 VanDerWaalsContact O-CA 3.3Å; E1045-Y1191 WeakPolarHBondContact O-CA 3.46Å; K1046-Y1191 HydrophobicContact CB-CD1 4.27Å; K1046-Y1191 HydrophobicContact CB-CE1 4.23Å; K1046-Y1191 HydrophobicContact CD-CE1 4.39Å; K1046-Y1191 HydrophobicContact CG-CD1 4.27Å; K1046-Y1191 HydrophobicContact CG-CE1 3.87Å; F1135-Y1191 CarbonylContact C-O 3.58Å; F1135-Y1191 VanDerWaalsContact CA-O 3.24Å; F1135-Y1191 WeakPolarHBondContact CA-O 3.28Å; A1136-Y1191 HydrophobicContact CB-CD2 4.3Å; A1136-Y1191 PolarHBondContact N-O 3.35Å; A1136-Y1191 PolarHBondContact O-N 2.82Å |
| 1192 | L | 96.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.8 | 160.3 | 179 | 65 | 0 | 0 | 0 | 108.8 | V1044 E1045 L1047 V1085 F1133 F1135 | V1044-L1192 CarbonylContact C-O 3.51Å; V1044-L1192 WeakPolarHBondContact CA-O 3.16Å; E1045-L1192 HydrophobicContact CB-CB 4.37Å; E1045-L1192 PolarHBondContact N-O 3.35Å; E1045-L1192 PolarHBondContact O-N 3.38Å; L1047-L1192 HydrophobicContact CD1-CB 4.19Å; V1085-L1192 HydrophobicContact CG1-CD1 4.17Å; V1085-L1192 HydrophobicContact CG1-CD2 3.57Å; F1133-L1192 HydrophobicContact CB-CD1 4.19Å; F1133-L1192 HydrophobicContact CD1-CD1 4.37Å; F1133-L1192 HydrophobicContact CD1-CD2 4.43Å; F1135-L1192 HydrophobicContact CD1-CB 4.45Å; F1135-L1192 HydrophobicContact CD1-CD1 4.22Å; F1135-L1192 HydrophobicContact CD2-CD1 4.47Å; F1135-L1192 HydrophobicContact CE1-CB 4.41Å; F1135-L1192 HydrophobicContact CE1-CD1 4.11Å; F1135-L1192 HydrophobicContact CE2-CD1 4.35Å; F1135-L1192 HydrophobicContact CG-CD1 4.41Å; F1135-L1192 HydrophobicContact CZ-CD1 4.18Å |
| 1193 | I | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.8 | 173.8 | -55.7 | 174.6 | 0 | 0 | 0 | 107.3 | V1024 F1028 I1041 V1044 Y1077 I1134 A1136 | V1024-I1193 HydrophobicContact CG1-CD1 3.87Å; V1024-I1193 HydrophobicContact CG1-CG1 4.25Å; F1028-I1193 HydrophobicContact CB-CD1 4.14Å; F1028-I1193 HydrophobicContact CD2-CD1 3.51Å; F1028-I1193 HydrophobicContact CD2-CG2 4.4Å; F1028-I1193 HydrophobicContact CE2-CD1 4.09Å; F1028-I1193 HydrophobicContact CE2-CG2 4.16Å; F1028-I1193 HydrophobicContact CG-CD1 4.02Å; F1028-I1193 HydrophobicContact CZ-CG2 4.21Å; I1041-I1193 HydrophobicContact CD1-CG2 4.14Å; I1041-I1193 HydrophobicContact CG1-CG2 4.04Å; I1041-I1193 HydrophobicContact CG2-CG2 4.23Å; V1044-I1193 HydrophobicContact CG1-CG1 4.33Å; V1044-I1193 HydrophobicContact CG2-CG1 4.29Å; V1044-I1193 HydrophobicContact CG2-CG2 4.45Å; Y1077-I1193 HydrophobicContact CE1-CD1 4.47Å; I1134-I1193 PolarHBondContact N-O 2.85Å; I1134-I1193 WeakPolarHBondContact O-CB 3.49Å; I1134-I1193 PolarHBondContact O-N 3.44Å; A1136-I1193 HydrophobicContact CB-CD1 4.29Å |
| 1194 | T | 94.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.3 | 175.1 | -62 | 0 | 0 | 0 | 0 | 108.5 | I1042 Q1043 Y1131 F1133 | I1042-T1194 PolarHBondContact N-O 2.77Å; Q1043-T1194 PolarHBondContact N-O 3.23Å; Q1043-T1194 PolarHBondContact O-N 3.28Å; Y1131-T1194 HydrophobicContact CG-CG2 4.39Å; F1133-T1194 HydrophobicContact CD1-CG2 4.28Å; F1133-T1194 HydrophobicContact CE1-CG2 3.87Å; F1133-T1194 HydrophobicContact CZ-CG2 4.44Å |
| 1195 | C | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.9 | -176.9 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | I1039 R1040 I1041 Y1131 K1132 I1134 | I1039-C1195 HydrophobicContact CG2-CB 3.97Å; R1040-C1195 CarbonylContact O-C 3.53Å; R1040-C1195 WeakPolarHBondContact O-CA 3.34Å; R1040-C1195 VanDerWaalsContact O-CB 3.31Å; R1040-C1195 WeakPolarHBondContact O-CB 3.47Å; I1041-C1195 HydrophobicContact CG1-CB 4.32Å; Y1131-C1195 CarbonylContact C-O 3.44Å; Y1131-C1195 WeakPolarHBondContact CA-O 3.35Å; K1132-C1195 PolarHBondContact N-O 3.08Å; K1132-C1195 PolarHBondContact O-N 2.97Å; I1134-C1195 VanDerWaalsContact CD1-SG 3.57Å |
| 1196 | Q | 91.3 | Very high | 88.3 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.8 | 179.3 | -160.5 | -177.7 | 43.6 | 0 | 0 | 109.8 | R1040 I1042 D1129 Y1131 | R1040-Q1196 PolarHBondContact N-O 2.87Å; R1040-Q1196 PolarHBondContact O-N 2.91Å; I1042-Q1196 HydrophobicContact CD1-CB 4.09Å; I1042-Q1196 HydrophobicContact CG1-CB 4.09Å; D1129-Q1196 PolarHBondContact O-NE2 3.2Å; Y1131-Q1196 HydrophobicContact CD1-CB 4.17Å; Y1131-Q1196 HydrophobicContact CD1-CG 4.27Å; Y1131-Q1196 HydrophobicContact CE1-CB 4.48Å |
| 1197 | R | 84.9 | Confident | 88 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.1 | 175.7 | -172.2 | 171.4 | -179.6 | 158.7 | 2.2 | 110.2 | K1038 I1039 D1121 K1132 Y1199 | K1038-R1197 CarbonylContact O-C 3.5Å; K1038-R1197 WeakPolarHBondContact O-CA 3.23Å; I1039-R1197 HydrophobicContact CD1-CB 4.25Å; I1039-R1197 HydrophobicContact CD1-CG 4.28Å; D1121-R1197 IonicContact OD2-CZ 2.69Å; D1121-R1197 IonicContact OD2-NH1 3.11Å; D1121-R1197 PolarHBondContact OD2-NH1 3.06Å; K1132-R1197 HydrophobicContact CD-CB 4.37Å; R1197-Y1199 HydrophobicContact CB-CE2 4.44Å; R1197-Y1199 HydrophobicContact CG-CE2 4.24Å |
| 1198 | I | 81.4 | Confident | 87.4 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 32% | 0.323 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 122.6 | 173.7 | -61.6 | -179.8 | 0 | 0 | 0 | 108.8 | K1038 R1040 R1200 | K1038-I1198 PolarHBondContact O-N 3.39Å; R1040-I1198 HydrophobicContact CB-CD1 3.7Å; R1040-I1198 HydrophobicContact CB-CG1 4.14Å; I1198-R1200 HydrophobicContact CG2-CG 4.04Å |
| 1199 | Y | 69.8 | Low | 86.8 | Confident | 184 Ų | 184 | 61.8 Ų | 61.8 | 72% | 0.722 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 126.8 | 162.2 | -57.2 | -91.2 | 0 | 0 | 0 | 107.7 | R1197 | R1197-Y1199 HydrophobicContact CB-CE2 4.44Å; R1197-Y1199 HydrophobicContact CG-CE2 4.24Å |
| 1200 | R | 50.8 | Low | 86.1 | Confident | 290 Ų | 290 | 67.1 Ų | 67.1 | 100% | 1.094 | 27% | 0.273 | S | S | * | . | trans | -117.6 | 0 | 172.1 | -82 | -171.4 | 175.3 | -169 | 0.3 | 108.5 | I1198 | I1198-R1200 HydrophobicContact CG2-CG 4.04Š|
Retrieved 1,200 of 1,200 residues in 994.3 ms
(Link to these results)