| 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 | 84.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | 0 | 148.8 | 0 | -49.5 | -24.7 | -77.4 | 0 | 0 | 108.8 | Y3 Y297 S312 L318 R407 S408 Y797 L799 | M1-Y3 HydrophobicContact CB-CE2 4.06Å; M1-Y297 WeakPolarHBondContact CE-O 3.34Å; M1-Y297 HydrophobicContact SD-CD1 3.62Å; M1-Y297 HydrophobicContact SD-CE1 4.44Å; M1-Y297 HydrophobicContact SD-CG 4.28Å; M1-S312 VanDerWaalsContact CE-CB 3.44Å; M1-L318 HydrophobicContact CE-CD1 3.83Å; M1-L318 HydrophobicContact CE-CD2 4.38Å; M1-R407 CarbonylContact O-C 3.59Å; M1-R407 WeakPolarHBondContact O-CA 3.23Å; M1-S408 PolarHBondContact O-N 3.09Å; M1-Y797 HydrophobicContact CB-CE1 4.49Å; M1-Y797 HydrophobicContact CE-CD2 4.48Å; M1-Y797 HydrophobicContact CE-CE2 3.63Å; M1-Y797 HydrophobicContact CG-CD1 3.77Å; M1-Y797 HydrophobicContact CG-CD2 4.35Å; M1-Y797 HydrophobicContact CG-CE1 3.24Å; M1-Y797 HydrophobicContact CG-CE2 3.85Å; M1-Y797 HydrophobicContact CG-CG 4.33Å; M1-Y797 HydrophobicContact SD-CE1 4.08Å; M1-Y797 HydrophobicContact SD-CE2 4.06Å; M1-Y797 VanDerWaalsContact SD-CZ 3.55Å; M1-Y797 PolarHBondContact SD-OH 2.84Å; M1-L799 HydrophobicContact CG-CD2 4.44Å | |||
| 2 | H | 90.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.2 | -177.1 | -58.8 | 85.8 | 0 | 0 | 0 | 110.2 | D295 T298 W339 G343 L405 A406 R407 | H2-D295 IonicContact CE1-OD1 2.79Å; H2-D295 PolarHBondContact CE1-OD1 3.39Å; H2-D295 IonicContact CE1-OD2 2.61Å; H2-T298 WeakPolarHBondContact ND1-CB 3.4Å; H2-T298 PolarHBondContact ND1-OG1 2.88Å; H2-W339 HydrophobicContact CB-CH2 4.31Å; H2-W339 HydrophobicContact CB-CZ3 4.43Å; H2-W339 AromaticContact CG-CZ3 3.96Å; H2-G343 PolarHBondContact CD2-O 3.32Å; H2-G343 VanDerWaalsContact CD2-O 3.24Å; H2-L405 HydrophobicContact CB-CD2 4.11Å; H2-A406 WeakPolarHBondContact CA-O 3.46Å; H2-R407 WeakPolarHBondContact NE2-CD 3.46Å |
| 3 | Y | 90.8 | Very high | 79.7 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130 | 178.4 | -56 | -89 | 0 | 0 | 0 | 108.7 | M1 L405 A406 L424 L799 I811 N813 L843 | M1-Y3 HydrophobicContact CB-CE2 4.06Å; Y3-L405 CarbonylContact O-C 3.24Å; Y3-L405 VanDerWaalsContact O-CA 3.26Å; Y3-L405 WeakPolarHBondContact O-CA 3.44Å; Y3-A406 PolarHBondContact N-O 3.06Å; Y3-A406 PolarHBondContact O-N 3.34Å; Y3-L424 HydrophobicContact CD2-CD1 3.73Å; Y3-L424 HydrophobicContact CD2-CD2 4.03Å; Y3-L424 HydrophobicContact CE2-CD1 4.33Å; Y3-L424 HydrophobicContact CE2-CD2 3.92Å; Y3-L424 HydrophobicContact CG-CD1 4.42Å; Y3-L799 HydrophobicContact CE2-CD1 4.15Å; Y3-I811 HydrophobicContact CD1-CG2 3.89Å; Y3-I811 HydrophobicContact CE1-CB 4.02Å; Y3-I811 HydrophobicContact CE1-CG2 3.88Å; Y3-I811 WeakPolarHBondContact CE1-O 3.33Å; Y3-I811 HydrophobicContact CE2-CB 4.45Å; Y3-I811 HydrophobicContact CG-CG2 4.27Å; Y3-N813 HydrophobicContact CD1-CB 4.41Å; Y3-L843 HydrophobicContact CG-CD2 4.18Å |
| 4 | L | 89 | Confident | 77.4 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.5 | 173.9 | -65.9 | 165.5 | 0 | 0 | 0 | 110.3 | W308 Y319 F403 H404 L405 N813 F815 | L4-W308 HydrophobicContact CD1-CH2 4.2Å; L4-W308 HydrophobicContact CD1-CZ2 4.41Å; L4-W308 HydrophobicContact CD2-CH2 4.17Å; L4-Y319 HydrophobicContact CD1-CD1 3.71Å; L4-Y319 HydrophobicContact CD1-CD2 4.12Å; L4-Y319 HydrophobicContact CD1-CE1 3.72Å; L4-Y319 HydrophobicContact CD1-CE2 4.12Å; L4-Y319 HydrophobicContact CD1-CG 3.9Å; L4-F403 HydrophobicContact CD2-CB 3.6Å; L4-F403 HydrophobicContact CD2-CD1 3.97Å; L4-F403 HydrophobicContact CD2-CG 4.07Å; L4-H404 WeakPolarHBondContact CA-O 3.5Å; L4-L405 HydrophobicContact CD2-CD2 3.57Å; L4-L405 HydrophobicContact CD2-CG 4.15Å; L4-L405 HydrophobicContact CG-CD2 3.95Å; L4-N813 WeakPolarHBondContact CB-ND2 3.2Å; L4-N813 PolarHBondContact N-ND2 3.01Å; L4-N813 PolarHBondContact O-ND2 3.39Å; L4-N813 PolarHBondContact O-OD1 2.97Å; L4-N813 VanDerWaalsContact O-OD1 3.13Å; L4-F815 HydrophobicContact CB-CE1 4.1Å; L4-F815 HydrophobicContact CB-CZ 4.44Å; L4-F815 HydrophobicContact CD1-CE1 3.75Å; L4-F815 HydrophobicContact CD1-CZ 3.99Å |
| 5 | V | 88.3 | Confident | 75.2 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | trans | -133 | 122 | -178.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | H404 A406 L843 | V5-H404 PolarHBondContact N-O 3.21Å; V5-A406 HydrophobicContact CG2-CB 3.57Å; V5-L843 HydrophobicContact CG2-CD1 3.71Å; V5-L843 HydrophobicContact CG2-CD2 3.91Å; V5-L843 HydrophobicContact CG2-CG 3.89Å | ||
| 6 | G | 84.6 | Confident | 73.8 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | 84.7 | -157.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y840 G841 | G6-Y840 VanDerWaalsContact CA-CE2 3.4Å; G6-G841 PolarHBondContact N-O 3.33Å; G6-G841 PolarHBondContact O-N 3.45Å |
| 7 | W | 81.6 | Confident | 72.6 | Confident | 92 Ų | 92 | 43.8 Ų | 43.8 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -83.4 | 143.4 | 168.5 | -67.5 | 104.7 | 0 | 0 | 0 | 109.5 | F835 F838 Y840 | W7-F835 HydrophobicContact CD2-CD1 4.34Å; W7-F835 AromaticContact CE3-CD1 3.95Å; W7-F835 HydrophobicContact CE3-CD1 3.95Å; W7-F835 HydrophobicContact CZ3-CB 4.33Å; W7-F835 HydrophobicContact CZ3-CD1 4.44Å; W7-F838 WeakPolarHBondContact CZ3-O 3.49Å; W7-Y840 HydrophobicContact CB-CD2 4.36Å; W7-Y840 AromaticContact CD1-CD2 3.4Å; W7-Y840 VanDerWaalsContact CD1-CD2 3.4Å; W7-Y840 AromaticContact CD1-CE2 3.56Å; W7-Y840 AromaticContact CD2-CD2 3.66Å; W7-Y840 HydrophobicContact CD2-CD2 3.66Å; W7-Y840 HydrophobicContact CD2-CG 4.37Å; W7-Y840 AromaticContact CE2-CD2 3.51Å; W7-Y840 HydrophobicContact CE3-CD2 4.48Å; W7-Y840 AromaticContact CG-CD2 3.57Å; W7-Y840 HydrophobicContact CG-CD2 3.57Å; W7-Y840 HydrophobicContact CG-CE2 4.11Å; W7-Y840 HydrophobicContact CZ2-CD2 4.21Å; W7-Y840 HydrophobicContact CZ2-CG 4.34Å; W7-Y840 AromaticContact NE1-CD2 3.34Å; W7-Y840 VanDerWaalsContact NE1-CD2 3.34Å; W7-Y840 AromaticContact NE1-CE2 3.66Å |
| 8 | P | 82.9 | Confident | 71.7 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 148.4 | 163.9 | 31 | -32.4 | 0 | 0 | 0 | 110.6 | V401 V402 F403 F838 | P8-V401 HydrophobicContact CB-CG1 3.72Å; P8-V401 HydrophobicContact CG-CG1 4.19Å; P8-V402 CarbonylContact C-O 3.5Å; P8-V402 VanDerWaalsContact CA-O 3.22Å; P8-V402 WeakPolarHBondContact CA-O 3.41Å; P8-V402 WeakPolarHBondContact CB-O 3.43Å; P8-F403 HydrophobicContact CB-CD1 3.66Å; P8-F403 HydrophobicContact CB-CE1 3.89Å; P8-F403 HydrophobicContact CB-CG 4.25Å; P8-F403 HydrophobicContact CG-CD1 4.13Å; P8-F403 HydrophobicContact CG-CE1 3.95Å; P8-F838 HydrophobicContact CG-CB 3.64Å; P8-F838 HydrophobicContact CG-CD1 4.48Å; P8-F838 HydrophobicContact CG-CG 3.99Å |
| 9 | S | 83 | Confident | 71.3 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.7 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | V402 H404 | S9-V402 PolarHBondContact N-O 3.42Å; S9-V402 PolarHBondContact O-N 3.02Å; S9-H404 PolarHBondContact OG-NE2 3.26Å |
| 10 | V | 77.5 | Confident | 71 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 124.9 | 169.6 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | E12 Y399 V401 L834 F838 | V10-E12 PolarHBondContact O-N 3.05Å; V10-Y399 HydrophobicContact CG1-CD1 4.38Å; V10-V401 HydrophobicContact CG2-CG2 4.41Å; V10-L834 HydrophobicContact CG1-CD1 4.38Å; V10-F838 HydrophobicContact CG2-CE2 4.47Å |
| 11 | L | 72.3 | Confident | 70.8 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 99.3 | 174.9 | -70.4 | 174.1 | 0 | 0 | 0 | 108.9 | A13 F43 L48 L400 V402 | L11-A13 PolarHBondContact O-N 2.88Å; L11-F43 HydrophobicContact CB-CE1 4.23Å; L11-F43 HydrophobicContact CD1-CD1 4.06Å; L11-F43 HydrophobicContact CD1-CE1 4.32Å; L11-F43 HydrophobicContact CD1-CG 4.4Å; L11-F43 HydrophobicContact CD2-CD1 4.44Å; L11-L48 HydrophobicContact CD2-CB 3.91Å; L11-L48 HydrophobicContact CD2-CD2 4.39Å; L11-L48 WeakPolarHBondContact CD2-O 3.36Å; L11-L400 HydrophobicContact CB-CB 4.23Å; L11-L400 HydrophobicContact CB-CD2 3.95Å; L11-L400 HydrophobicContact CB-CG 4.23Å; L11-L400 HydrophobicContact CD1-CD2 3.57Å; L11-L400 HydrophobicContact CD1-CG 4.05Å; L11-L400 HydrophobicContact CG-CD2 4.39Å; L11-L400 PolarHBondContact N-O 3.27Å; L11-V402 HydrophobicContact CD1-CG2 3.52Å; L11-V402 HydrophobicContact CG-CG2 3.89Å |
| 12 | E | 60.2 | Low | 70 | Confident | 144 Ų | 144 | 47.7 Ų | 47.7 | 67% | 0.673 | 27% | 0.272 | S | S | * | . | trans | -68.3 | 115.4 | 168.8 | -68.3 | -165.1 | 160.5 | 0 | 0 | 109.5 | V10 | V10-E12 PolarHBondContact O-N 3.05Š| ||
| 13 | A | 51.2 | Low | 69.3 | Low | 33 Ų | 33 | 48.4 Ų | 48.4 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | trans | -78.7 | 127.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L11 C15 L17 | L11-A13 PolarHBondContact O-N 2.88Å; A13-C15 WeakPolarHBondContact CB-O 3.32Å; A13-C15 PolarHBondContact O-N 3.39Å; A13-L17 HydrophobicContact CB-CD1 3.65Å; A13-L17 HydrophobicContact CB-CD2 4.47Å; A13-L17 HydrophobicContact CB-CG 3.78Å | ||
| 14 | H | 47.6 | Very low | 68.5 | Low | 144 Ų | 144 | 49.5 Ų | 49.5 | 67% | 0.667 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -60.5 | -12.2 | 175.9 | -54.2 | -79 | 0 | 0 | 0 | 113.8 | ||
| 15 | C | 44.1 | Very low | 67.9 | Low | 51 Ų | 51 | 50.5 Ų | 50.5 | 35% | 0.345 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -111.7 | 141.6 | 171.4 | -64 | 0 | 0 | 0 | 0 | 109.7 | A13 L17 H53 | A13-C15 WeakPolarHBondContact CB-O 3.32Å; A13-C15 PolarHBondContact O-N 3.39Å; C15-L17 VanDerWaalsContact C-N 3.32Å; C15-L17 PolarHBondContact O-N 3.34Å; C15-H53 VanDerWaalsContact SG-CD2 3.59Å; C15-H53 PolarHBondContact SG-NE2 3.37Å |
| 16 | S | 52.1 | Low | 67.2 | Low | 107 Ų | 107 | 49.7 Ų | 49.7 | 75% | 0.748 | 29% | 0.288 | S | S | * | . | trans | -70 | 88 | 173.1 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | G18 | S16-G18 PolarHBondContact O-N 3.07Š| ||
| 17 | L | 53.6 | Low | 66.4 | Low | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | trans | -55 | 133 | 178.1 | -63.9 | 174.2 | 0 | 0 | 0 | 110.5 | A13 C15 V20 V34 T36 V41 | A13-L17 HydrophobicContact CB-CD1 3.65Å; A13-L17 HydrophobicContact CB-CD2 4.47Å; A13-L17 HydrophobicContact CB-CG 3.78Å; C15-L17 VanDerWaalsContact C-N 3.32Å; C15-L17 PolarHBondContact O-N 3.34Å; L17-V20 HydrophobicContact CB-CG2 4.49Å; L17-V20 HydrophobicContact CD1-CG2 4.29Å; L17-V34 HydrophobicContact CD1-CG1 4.4Å; L17-T36 HydrophobicContact CB-CG2 4.08Å; L17-T36 HydrophobicContact CD2-CG2 3.8Å; L17-T36 HydrophobicContact CG-CG2 4.49Å; L17-V41 HydrophobicContact CD2-CG2 3.98Å | ||
| 18 | G | 56.6 | Low | 65.7 | Low | 40 Ų | 40 | 50.8 Ų | 50.8 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | trans | -72.1 | -160.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S16 V20 | S16-G18 PolarHBondContact O-N 3.07Å; G18-V20 PolarHBondContact O-N 3.37Å; G18-V20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | E | 63.6 | Low | 65 | Low | 156 Ų | 156 | 50.5 Ų | 50.5 | 73% | 0.729 | 29% | 0.292 | S | S | * | . | trans | -61.2 | 121.4 | 170.5 | -68.2 | -175 | 129.2 | 0 | 0 | 110.3 | T36 | E19-T36 WeakPolarHBondContact O-CA 3.21Å; E19-T36 WeakPolarHBondContact O-CB 3.44Å | ||
| 20 | V | 65.3 | Low | 64.5 | Low | 9 Ų | 9 | 50.7 Ų | 50.7 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.2 | 176.1 | 168.6 | 0 | 0 | 0 | 0 | 107.8 | L17 G18 V23 V34 C35 T36 L349 | L17-V20 HydrophobicContact CB-CG2 4.49Å; L17-V20 HydrophobicContact CD1-CG2 4.29Å; G18-V20 PolarHBondContact O-N 3.37Å; G18-V20 VanDerWaalsContact O-N 3.16Å; V20-V23 HydrophobicContact CG1-CG2 3.86Å; V20-V34 HydrophobicContact CB-CG1 4.41Å; V20-V34 HydrophobicContact CG1-CG1 3.69Å; V20-V34 HydrophobicContact CG2-CG1 3.76Å; V20-C35 CarbonylContact C-O 3.47Å; V20-C35 WeakPolarHBondContact CA-O 3.43Å; V20-C35 WeakPolarHBondContact CG1-O 3.46Å; V20-T36 HydrophobicContact CG2-CG2 3.82Å; V20-L349 HydrophobicContact CB-CD1 3.91Å; V20-L349 HydrophobicContact CB-CD2 3.73Å; V20-L349 HydrophobicContact CB-CG 4.42Å; V20-L349 HydrophobicContact CG1-CD1 4.22Å; V20-L349 HydrophobicContact CG1-CD2 4.39Å; V20-L349 HydrophobicContact CG2-CD1 3.79Å; V20-L349 HydrophobicContact CG2-CD2 4.34Å |
| 21 | S | 66.6 | Low | 64.3 | Low | 41 Ų | 41 | 49.3 Ų | 49.3 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -25.3 | -178.4 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | C35 T67 N336 | S21-C35 PolarHBondContact N-O 2.83Å; S21-C35 PolarHBondContact OG-O 2.92Å; S21-T67 WeakPolarHBondContact CB-O 3.29Å; S21-T67 PolarHBondContact OG-O 2.87Å; S21-N336 PolarHBondContact O-ND2 3.19Å |
| 22 | A | 69.1 | Low | 64.5 | Low | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | C35 A70 | A22-C35 HydrophobicContact CB-CB 4.37Å; A22-C35 PolarHBondContact N-O 3.26Å; A22-C35 PolarHBondContact O-N 3.17Å; A22-A70 HydrophobicContact CB-CB 3.99Å |
| 23 | V | 75 | Confident | 65.2 | Low | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.4 | 167.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | V20 I33 V34 N336 L347 | V20-V23 HydrophobicContact CG1-CG2 3.86Å; V23-I33 WeakPolarHBondContact CA-O 3.42Å; V23-V34 HydrophobicContact CG1-CG2 4.42Å; V23-V34 HydrophobicContact CG2-CG2 4.44Å; V23-N336 HydrophobicContact CG2-CB 4.33Å; V23-L347 HydrophobicContact CG1-CB 4.35Å |
| 24 | C | 75.1 | Confident | 66.3 | Low | 30 Ų | 30 | 40.4 Ų | 40.4 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.2 | 179.6 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | S32 I33 A70 L72 | C24-S32 CarbonylContact O-C 3.56Å; C24-S32 VanDerWaalsContact O-CA 3.27Å; C24-S32 WeakPolarHBondContact O-CA 3.18Å; C24-S32 WeakPolarHBondContact O-CB 3.4Å; C24-I33 PolarHBondContact N-O 2.96Å; C24-I33 PolarHBondContact O-N 3.05Å; C24-A70 PolarHBondContact SG-O 3.23Å; C24-L72 HydrophobicContact CB-CB 4.5Å |
| 25 | S | 74.9 | Confident | 67.4 | Low | 31 Ų | 31 | 33.6 Ų | 33.6 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 152.4 | 169.2 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | W339 | S25-W339 PolarHBondContact OG-O 3.46Å; S25-W339 VanDerWaalsContact OG-O 3.06Å |
| 26 | S | 75.2 | Confident | 68.8 | Low | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | trans | -68.4 | 150.8 | 166.1 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | D28 G29 T31 S76 H341 | S26-D28 PolarHBondContact O-N 2.94Å; S26-G29 PolarHBondContact O-N 2.87Å; S26-G29 PolarHBondContact OG-N 3.05Å; S26-T31 VanDerWaalsContact CB-OG1 3.31Å; S26-T31 WeakPolarHBondContact CB-OG1 3.48Å; S26-T31 PolarHBondContact N-O 2.93Å; S26-T31 PolarHBondContact OG-N 2.83Å; S26-T31 PolarHBondContact OG-O 3.18Å; S26-T31 VanDerWaalsContact OG-O 3.08Å; S26-T31 PolarHBondContact OG-OG1 3.29Å; S26-T31 VanDerWaalsContact OG-OG1 3.13Å; S26-S76 WeakPolarHBondContact CB-OG 3.34Å; S26-H341 WeakPolarHBondContact O-CB 3.35Å | ||
| 27 | E | 68.2 | Low | 69.7 | Low | 98 Ų | 98 | 27.1 Ų | 27.1 | 46% | 0.458 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.9 | 169.5 | -70.4 | -176.6 | -147.5 | 0 | 0 | 111.8 | G29 W74 H341 | E27-G29 PolarHBondContact O-N 3.21Å; E27-G29 VanDerWaalsContact O-N 3.1Å; E27-W74 HydrophobicContact CB-CB 4.18Å; E27-W74 HydrophobicContact CG-CB 4Å; E27-W74 PolarHBondContact N-O 3.28Å; E27-W74 VanDerWaalsContact OE1-CB 3.32Å; E27-W74 WeakPolarHBondContact OE1-CB 3.43Å; E27-H341 WeakPolarHBondContact O-CB 3.45Å; E27-H341 PolarHBondContact O-CD2 2.76Å; E27-H341 PolarHBondContact O-ND1 3.25Å; E27-H341 PolarHBondContact O-NE2 2.73Å |
| 28 | D | 66.7 | Low | 70.8 | Confident | 33 Ų | 33 | 26.7 Ų | 26.7 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.1 | 169 | -51.4 | -63.6 | 0 | 0 | 0 | 113.4 | S26 E30 S76 H342 Y1479 | S26-D28 PolarHBondContact O-N 2.94Å; D28-E30 PolarHBondContact O-N 3.19Å; D28-S76 PolarHBondContact OD2-OG 2.98Å; D28-H342 PolarHBondContact O-NE2 3.33Å; D28-Y1479 PolarHBondContact OD1-OH 3.13Å |
| 29 | G | 67.4 | Low | 72 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 65.2 | -7.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S26 E27 | S26-G29 PolarHBondContact O-N 2.87Å; S26-G29 PolarHBondContact OG-N 3.05Å; E27-G29 PolarHBondContact O-N 3.21Å; E27-G29 VanDerWaalsContact O-N 3.1Å |
| 30 | E | 72.3 | Confident | 72.8 | Confident | 39 Ų | 39 | 19 Ų | 19 | 18% | 0.182 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -83.6 | -26.9 | -176.9 | -76.8 | 169.9 | 172.8 | 0 | 0 | 113.4 | D28 H44 L45 W458 R477 | D28-E30 PolarHBondContact O-N 3.19Å; E30-H44 CarbonylContact O-C 3.57Å; E30-H44 WeakPolarHBondContact O-CA 3.46Å; E30-H44 PolarHBondContact O-CE1 3.15Å; E30-H44 PolarHBondContact O-ND1 3.24Å; E30-H44 VanDerWaalsContact O-ND1 3.13Å; E30-L45 PolarHBondContact O-N 3.32Å; E30-W458 HydrophobicContact CB-CZ3 4.48Å; E30-W458 HydrophobicContact CG-CE3 3.88Å; E30-W458 HydrophobicContact CG-CZ3 3.58Å; E30-R477 IonicContact OE1-CZ 3.26Å; E30-R477 IonicContact OE1-NH1 2.89Å; E30-R477 PolarHBondContact OE1-NH1 3.31Å; E30-R477 IonicContact OE2-NH1 3.21Å; E30-R477 PolarHBondContact OE2-NH1 3.43Å; E30-R477 VanDerWaalsContact OE2-NH1 3.12Å |
| 31 | T | 74.3 | Confident | 73.5 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157 | -178.4 | 71.5 | 0 | 0 | 0 | 0 | 114 | S26 F43 I51 L96 | S26-T31 VanDerWaalsContact CB-OG1 3.31Å; S26-T31 WeakPolarHBondContact CB-OG1 3.48Å; S26-T31 PolarHBondContact N-O 2.93Å; S26-T31 PolarHBondContact OG-N 2.83Å; S26-T31 PolarHBondContact OG-O 3.18Å; S26-T31 VanDerWaalsContact OG-O 3.08Å; S26-T31 PolarHBondContact OG-OG1 3.29Å; S26-T31 VanDerWaalsContact OG-OG1 3.13Å; T31-F43 CarbonylContact C-O 3.6Å; T31-F43 VanDerWaalsContact CA-O 3.25Å; T31-F43 WeakPolarHBondContact CA-O 3.44Å; T31-F43 WeakPolarHBondContact CB-O 3.48Å; T31-I51 HydrophobicContact CG2-CD1 4.19Å; T31-L96 HydrophobicContact CG2-CD2 4.21Å |
| 32 | S | 76.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.4 | 165.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | C24 I42 F43 L347 | C24-S32 CarbonylContact O-C 3.56Å; C24-S32 VanDerWaalsContact O-CA 3.27Å; C24-S32 WeakPolarHBondContact O-CA 3.18Å; C24-S32 WeakPolarHBondContact O-CB 3.4Å; S32-I42 CarbonylContact O-C 3.55Å; S32-I42 WeakPolarHBondContact O-CA 3.2Å; S32-F43 PolarHBondContact N-O 2.96Å; S32-F43 PolarHBondContact O-N 3.42Å; S32-L347 WeakPolarHBondContact OG-CD2 3.26Å |
| 33 | I | 74.6 | Confident | 74.7 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.1 | -178.8 | -56.4 | -170.2 | 0 | 0 | 0 | 108.9 | V23 C24 V40 V41 I42 L72 I79 I93 | V23-I33 WeakPolarHBondContact CA-O 3.42Å; C24-I33 PolarHBondContact N-O 2.96Å; C24-I33 PolarHBondContact O-N 3.05Å; I33-V40 HydrophobicContact CG2-CG1 3.56Å; I33-V41 CarbonylContact C-O 3.53Å; I33-V41 WeakPolarHBondContact CA-O 3.38Å; I33-I42 HydrophobicContact CD1-CD1 4.29Å; I33-I42 HydrophobicContact CD1-CG1 4.18Å; I33-I42 HydrophobicContact CG1-CG1 4.07Å; I33-I42 HydrophobicContact CG1-CG2 4.26Å; I33-L72 HydrophobicContact CD1-CB 4.36Å; I33-L72 HydrophobicContact CD1-CD1 3.63Å; I33-L72 HydrophobicContact CD1-CD2 3.76Å; I33-L72 HydrophobicContact CD1-CG 4.12Å; I33-L72 HydrophobicContact CG1-CD2 4.03Å; I33-I79 HydrophobicContact CD1-CD1 3.82Å; I33-I79 HydrophobicContact CD1-CG1 3.82Å; I33-I93 HydrophobicContact CD1-CD1 4.28Å |
| 34 | V | 73.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.9 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | L17 V20 V23 V41 F43 L400 | L17-V34 HydrophobicContact CD1-CG1 4.4Å; V20-V34 HydrophobicContact CB-CG1 4.41Å; V20-V34 HydrophobicContact CG1-CG1 3.69Å; V20-V34 HydrophobicContact CG2-CG1 3.76Å; V23-V34 HydrophobicContact CG1-CG2 4.42Å; V23-V34 HydrophobicContact CG2-CG2 4.44Å; V34-V41 PolarHBondContact N-O 3.31Å; V34-V41 PolarHBondContact O-N 3.17Å; V34-F43 HydrophobicContact CB-CE2 4.1Å; V34-F43 HydrophobicContact CG2-CD2 3.91Å; V34-F43 HydrophobicContact CG2-CE2 3.77Å; V34-L400 HydrophobicContact CG2-CD1 4.21Å; V34-L400 HydrophobicContact CG2-CD2 3.71Å |
| 35 | C | 71.1 | Confident | 74.9 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.5 | -176.9 | -65 | 0 | 0 | 0 | 0 | 110.3 | V20 S21 A22 D39 A70 | V20-C35 CarbonylContact C-O 3.47Å; V20-C35 WeakPolarHBondContact CA-O 3.43Å; V20-C35 WeakPolarHBondContact CG1-O 3.46Å; S21-C35 PolarHBondContact N-O 2.83Å; S21-C35 PolarHBondContact OG-O 2.92Å; A22-C35 HydrophobicContact CB-CB 4.37Å; A22-C35 PolarHBondContact N-O 3.26Å; A22-C35 PolarHBondContact O-N 3.17Å; C35-D39 CarbonylContact C-O 3.57Å; C35-D39 WeakPolarHBondContact CA-O 3.47Å; C35-A70 HydrophobicContact CB-CB 4.11Å; C35-A70 WeakPolarHBondContact SG-CB 3.29Å |
| 36 | T | 72.8 | Confident | 75 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 177.4 | 162.9 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | L17 E19 V20 A38 D39 T67 | L17-T36 HydrophobicContact CB-CG2 4.08Å; L17-T36 HydrophobicContact CD2-CG2 3.8Å; L17-T36 HydrophobicContact CG-CG2 4.49Å; E19-T36 WeakPolarHBondContact O-CA 3.21Å; E19-T36 WeakPolarHBondContact O-CB 3.44Å; V20-T36 HydrophobicContact CG2-CG2 3.82Å; T36-A38 PolarHBondContact O-N 2.92Å; T36-A38 PolarHBondContact OG1-N 2.72Å; T36-D39 PolarHBondContact N-O 3.27Å; T36-D39 PolarHBondContact OG1-N 2.98Å; T36-D39 PolarHBondContact OG1-O 3.47Å; T36-T67 WeakPolarHBondContact O-CB 3.34Å; T36-T67 PolarHBondContact O-OG1 3.12Å |
| 37 | G | 71.9 | Confident | 74.9 | Confident | 17 Ų | 17 | 19 Ų | 19 | 18% | 0.175 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -54.9 | -21.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R56 L66 T67 | G37-R56 PolarHBondContact O-NH2 3.43Å; G37-L66 WeakPolarHBondContact O-CD2 3.45Å; G37-T67 PolarHBondContact O-N 3.03Å; G37-T67 PolarHBondContact O-OG1 3.35Å |
| 38 | A | 76.4 | Confident | 75.2 | Confident | 23 Ų | 23 | 17 Ų | 17 | 19% | 0.19 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -123.4 | -36.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T36 R56 L61 | T36-A38 PolarHBondContact O-N 2.92Å; T36-A38 PolarHBondContact OG1-N 2.72Å; A38-R56 WeakPolarHBondContact O-CB 3.46Å; A38-R56 WeakPolarHBondContact O-CG 3.37Å; A38-R56 PolarHBondContact O-N 2.85Å; A38-L61 HydrophobicContact CB-CD1 4.15Å; A38-L61 HydrophobicContact CB-CD2 4.3Å |
| 39 | D | 80.5 | Confident | 75.6 | Confident | 31 Ų | 31 | 16.6 Ų | 16.6 | 17% | 0.166 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 154.4 | -166.8 | -47 | -51.5 | 0 | 0 | 0 | 112.3 | C35 T36 F54 S55 | C35-D39 CarbonylContact C-O 3.57Å; C35-D39 WeakPolarHBondContact CA-O 3.47Å; T36-D39 PolarHBondContact N-O 3.27Å; T36-D39 PolarHBondContact OG1-N 2.98Å; T36-D39 PolarHBondContact OG1-O 3.47Å; D39-F54 CarbonylContact C-O 3.49Å; D39-F54 WeakPolarHBondContact CA-O 3.22Å; D39-S55 WeakPolarHBondContact OD1-CA 3.33Å; D39-S55 WeakPolarHBondContact OD1-CB 3.3Å; D39-S55 PolarHBondContact OD1-OG 3.08Å |
| 40 | V | 81 | Confident | 75.9 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.7 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | I33 F54 I79 L81 | I33-V40 HydrophobicContact CG2-CG1 3.56Å; V40-F54 PolarHBondContact N-O 3.35Å; V40-F54 PolarHBondContact O-N 3.24Å; V40-I79 HydrophobicContact CG1-CD1 4.14Å; V40-L81 HydrophobicContact CG2-CD1 3.75Å; V40-L81 HydrophobicContact CG2-CD2 4.05Å |
| 41 | V | 79.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 15.5 Ų | 15.5 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.5 | 178.7 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | L17 I33 V34 F43 A50 A52 | L17-V41 HydrophobicContact CD2-CG2 3.98Å; I33-V41 CarbonylContact C-O 3.53Å; I33-V41 WeakPolarHBondContact CA-O 3.38Å; V34-V41 PolarHBondContact N-O 3.31Å; V34-V41 PolarHBondContact O-N 3.17Å; V41-F43 HydrophobicContact CB-CD2 4.46Å; V41-F43 HydrophobicContact CB-CE2 3.86Å; V41-F43 HydrophobicContact CB-CZ 4.48Å; V41-F43 HydrophobicContact CG1-CD2 4.03Å; V41-F43 HydrophobicContact CG1-CE2 3.49Å; V41-F43 VanDerWaalsContact CG1-CE2 3.49Å; V41-F43 HydrophobicContact CG1-CZ 3.77Å; V41-A50 HydrophobicContact CG1-CB 4.08Å; V41-A52 WeakPolarHBondContact CA-O 3.49Å; V41-A52 WeakPolarHBondContact CG1-O 3.48Å |
| 42 | I | 80.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.9 | 174.3 | -49.3 | -177.4 | 0 | 0 | 0 | 108.3 | S32 I33 A50 I51 A52 I79 I93 I115 | S32-I42 CarbonylContact O-C 3.55Å; S32-I42 WeakPolarHBondContact O-CA 3.2Å; I33-I42 HydrophobicContact CD1-CD1 4.29Å; I33-I42 HydrophobicContact CD1-CG1 4.18Å; I33-I42 HydrophobicContact CG1-CG1 4.07Å; I33-I42 HydrophobicContact CG1-CG2 4.26Å; I42-A50 CarbonylContact O-C 3.45Å; I42-A50 WeakPolarHBondContact O-CA 3.17Å; I42-I51 HydrophobicContact CG2-CD1 4.39Å; I42-I51 PolarHBondContact O-N 2.94Å; I42-A52 HydrophobicContact CB-CB 3.92Å; I42-A52 HydrophobicContact CD1-CB 3.93Å; I42-A52 HydrophobicContact CG1-CB 3.93Å; I42-A52 PolarHBondContact N-O 3.17Å; I42-A52 PolarHBondContact O-N 2.63Å; I42-I79 HydrophobicContact CD1-CD1 4.25Å; I42-I93 HydrophobicContact CD1-CD1 3.8Å; I42-I93 HydrophobicContact CD1-CG1 4.02Å; I42-I93 HydrophobicContact CD1-CG2 4.2Å; I42-I115 HydrophobicContact CD1-CD1 3.8Å; I42-I115 HydrophobicContact CG1-CD1 4.42Å |
| 43 | F | 79.5 | Confident | 76.3 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149 | 176.8 | -66.8 | -94.7 | 0 | 0 | 0 | 111.2 | L11 T31 S32 V34 V41 C49 A50 L400 | L11-F43 HydrophobicContact CB-CE1 4.23Å; L11-F43 HydrophobicContact CD1-CD1 4.06Å; L11-F43 HydrophobicContact CD1-CE1 4.32Å; L11-F43 HydrophobicContact CD1-CG 4.4Å; L11-F43 HydrophobicContact CD2-CD1 4.44Å; T31-F43 CarbonylContact C-O 3.6Å; T31-F43 VanDerWaalsContact CA-O 3.25Å; T31-F43 WeakPolarHBondContact CA-O 3.44Å; T31-F43 WeakPolarHBondContact CB-O 3.48Å; S32-F43 PolarHBondContact N-O 2.96Å; S32-F43 PolarHBondContact O-N 3.42Å; V34-F43 HydrophobicContact CB-CE2 4.1Å; V34-F43 HydrophobicContact CG2-CD2 3.91Å; V34-F43 HydrophobicContact CG2-CE2 3.77Å; V41-F43 HydrophobicContact CB-CD2 4.46Å; V41-F43 HydrophobicContact CB-CE2 3.86Å; V41-F43 HydrophobicContact CB-CZ 4.48Å; V41-F43 HydrophobicContact CG1-CD2 4.03Å; V41-F43 HydrophobicContact CG1-CE2 3.49Å; V41-F43 VanDerWaalsContact CG1-CE2 3.49Å; V41-F43 HydrophobicContact CG1-CZ 3.77Å; F43-C49 CarbonylContact C-O 3.52Å; F43-C49 VanDerWaalsContact CA-O 3.27Å; F43-C49 WeakPolarHBondContact CA-O 3.4Å; F43-A50 HydrophobicContact CD1-CB 4.05Å; F43-A50 HydrophobicContact CE1-CB 3.97Å; F43-L400 HydrophobicContact CD2-CD2 4.22Å; F43-L400 HydrophobicContact CE2-CD2 3.77Å; F43-L400 HydrophobicContact CZ-CD2 3.94Å |
| 44 | H | 79.3 | Confident | 76.5 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.9 | 168 | -155.1 | -55.9 | 0 | 0 | 0 | 110 | E30 K46 F47 L48 C49 I51 C100 | E30-H44 CarbonylContact O-C 3.57Å; E30-H44 WeakPolarHBondContact O-CA 3.46Å; E30-H44 PolarHBondContact O-CE1 3.15Å; E30-H44 PolarHBondContact O-ND1 3.24Å; E30-H44 VanDerWaalsContact O-ND1 3.13Å; H44-K46 WeakPolarHBondContact ND1-CB 3.35Å; H44-K46 PolarHBondContact ND1-N 3.08Å; H44-F47 HydrophobicContact CB-CB 4.46Å; H44-F47 HydrophobicContact CB-CD2 4.29Å; H44-F47 AromaticContact CD2-CD2 3.97Å; H44-F47 AromaticContact CE1-CD2 3.94Å; H44-F47 AromaticContact CG-CD2 3.72Å; H44-F47 AromaticContact ND1-CD2 3.69Å; H44-L48 VanDerWaalsContact O-CA 3.3Å; H44-L48 WeakPolarHBondContact O-CA 3.35Å; H44-L48 PolarHBondContact O-N 2.95Å; H44-C49 PolarHBondContact N-O 2.67Å; H44-C49 PolarHBondContact O-N 3.43Å; H44-I51 HydrophobicContact CB-CD1 3.65Å; H44-I51 HydrophobicContact CB-CG1 3.88Å; H44-C100 VanDerWaalsContact CD2-SG 3.55Å; H44-C100 PolarHBondContact NE2-SG 3.18Å; H44-C100 VanDerWaalsContact NE2-SG 3.4Å |
| 45 | L | 75.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -32.3 | -174.3 | -65.2 | 177.4 | 0 | 0 | 0 | 113.8 | E30 F47 A340 L347 | E30-L45 PolarHBondContact O-N 3.32Å; L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.22Å; L45-A340 HydrophobicContact CD1-CB 3.71Å; L45-L347 HydrophobicContact CD1-CD1 4.31Å; L45-L347 HydrophobicContact CD2-CD1 3.96Å; L45-L347 HydrophobicContact CD2-CD2 3.98Å; L45-L347 HydrophobicContact CD2-CG 4.41Å |
| 46 | K | 76.8 | Confident | 77.1 | Confident | 54 Ų | 54 | 24.6 Ų | 24.6 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -37.4 | 170.3 | -174.9 | -173.6 | 178.6 | -167.3 | 0 | 113.3 | H44 N455 W458 | H44-K46 WeakPolarHBondContact ND1-CB 3.35Å; H44-K46 PolarHBondContact ND1-N 3.08Å; K46-N455 PolarHBondContact NZ-O 3.4Å; K46-W458 HydrophobicContact CB-CD2 4.1Å; K46-W458 HydrophobicContact CB-CE3 4.37Å; K46-W458 HydrophobicContact CB-CH2 4.37Å; K46-W458 HydrophobicContact CB-CZ2 4.07Å; K46-W458 HydrophobicContact CD-CB 4.15Å; K46-W458 HydrophobicContact CD-CD2 4.23Å; K46-W458 HydrophobicContact CD-CG 4.03Å; K46-W458 HydrophobicContact CG-CD2 3.94Å; K46-W458 HydrophobicContact CG-CG 3.94Å |
| 47 | F | 73.6 | Confident | 77.5 | Confident | 67 Ų | 67 | 27.9 Ų | 27.9 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -8.7 | -172.4 | -60.1 | -68.1 | 0 | 0 | 0 | 114.2 | H44 L45 C49 L103 | H44-F47 HydrophobicContact CB-CB 4.46Å; H44-F47 HydrophobicContact CB-CD2 4.29Å; H44-F47 AromaticContact CD2-CD2 3.97Å; H44-F47 AromaticContact CE1-CD2 3.94Å; H44-F47 AromaticContact CG-CD2 3.72Å; H44-F47 AromaticContact ND1-CD2 3.69Å; L45-F47 VanDerWaalsContact C-N 3.31Å; L45-F47 PolarHBondContact O-N 3.22Å; F47-C49 VanDerWaalsContact C-N 3.26Å; F47-C49 PolarHBondContact O-N 2.8Å; F47-L103 HydrophobicContact CD2-CB 4.09Å; F47-L103 HydrophobicContact CD2-CD1 3.93Å; F47-L103 HydrophobicContact CD2-CG 4.48Å; F47-L103 HydrophobicContact CE1-CB 4.37Å; F47-L103 HydrophobicContact CE2-CB 3.55Å; F47-L103 HydrophobicContact CE2-CD1 4.02Å; F47-L103 HydrophobicContact CE2-CG 4.35Å; F47-L103 HydrophobicContact CZ-CB 3.7Å |
| 48 | L | 75.4 | Confident | 77.7 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 34.6 | -179.2 | -59.6 | 174.2 | 0 | 0 | 0 | 114.1 | L11 H44 V402 | L11-L48 HydrophobicContact CD2-CB 3.91Å; L11-L48 HydrophobicContact CD2-CD2 4.39Å; L11-L48 WeakPolarHBondContact CD2-O 3.36Å; H44-L48 VanDerWaalsContact O-CA 3.3Å; H44-L48 WeakPolarHBondContact O-CA 3.35Å; H44-L48 PolarHBondContact O-N 2.95Å; L48-V402 HydrophobicContact CD2-CB 4.49Å; L48-V402 HydrophobicContact CD2-CG1 4.35Å; L48-V402 HydrophobicContact CD2-CG2 4.19Å |
| 49 | C | 74.6 | Confident | 77.8 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 17% | 0.169 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.9 | -176.5 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | F43 H44 F47 P109 | F43-C49 CarbonylContact C-O 3.52Å; F43-C49 VanDerWaalsContact CA-O 3.27Å; F43-C49 WeakPolarHBondContact CA-O 3.4Å; H44-C49 PolarHBondContact N-O 2.67Å; H44-C49 PolarHBondContact O-N 3.43Å; F47-C49 VanDerWaalsContact C-N 3.26Å; F47-C49 PolarHBondContact O-N 2.8Å; C49-P109 HydrophobicContact CB-CG 4.31Å |
| 50 | A | 73.9 | Confident | 77.7 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 128 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V41 I42 F43 | V41-A50 HydrophobicContact CG1-CB 4.08Å; I42-A50 CarbonylContact O-C 3.45Å; I42-A50 WeakPolarHBondContact O-CA 3.17Å; F43-A50 HydrophobicContact CD1-CB 4.05Å; F43-A50 HydrophobicContact CE1-CB 3.97Å |
| 51 | I | 75.5 | Confident | 77.6 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -24.2 | 179.8 | -12.6 | 170.8 | 0 | 0 | 0 | 112.7 | T31 I42 H44 L96 V99 P111 I113 | T31-I51 HydrophobicContact CG2-CD1 4.19Å; I42-I51 HydrophobicContact CG2-CD1 4.39Å; I42-I51 PolarHBondContact O-N 2.94Å; H44-I51 HydrophobicContact CB-CD1 3.65Å; H44-I51 HydrophobicContact CB-CG1 3.88Å; I51-L96 HydrophobicContact CD1-CD2 4.19Å; I51-V99 HydrophobicContact CG2-CG1 3.7Å; I51-P111 VanDerWaalsContact O-CA 3.23Å; I51-P111 WeakPolarHBondContact O-CA 3.41Å; I51-P111 WeakPolarHBondContact O-CB 3.33Å; I51-I113 HydrophobicContact CB-CD1 3.94Å; I51-I113 HydrophobicContact CG2-CD1 3.66Å; I51-I113 HydrophobicContact CG2-CG1 4.41Å |
| 52 | A | 75.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 145.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V41 I42 I113 I115 | V41-A52 WeakPolarHBondContact CA-O 3.49Å; V41-A52 WeakPolarHBondContact CG1-O 3.48Å; I42-A52 HydrophobicContact CB-CB 3.92Å; I42-A52 HydrophobicContact CD1-CB 3.93Å; I42-A52 HydrophobicContact CG1-CB 3.93Å; I42-A52 PolarHBondContact N-O 3.17Å; I42-A52 PolarHBondContact O-N 2.63Å; A52-I113 HydrophobicContact CB-CB 3.95Å; A52-I113 HydrophobicContact CB-CG2 4.25Å; A52-I115 HydrophobicContact CB-CD1 3.98Å |
| 53 | H | 78.9 | Confident | 77.6 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.8 | 171.7 | 173.6 | -74 | 0 | 0 | 0 | 109.2 | C15 | C15-H53 VanDerWaalsContact SG-CD2 3.59Å; C15-H53 PolarHBondContact SG-NE2 3.37Å |
| 54 | F | 79.1 | Confident | 77.6 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 122.2 | -178.8 | 169.8 | -101.5 | 0 | 0 | 0 | 110.8 | D39 V40 R56 Y91 I115 | D39-F54 CarbonylContact C-O 3.49Å; D39-F54 WeakPolarHBondContact CA-O 3.22Å; V40-F54 PolarHBondContact N-O 3.35Å; V40-F54 PolarHBondContact O-N 3.24Å; F54-R56 HydrophobicContact CE1-CG 3.8Å; F54-R56 HydrophobicContact CZ-CG 4.44Å; F54-Y91 HydrophobicContact CD1-CE1 4.41Å; F54-Y91 HydrophobicContact CE1-CD1 4.32Å; F54-Y91 AromaticContact CE1-CE1 3.49Å; F54-Y91 HydrophobicContact CE1-CE1 3.49Å; F54-Y91 VanDerWaalsContact CE1-CE1 3.49Å; F54-Y91 AromaticContact CE1-CZ 3.65Å; F54-Y91 HydrophobicContact CE2-CE1 4.49Å; F54-Y91 HydrophobicContact CZ-CD1 4.46Å; F54-Y91 AromaticContact CZ-CE1 3.55Å; F54-Y91 HydrophobicContact CZ-CE1 3.55Å; F54-I115 HydrophobicContact CB-CD1 4.09Å |
| 55 | S | 80.6 | Confident | 77.8 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.3 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | D39 | D39-S55 WeakPolarHBondContact OD1-CA 3.33Å; D39-S55 WeakPolarHBondContact OD1-CB 3.3Å; D39-S55 PolarHBondContact OD1-OG 3.08Å |
| 56 | R | 78.1 | Confident | 78.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 131.8 | 177 | -66 | -168.3 | -58.4 | 137.5 | 4.7 | 110.6 | G37 A38 F54 L61 G65 T67 | G37-R56 PolarHBondContact O-NH2 3.43Å; A38-R56 WeakPolarHBondContact O-CB 3.46Å; A38-R56 WeakPolarHBondContact O-CG 3.37Å; A38-R56 PolarHBondContact O-N 2.85Å; F54-R56 HydrophobicContact CE1-CG 3.8Å; F54-R56 HydrophobicContact CZ-CG 4.44Å; R56-L61 HydrophobicContact CB-CD2 3.9Å; R56-L61 HydrophobicContact CB-CG 4.42Å; R56-G65 PolarHBondContact NH1-O 3.36Å; R56-G65 PolarHBondContact NH2-O 3.45Å; R56-T67 PolarHBondContact NE-OG1 3.11Å; R56-T67 VanDerWaalsContact NH2-N 3.13Å; R56-T67 PolarHBondContact NH2-OG1 3.04Å; R56-T67 VanDerWaalsContact NH2-OG1 3.17Å |
| 57 | S | 80.5 | Confident | 78.4 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 51% | 0.51 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.8 | -178.9 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | L59 C60 L61 | S57-L59 PolarHBondContact O-N 3.46Å; S57-L59 VanDerWaalsContact O-N 3.12Å; S57-C60 WeakPolarHBondContact O-CA 3.1Å; S57-C60 WeakPolarHBondContact O-CB 3.27Å; S57-C60 PolarHBondContact O-N 3.21Å; S57-C60 PolarHBondContact OG-N 3.45Å; S57-L61 PolarHBondContact O-N 2.86Å |
| 58 | I | 77.3 | Confident | 78.7 | Confident | 136 Ų | 136 | 50.7 Ų | 50.7 | 70% | 0.697 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -53.8 | -36.4 | -179.3 | -69 | 168.2 | 0 | 0 | 0 | 112 | L61 T62 | I58-L61 WeakPolarHBondContact O-CB 3.48Å; I58-L61 PolarHBondContact O-N 3.48Å; I58-T62 WeakPolarHBondContact O-CG2 3.29Å; I58-T62 PolarHBondContact O-N 3.03Å; I58-T62 PolarHBondContact O-OG1 2.7Å |
| 59 | L | 77.2 | Confident | 78.7 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 66% | 0.66 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.3 | -52.3 | 173.1 | -66.6 | 172.7 | 0 | 0 | 0 | 111.4 | S57 L61 T62 E63 | S57-L59 PolarHBondContact O-N 3.46Å; S57-L59 VanDerWaalsContact O-N 3.12Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.38Å; L59-T62 PolarHBondContact O-N 2.72Å; L59-T62 VanDerWaalsContact O-N 3.1Å; L59-T62 PolarHBondContact O-OG1 3Å; L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 2.91Å |
| 60 | C | 77.6 | Confident | 79.1 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | S57 N64 | S57-C60 WeakPolarHBondContact O-CA 3.1Å; S57-C60 WeakPolarHBondContact O-CB 3.27Å; S57-C60 PolarHBondContact O-N 3.21Å; S57-C60 PolarHBondContact OG-N 3.45Å; C60-N64 WeakPolarHBondContact O-CB 3.37Å; C60-N64 PolarHBondContact O-N 2.9Å; C60-N64 PolarHBondContact O-ND2 3.44Å; C60-N64 PolarHBondContact SG-ND2 3Å; C60-N64 VanDerWaalsContact SG-ND2 3.41Å |
| 61 | L | 79.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 173.3 | -61.3 | 179.8 | 0 | 0 | 0 | 111.2 | A38 R56 S57 I58 L59 G65 | A38-L61 HydrophobicContact CB-CD1 4.15Å; A38-L61 HydrophobicContact CB-CD2 4.3Å; R56-L61 HydrophobicContact CB-CD2 3.9Å; R56-L61 HydrophobicContact CB-CG 4.42Å; S57-L61 PolarHBondContact O-N 2.86Å; I58-L61 WeakPolarHBondContact O-CB 3.48Å; I58-L61 PolarHBondContact O-N 3.48Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.38Å; L61-G65 VanDerWaalsContact O-CA 3.27Å; L61-G65 WeakPolarHBondContact O-CA 3.5Å; L61-G65 PolarHBondContact O-N 3.39Å |
| 62 | T | 79.7 | Confident | 79.7 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | I58 L59 K85 | I58-T62 WeakPolarHBondContact O-CG2 3.29Å; I58-T62 PolarHBondContact O-N 3.03Å; I58-T62 PolarHBondContact O-OG1 2.7Å; L59-T62 PolarHBondContact O-N 2.72Å; L59-T62 VanDerWaalsContact O-N 3.1Å; L59-T62 PolarHBondContact O-OG1 3Å; T62-K85 PolarHBondContact O-NZ 2.86Å |
| 63 | E | 81.7 | Confident | 80 | Confident | 134 Ų | 134 | 50 Ų | 50 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72.2 | -53.9 | 178.8 | -70.8 | -179.7 | 159.2 | 0 | 0 | 111.6 | L59 K85 | L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 2.91Å; E63-K85 WeakPolarHBondContact O-CD 3.5Å; E63-K85 WeakPolarHBondContact O-CE 3.17Å; E63-K85 PolarHBondContact O-NZ 2.92Å |
| 64 | N | 78.8 | Confident | 79.6 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -99.6 | -19.3 | -167.2 | -57.1 | -53.7 | 0 | 0 | 0 | 114.3 | C60 T83 K85 | C60-N64 WeakPolarHBondContact O-CB 3.37Å; C60-N64 PolarHBondContact O-N 2.9Å; C60-N64 PolarHBondContact O-ND2 3.44Å; C60-N64 PolarHBondContact SG-ND2 3Å; C60-N64 VanDerWaalsContact SG-ND2 3.41Å; N64-T83 HydrophobicContact CB-CG2 4.09Å; N64-T83 WeakPolarHBondContact O-CB 3.27Å; N64-T83 PolarHBondContact O-OG1 3.08Å; N64-K85 WeakPolarHBondContact O-CB 3.46Å; N64-K85 WeakPolarHBondContact O-CG 3.49Å |
| 65 | G | 83.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | trans | 92 | 178.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R56 L61 | R56-G65 PolarHBondContact NH1-O 3.36Å; R56-G65 PolarHBondContact NH2-O 3.45Å; L61-G65 VanDerWaalsContact O-CA 3.27Å; L61-G65 WeakPolarHBondContact O-CA 3.5Å; L61-G65 PolarHBondContact O-N 3.39Å | ||
| 66 | L | 83.3 | Confident | 79.2 | Confident | 83 Ų | 83 | 45.9 Ų | 45.9 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -71 | 160.3 | 179.1 | -60.3 | 171.2 | 0 | 0 | 0 | 111.3 | G37 S68 T83 E84 | G37-L66 WeakPolarHBondContact O-CD2 3.45Å; L66-S68 PolarHBondContact O-N 2.91Å; L66-T83 VanDerWaalsContact O-CA 3.22Å; L66-T83 WeakPolarHBondContact O-CA 3.39Å; L66-T83 WeakPolarHBondContact O-CB 3.44Å; L66-E84 HydrophobicContact CB-CG 4.46Å; L66-E84 WeakPolarHBondContact CB-OE2 3.15Å; L66-E84 PolarHBondContact N-OE2 3.33Å; L66-E84 VanDerWaalsContact N-OE2 3.13Å; L66-E84 PolarHBondContact O-N 2.91Å; L66-E84 VanDerWaalsContact O-N 3.15Å |
| 67 | T | 82.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 108.8 | 178.8 | -45.1 | 0 | 0 | 0 | 0 | 109.7 | S21 T36 G37 R56 L81 C82 | S21-T67 WeakPolarHBondContact CB-O 3.29Å; S21-T67 PolarHBondContact OG-O 2.87Å; T36-T67 WeakPolarHBondContact O-CB 3.34Å; T36-T67 PolarHBondContact O-OG1 3.12Å; G37-T67 PolarHBondContact O-N 3.03Å; G37-T67 PolarHBondContact O-OG1 3.35Å; R56-T67 PolarHBondContact NE-OG1 3.11Å; R56-T67 VanDerWaalsContact NH2-N 3.13Å; R56-T67 PolarHBondContact NH2-OG1 3.04Å; R56-T67 VanDerWaalsContact NH2-OG1 3.17Å; T67-L81 HydrophobicContact CG2-CB 4.16Å; T67-L81 HydrophobicContact CG2-CD2 4.22Å; T67-C82 CarbonylContact C-O 3.53Å |
| 68 | S | 79.2 | Confident | 79.6 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -28.5 | -178.8 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | L66 C82 | L66-S68 PolarHBondContact O-N 2.91Å; S68-C82 PolarHBondContact N-O 3.4Å; S68-C82 PolarHBondContact OG-O 3.35Å |
| 69 | S | 77.4 | Confident | 80 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 164.8 | 174.6 | 58 | 0 | 0 | 0 | 0 | 110.3 | C82 | S69-C82 PolarHBondContact N-O 3.04Å; S69-C82 PolarHBondContact O-N 2.82Å; S69-C82 WeakPolarHBondContact OG-CB 3.5Å |
| 70 | A | 83 | Confident | 80.5 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 153.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A22 C24 C35 L80 L81 | A22-A70 HydrophobicContact CB-CB 3.99Å; C24-A70 PolarHBondContact SG-O 3.23Å; C35-A70 HydrophobicContact CB-CB 4.11Å; C35-A70 WeakPolarHBondContact SG-CB 3.29Å; A70-L80 CarbonylContact C-O 3.57Å; A70-L80 WeakPolarHBondContact CA-O 3.32Å; A70-L81 HydrophobicContact CB-CD2 3.63Å |
| 71 | V | 80.8 | Confident | 80.9 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 132.4 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | L80 V130 W151 | V71-L80 PolarHBondContact N-O 3.4Å; V71-L80 PolarHBondContact O-N 3.1Å; V71-V130 HydrophobicContact CG2-CB 4.24Å; V71-V130 HydrophobicContact CG2-CG1 3.96Å; V71-W151 HydrophobicContact CB-CH2 4.33Å; V71-W151 HydrophobicContact CG1-CH2 3.92Å; V71-W151 HydrophobicContact CG1-CZ2 4.4Å |
| 72 | L | 80.4 | Confident | 81.2 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.084 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 139.7 | 173.4 | 179.8 | 53.4 | 0 | 0 | 0 | 109.6 | C24 I33 K78 I79 I93 | C24-L72 HydrophobicContact CB-CB 4.5Å; I33-L72 HydrophobicContact CD1-CB 4.36Å; I33-L72 HydrophobicContact CD1-CD1 3.63Å; I33-L72 HydrophobicContact CD1-CD2 3.76Å; I33-L72 HydrophobicContact CD1-CG 4.12Å; I33-L72 HydrophobicContact CG1-CD2 4.03Å; L72-K78 WeakPolarHBondContact CD1-O 3.47Å; L72-I79 HydrophobicContact CD1-CG1 4.42Å; L72-I93 HydrophobicContact CD1-CD1 4.16Å |
| 73 | K | 81.5 | Confident | 81.6 | Confident | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | trans | -70 | 141.1 | 167.8 | -169.2 | 173.5 | -175.8 | -72.5 | 0 | 109.3 | D75 S76 K78 E135 W151 | K73-D75 WeakPolarHBondContact CD-OD1 3.48Å; K73-D75 VanDerWaalsContact CG-OD1 3.28Å; K73-D75 WeakPolarHBondContact CG-OD1 3.39Å; K73-D75 VanDerWaalsContact NZ-CG 3.26Å; K73-D75 IonicContact NZ-OD1 2.65Å; K73-D75 IonicContact NZ-OD2 2.86Å; K73-D75 PolarHBondContact NZ-OD2 3.38Å; K73-D75 PolarHBondContact O-N 3.36Å; K73-D75 VanDerWaalsContact O-N 3.13Å; K73-S76 PolarHBondContact O-N 3.11Å; K73-K78 HydrophobicContact CB-CB 4.18Å; K73-K78 WeakPolarHBondContact CB-O 3.16Å; K73-K78 HydrophobicContact CD-CB 4.38Å; K73-K78 PolarHBondContact N-O 3.15Å; K73-E135 WeakPolarHBondContact CE-OE1 3.28Å; K73-E135 WeakPolarHBondContact CE-OE2 3.45Å; K73-E135 IonicContact NZ-OE1 3.19Å; K73-E135 PolarHBondContact NZ-OE1 3.47Å; K73-E135 IonicContact NZ-OE2 2.62Å; K73-W151 HydrophobicContact CB-CD2 3.98Å; K73-W151 HydrophobicContact CB-CE3 4.03Å; K73-W151 HydrophobicContact CB-CH2 3.92Å; K73-W151 HydrophobicContact CB-CZ2 3.86Å; K73-W151 HydrophobicContact CB-CZ3 3.99Å; K73-W151 HydrophobicContact CD-CB 4.17Å; K73-W151 HydrophobicContact CD-CD2 3.91Å; K73-W151 HydrophobicContact CD-CG 3.72Å; K73-W151 HydrophobicContact CG-CD2 3.98Å; K73-W151 HydrophobicContact CG-CG 4.23Å; K73-W151 HydrophobicContact CG-CZ2 4.15Å | ||
| 74 | W | 71 | Confident | 81.7 | Confident | 56 Ų | 56 | 24.2 Ų | 24.2 | 21% | 0.212 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -44.3 | -175.9 | 60.5 | -85.9 | 0 | 0 | 0 | 114.1 | E27 S76 E135 Y1479 | E27-W74 HydrophobicContact CB-CB 4.18Å; E27-W74 HydrophobicContact CG-CB 4Å; E27-W74 PolarHBondContact N-O 3.28Å; E27-W74 VanDerWaalsContact OE1-CB 3.32Å; E27-W74 WeakPolarHBondContact OE1-CB 3.43Å; W74-S76 PolarHBondContact O-N 3.28Å; W74-E135 WeakPolarHBondContact CZ2-OE1 3.44Å; W74-E135 PolarHBondContact NE1-OE1 3.15Å; W74-Y1479 HydrophobicContact CH2-CD1 4.38Å; W74-Y1479 AromaticContact CH2-CE1 3.82Å; W74-Y1479 HydrophobicContact CH2-CE1 3.82Å; W74-Y1479 HydrophobicContact CZ3-CD1 4.27Å; W74-Y1479 AromaticContact CZ3-CE1 3.44Å; W74-Y1479 HydrophobicContact CZ3-CE1 3.44Å; W74-Y1479 VanDerWaalsContact CZ3-CE1 3.44Å; W74-Y1479 HydrophobicContact CZ3-CE2 4.45Å; W74-Y1479 AromaticContact CZ3-CZ 3.57Å |
| 75 | D | 73 | Confident | 81.8 | Confident | 46 Ų | 46 | 26.9 Ų | 26.9 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 13.6 | 179.6 | 67.5 | 1.4 | 0 | 0 | 0 | 115.1 | K73 S77 | K73-D75 WeakPolarHBondContact CD-OD1 3.48Å; K73-D75 VanDerWaalsContact CG-OD1 3.28Å; K73-D75 WeakPolarHBondContact CG-OD1 3.39Å; K73-D75 VanDerWaalsContact NZ-CG 3.26Å; K73-D75 IonicContact NZ-OD1 2.65Å; K73-D75 IonicContact NZ-OD2 2.86Å; K73-D75 PolarHBondContact NZ-OD2 3.38Å; K73-D75 PolarHBondContact O-N 3.36Å; K73-D75 VanDerWaalsContact O-N 3.13Å; D75-S77 PolarHBondContact O-N 3.43Å; D75-S77 VanDerWaalsContact OD1-CB 3.23Å; D75-S77 WeakPolarHBondContact OD1-CB 3.27Å; D75-S77 PolarHBondContact OD1-N 3.28Å; D75-S77 PolarHBondContact OD1-OG 2.99Å; D75-S77 PolarHBondContact OD2-OG 3.14Å |
| 76 | S | 77.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 58.3 | 7.5 | -178 | -48.8 | 0 | 0 | 0 | 0 | 115.6 | S26 D28 K73 W74 I93 L96 | S26-S76 WeakPolarHBondContact CB-OG 3.34Å; D28-S76 PolarHBondContact OD2-OG 2.98Å; K73-S76 PolarHBondContact O-N 3.11Å; W74-S76 PolarHBondContact O-N 3.28Å; S76-I93 WeakPolarHBondContact O-CD1 3.34Å; S76-L96 WeakPolarHBondContact O-CD1 3.35Å |
| 77 | S | 81.5 | Confident | 81.9 | Confident | 34 Ų | 34 | 22.7 Ų | 22.7 | 24% | 0.238 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -82.9 | -26.5 | -169.6 | 70 | 0 | 0 | 0 | 0 | 114.6 | D75 S92 I93 | D75-S77 PolarHBondContact O-N 3.43Å; D75-S77 VanDerWaalsContact OD1-CB 3.23Å; D75-S77 WeakPolarHBondContact OD1-CB 3.27Å; D75-S77 PolarHBondContact OD1-N 3.28Å; D75-S77 PolarHBondContact OD1-OG 2.99Å; D75-S77 PolarHBondContact OD2-OG 3.14Å; S77-S92 WeakPolarHBondContact O-CA 3.26Å; S77-S92 PolarHBondContact O-OG 3.29Å; S77-I93 PolarHBondContact O-N 3.28Å |
| 78 | K | 85.5 | Confident | 82.1 | Confident | 33 Ų | 33 | 22.5 Ų | 22.5 | 14% | 0.143 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.4 | -169.9 | -69.3 | 172.2 | -173.3 | 175.7 | 0 | 111.7 | L72 K73 Y91 L118 W151 E1468 | L72-K78 WeakPolarHBondContact CD1-O 3.47Å; K73-K78 HydrophobicContact CB-CB 4.18Å; K73-K78 WeakPolarHBondContact CB-O 3.16Å; K73-K78 HydrophobicContact CD-CB 4.38Å; K73-K78 PolarHBondContact N-O 3.15Å; K78-Y91 CarbonylContact C-O 3.58Å; K78-Y91 WeakPolarHBondContact CA-O 3.33Å; K78-Y91 WeakPolarHBondContact CB-O 3.29Å; K78-L118 HydrophobicContact CD-CD1 3.9Å; K78-L118 HydrophobicContact CG-CD1 4.05Å; K78-W151 HydrophobicContact CB-CE3 4.17Å; K78-W151 HydrophobicContact CD-CB 4.31Å; K78-E1468 IonicContact NZ-OE1 3.18Å |
| 79 | I | 86.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.2 | 173.5 | -43.6 | 172.3 | 0 | 0 | 0 | 108 | I33 V40 I42 L72 L81 I90 Y91 I93 | I33-I79 HydrophobicContact CD1-CD1 3.82Å; I33-I79 HydrophobicContact CD1-CG1 3.82Å; V40-I79 HydrophobicContact CG1-CD1 4.14Å; I42-I79 HydrophobicContact CD1-CD1 4.25Å; L72-I79 HydrophobicContact CD1-CG1 4.42Å; I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.45Å; I79-I90 CarbonylContact O-C 3.57Å; I79-I90 WeakPolarHBondContact O-CA 3.4Å; I79-Y91 PolarHBondContact N-O 2.96Å; I79-Y91 PolarHBondContact O-N 2.7Å; I79-I93 HydrophobicContact CD1-CD1 3.84Å; I79-I93 HydrophobicContact CD1-CG1 3.89Å; I79-I93 HydrophobicContact CG1-CD1 3.51Å; I79-I93 HydrophobicContact CG1-CG1 3.8Å |
| 80 | L | 86.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.3 | 168.8 | -173.5 | 165.7 | 0 | 0 | 0 | 108.9 | A70 V71 L88 I90 V130 V137 W151 | A70-L80 CarbonylContact C-O 3.57Å; A70-L80 WeakPolarHBondContact CA-O 3.32Å; V71-L80 PolarHBondContact N-O 3.4Å; V71-L80 PolarHBondContact O-N 3.1Å; L80-L88 HydrophobicContact CD2-CB 4.36Å; L80-L88 HydrophobicContact CD2-CD2 4.21Å; L80-I90 HydrophobicContact CD1-CD1 4.43Å; L80-I90 HydrophobicContact CD1-CG1 4.13Å; L80-I90 HydrophobicContact CG-CG1 4.06Å; L80-V130 HydrophobicContact CD2-CG1 3.88Å; L80-V137 HydrophobicContact CD1-CB 4.44Å; L80-V137 HydrophobicContact CD1-CG1 4Å; L80-V137 HydrophobicContact CD1-CG2 4.12Å; L80-W151 HydrophobicContact CB-CE3 4.39Å; L80-W151 HydrophobicContact CB-CH2 4.39Å; L80-W151 HydrophobicContact CB-CZ3 3.68Å |
| 81 | L | 87.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 130 | 172.4 | -53 | -176.9 | 0 | 0 | 0 | 109.5 | V40 T67 A70 I79 L88 L89 Y91 | V40-L81 HydrophobicContact CG2-CD1 3.75Å; V40-L81 HydrophobicContact CG2-CD2 4.05Å; T67-L81 HydrophobicContact CG2-CB 4.16Å; T67-L81 HydrophobicContact CG2-CD2 4.22Å; A70-L81 HydrophobicContact CB-CD2 3.63Å; I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.45Å; L81-L88 WeakPolarHBondContact O-CA 3.36Å; L81-L89 HydrophobicContact CB-CB 4.38Å; L81-L89 PolarHBondContact N-O 3.37Å; L81-L89 PolarHBondContact O-N 2.82Å; L81-Y91 HydrophobicContact CD1-CD2 4.28Å; L81-Y91 HydrophobicContact CD1-CE2 3.62Å; L81-Y91 HydrophobicContact CG-CD2 4.24Å; L81-Y91 HydrophobicContact CG-CE2 3.96Å |
| 82 | C | 86.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.2 | 167.6 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | T67 S68 S69 L88 C128 V130 | T67-C82 CarbonylContact C-O 3.53Å; S68-C82 PolarHBondContact N-O 3.4Å; S68-C82 PolarHBondContact OG-O 3.35Å; S69-C82 PolarHBondContact N-O 3.04Å; S69-C82 PolarHBondContact O-N 2.82Å; S69-C82 WeakPolarHBondContact OG-CB 3.5Å; C82-L88 HydrophobicContact CB-CD2 3.97Å; C82-C128 PolarHBondContact SG-O 3.36Å; C82-C128 VanDerWaalsContact SG-O 3.38Å; C82-V130 HydrophobicContact CB-CG2 3.71Å |
| 83 | T | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 158.7 | 171.9 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | N64 L66 K85 G86 T87 L89 | N64-T83 HydrophobicContact CB-CG2 4.09Å; N64-T83 WeakPolarHBondContact O-CB 3.27Å; N64-T83 PolarHBondContact O-OG1 3.08Å; L66-T83 VanDerWaalsContact O-CA 3.22Å; L66-T83 WeakPolarHBondContact O-CA 3.39Å; L66-T83 WeakPolarHBondContact O-CB 3.44Å; T83-K85 PolarHBondContact O-N 3.4Å; T83-K85 VanDerWaalsContact O-N 3.08Å; T83-G86 PolarHBondContact O-N 3.11Å; T83-T87 PolarHBondContact N-O 2.84Å; T83-T87 PolarHBondContact OG1-N 3.4Å; T83-T87 PolarHBondContact OG1-O 2.98Å; T83-L89 HydrophobicContact CG2-CD1 4.16Å |
| 84 | E | 82.6 | Confident | 82.5 | Confident | 95 Ų | 95 | 21.1 Ų | 21.1 | 44% | 0.444 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.4 | 177.4 | -62.7 | 168.6 | 136.4 | 0 | 0 | 113.8 | L66 G86 C126 K127 | L66-E84 HydrophobicContact CB-CG 4.46Å; L66-E84 WeakPolarHBondContact CB-OE2 3.15Å; L66-E84 PolarHBondContact N-OE2 3.33Å; L66-E84 VanDerWaalsContact N-OE2 3.13Å; L66-E84 PolarHBondContact O-N 2.91Å; L66-E84 VanDerWaalsContact O-N 3.15Å; E84-G86 VanDerWaalsContact C-N 3.31Å; E84-G86 PolarHBondContact O-N 3.05Å; E84-C126 CarbonylContact O-C 3.52Å; E84-K127 PolarHBondContact O-N 3.33Å |
| 85 | K | 82.7 | Confident | 82.2 | Confident | 82 Ų | 82 | 24.5 Ų | 24.5 | 36% | 0.357 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 14.3 | 179.2 | -52 | -173.1 | -166 | 178.6 | 0 | 114 | T62 E63 N64 T83 T87 A124 | T62-K85 PolarHBondContact O-NZ 2.86Å; E63-K85 WeakPolarHBondContact O-CD 3.5Å; E63-K85 WeakPolarHBondContact O-CE 3.17Å; E63-K85 PolarHBondContact O-NZ 2.92Å; N64-K85 WeakPolarHBondContact O-CB 3.46Å; N64-K85 WeakPolarHBondContact O-CG 3.49Å; T83-K85 PolarHBondContact O-N 3.4Å; T83-K85 VanDerWaalsContact O-N 3.08Å; K85-T87 PolarHBondContact O-N 3.4Å; K85-A124 VanDerWaalsContact O-O 3.1Å |
| 86 | G | 81.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 72.2 | 26.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T83 E84 V123 A124 C126 | T83-G86 PolarHBondContact O-N 3.11Å; E84-G86 VanDerWaalsContact C-N 3.31Å; E84-G86 PolarHBondContact O-N 3.05Å; G86-V123 PolarHBondContact O-N 3Å; G86-A124 PolarHBondContact O-N 3.44Å; G86-C126 WeakPolarHBondContact CA-O 3.38Å; G86-C126 PolarHBondContact N-O 2.86Å; G86-C126 VanDerWaalsContact N-O 3.09Å |
| 87 | T | 86.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.9 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | T83 K85 L89 S120 R122 | T83-T87 PolarHBondContact N-O 2.84Å; T83-T87 PolarHBondContact OG1-N 3.4Å; T83-T87 PolarHBondContact OG1-O 2.98Å; K85-T87 PolarHBondContact O-N 3.4Å; T87-L89 HydrophobicContact CG2-CD2 4.39Å; T87-S120 WeakPolarHBondContact CG2-OG 3.45Å; T87-R122 HydrophobicContact CG2-CB 4.36Å; T87-R122 WeakPolarHBondContact OG1-CG 3.22Å |
| 88 | L | 85.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.5 | -178.3 | -49.5 | 177.7 | 0 | 0 | 0 | 109 | L80 L81 C82 S120 V121 V123 V130 V139 L149 | L80-L88 HydrophobicContact CD2-CB 4.36Å; L80-L88 HydrophobicContact CD2-CD2 4.21Å; L81-L88 WeakPolarHBondContact O-CA 3.36Å; C82-L88 HydrophobicContact CB-CD2 3.97Å; L88-S120 CarbonylContact O-C 3.52Å; L88-S120 WeakPolarHBondContact O-CA 3.34Å; L88-V121 PolarHBondContact N-O 2.98Å; L88-V121 PolarHBondContact O-N 3.34Å; L88-V123 HydrophobicContact CD1-CG2 3.57Å; L88-V123 HydrophobicContact CG-CG2 4.13Å; L88-V130 HydrophobicContact CD2-CG2 3.93Å; L88-V139 HydrophobicContact CD1-CG1 4.3Å; L88-V139 HydrophobicContact CD1-CG2 3.67Å; L88-V139 HydrophobicContact CD2-CG1 4.49Å; L88-L149 HydrophobicContact CD1-CD1 3.39Å |
| 89 | L | 87.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.5 | 179.3 | -58.3 | 174.1 | 0 | 0 | 0 | 108.1 | L81 T83 T87 Y91 L117 | L81-L89 HydrophobicContact CB-CB 4.38Å; L81-L89 PolarHBondContact N-O 3.37Å; L81-L89 PolarHBondContact O-N 2.82Å; T83-L89 HydrophobicContact CG2-CD1 4.16Å; T87-L89 HydrophobicContact CG2-CD2 4.39Å; L89-Y91 HydrophobicContact CB-CD2 4.37Å; L89-Y91 HydrophobicContact CB-CE2 3.57Å; L89-Y91 WeakPolarHBondContact O-CD2 3.45Å; L89-L117 HydrophobicContact CB-CD1 3.89Å; L89-L117 HydrophobicContact CD2-CD1 4.19Å |
| 90 | I | 87.2 | Confident | 76.8 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.8 | 178.6 | -54.1 | 176.6 | 0 | 0 | 0 | 108.3 | I79 L80 L118 K119 | I79-I90 CarbonylContact O-C 3.57Å; I79-I90 WeakPolarHBondContact O-CA 3.4Å; L80-I90 HydrophobicContact CD1-CD1 4.43Å; L80-I90 HydrophobicContact CD1-CG1 4.13Å; L80-I90 HydrophobicContact CG-CG1 4.06Å; I90-L118 HydrophobicContact CG2-CB 4.49Å; I90-L118 HydrophobicContact CG2-CD1 4.25Å; I90-L118 WeakPolarHBondContact O-CB 3.27Å; I90-L118 PolarHBondContact O-N 3.33Å; I90-K119 PolarHBondContact N-O 3.27Å; I90-K119 PolarHBondContact O-N 3.42Å |
| 91 | Y | 86.4 | Confident | 75.5 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.9 | 176.3 | -61.8 | -96.9 | 0 | 0 | 0 | 110.7 | F54 K78 I79 L81 L89 I115 F116 L117 | F54-Y91 HydrophobicContact CD1-CE1 4.41Å; F54-Y91 HydrophobicContact CE1-CD1 4.32Å; F54-Y91 AromaticContact CE1-CE1 3.49Å; F54-Y91 HydrophobicContact CE1-CE1 3.49Å; F54-Y91 VanDerWaalsContact CE1-CE1 3.49Å; F54-Y91 AromaticContact CE1-CZ 3.65Å; F54-Y91 HydrophobicContact CE2-CE1 4.49Å; F54-Y91 HydrophobicContact CZ-CD1 4.46Å; F54-Y91 AromaticContact CZ-CE1 3.55Å; F54-Y91 HydrophobicContact CZ-CE1 3.55Å; K78-Y91 CarbonylContact C-O 3.58Å; K78-Y91 WeakPolarHBondContact CA-O 3.33Å; K78-Y91 WeakPolarHBondContact CB-O 3.29Å; I79-Y91 PolarHBondContact N-O 2.96Å; I79-Y91 PolarHBondContact O-N 2.7Å; L81-Y91 HydrophobicContact CD1-CD2 4.28Å; L81-Y91 HydrophobicContact CD1-CE2 3.62Å; L81-Y91 HydrophobicContact CG-CD2 4.24Å; L81-Y91 HydrophobicContact CG-CE2 3.96Å; L89-Y91 HydrophobicContact CB-CD2 4.37Å; L89-Y91 HydrophobicContact CB-CE2 3.57Å; L89-Y91 WeakPolarHBondContact O-CD2 3.45Å; Y91-I115 HydrophobicContact CD1-CG2 3.89Å; Y91-I115 HydrophobicContact CG-CG2 4.12Å; Y91-F116 CarbonylContact C-O 3.52Å; Y91-F116 WeakPolarHBondContact CA-O 3.29Å; Y91-L117 HydrophobicContact CD1-CB 3.95Å; Y91-L117 HydrophobicContact CD1-CD1 4.09Å; Y91-L117 HydrophobicContact CD2-CD1 4.24Å; Y91-L117 HydrophobicContact CE1-CB 3.8Å; Y91-L117 HydrophobicContact CE1-CD1 3.76Å; Y91-L117 HydrophobicContact CE1-CG 4.37Å; Y91-L117 HydrophobicContact CE2-CD1 3.92Å; Y91-L117 HydrophobicContact CG-CD1 4.32Å |
| 92 | S | 85.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.8 | 162.9 | -131 | 0 | 0 | 0 | 0 | 110 | S77 I115 F116 | S77-S92 WeakPolarHBondContact O-CA 3.26Å; S77-S92 PolarHBondContact O-OG 3.29Å; S92-I115 WeakPolarHBondContact O-CA 3.21Å; S92-F116 PolarHBondContact N-O 3.04Å; S92-F116 PolarHBondContact O-N 3.09Å |
| 93 | I | 77.7 | Confident | 72.6 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.072 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.5 | 171.9 | -58.9 | 160.8 | 0 | 0 | 0 | 108.5 | I33 I42 L72 S76 S77 I79 L96 I113 | I33-I93 HydrophobicContact CD1-CD1 4.28Å; I42-I93 HydrophobicContact CD1-CD1 3.8Å; I42-I93 HydrophobicContact CD1-CG1 4.02Å; I42-I93 HydrophobicContact CD1-CG2 4.2Å; L72-I93 HydrophobicContact CD1-CD1 4.16Å; S76-I93 WeakPolarHBondContact O-CD1 3.34Å; S77-I93 PolarHBondContact O-N 3.28Å; I79-I93 HydrophobicContact CD1-CD1 3.84Å; I79-I93 HydrophobicContact CD1-CG1 3.89Å; I79-I93 HydrophobicContact CG1-CD1 3.51Å; I79-I93 HydrophobicContact CG1-CG1 3.8Å; I93-L96 HydrophobicContact CB-CD1 4.35Å; I93-L96 HydrophobicContact CD1-CD1 4.41Å; I93-L96 HydrophobicContact CG2-CD1 3.72Å; I93-L96 HydrophobicContact CG2-CG 3.74Å; I93-I113 HydrophobicContact CG2-CG2 3.51Å |
| 94 | G | 67.7 | Low | 70.8 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 120.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L96 E114 | G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 2.84Å; G94-L96 VanDerWaalsContact O-N 3.07Å; G94-E114 PolarHBondContact N-O 3.02Å |
| 95 | N | 64.2 | Low | 69.1 | Low | 126 Ų | 126 | 44.9 Ų | 44.9 | 67% | 0.674 | 25% | 0.253 | S | S | * | . | trans | 54.8 | 29.8 | 155.9 | -142.9 | 30.3 | 0 | 0 | 0 | 118.1 | Q97 S98 | N95-Q97 VanDerWaalsContact C-N 3.29Å; N95-Q97 PolarHBondContact O-N 3.34Å; N95-Q97 VanDerWaalsContact O-N 3.1Å; N95-S98 PolarHBondContact ND2-OG 3.43Å; N95-S98 PolarHBondContact O-N 2.88Å; N95-S98 VanDerWaalsContact O-N 3.11Å; N95-S98 PolarHBondContact O-OG 3.35Å | ||
| 96 | L | 61.3 | Low | 67.5 | Low | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -36.3 | -53.3 | -179.6 | -96 | 163.1 | 0 | 0 | 0 | 114.5 | T31 I51 S76 I93 G94 S98 V99 C100 I113 | T31-L96 HydrophobicContact CG2-CD2 4.21Å; I51-L96 HydrophobicContact CD1-CD2 4.19Å; S76-L96 WeakPolarHBondContact O-CD1 3.35Å; I93-L96 HydrophobicContact CB-CD1 4.35Å; I93-L96 HydrophobicContact CD1-CD1 4.41Å; I93-L96 HydrophobicContact CG2-CD1 3.72Å; I93-L96 HydrophobicContact CG2-CG 3.74Å; G94-L96 VanDerWaalsContact C-N 3.32Å; G94-L96 PolarHBondContact O-N 2.84Å; G94-L96 VanDerWaalsContact O-N 3.07Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.44Å; L96-V99 WeakPolarHBondContact O-CA 3.44Å; L96-V99 WeakPolarHBondContact O-CB 3.46Å; L96-V99 PolarHBondContact O-N 2.87Å; L96-C100 PolarHBondContact O-N 2.95Å; L96-C100 PolarHBondContact O-SG 3.05Å; L96-C100 VanDerWaalsContact O-SG 3.33Å; L96-I113 HydrophobicContact CD2-CD1 3.64Å; L96-I113 HydrophobicContact CG-CD1 4.24Å |
| 97 | Q | 60.9 | Low | 66.1 | Low | 136 Ų | 136 | 53 Ų | 53 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.3 | -39.2 | -172.6 | -168.8 | 169.3 | -6.5 | 0 | 0 | 113 | N95 V99 C100 E101 | N95-Q97 VanDerWaalsContact C-N 3.29Å; N95-Q97 PolarHBondContact O-N 3.34Å; N95-Q97 VanDerWaalsContact O-N 3.1Å; Q97-V99 VanDerWaalsContact C-N 3.28Å; Q97-V99 PolarHBondContact O-N 3.1Å; Q97-C100 PolarHBondContact O-N 3.28Å; Q97-E101 WeakPolarHBondContact O-CG 3.41Å; Q97-E101 PolarHBondContact O-N 3.44Å |
| 98 | S | 55.4 | Low | 64.4 | Low | 51 Ų | 51 | 55.2 Ų | 55.2 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -28.5 | 176.5 | 68.7 | 0 | 0 | 0 | 0 | 113.7 | N95 L96 S102 | N95-S98 PolarHBondContact ND2-OG 3.43Å; N95-S98 PolarHBondContact O-N 2.88Å; N95-S98 VanDerWaalsContact O-N 3.11Å; N95-S98 PolarHBondContact O-OG 3.35Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.44Å; S98-S102 PolarHBondContact O-N 3.14Å |
| 99 | V | 56 | Low | 62.6 | Low | 24 Ų | 24 | 56.3 Ų | 56.3 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.8 | -41.1 | 176.2 | -176 | 0 | 0 | 0 | 0 | 109.9 | I51 L96 Q97 E101 S102 L103 I113 | I51-V99 HydrophobicContact CG2-CG1 3.7Å; L96-V99 WeakPolarHBondContact O-CA 3.44Å; L96-V99 WeakPolarHBondContact O-CB 3.46Å; L96-V99 PolarHBondContact O-N 2.87Å; Q97-V99 VanDerWaalsContact C-N 3.28Å; Q97-V99 PolarHBondContact O-N 3.1Å; V99-E101 VanDerWaalsContact C-N 3.31Å; V99-E101 PolarHBondContact O-N 3.36Å; V99-S102 PolarHBondContact O-N 3.41Å; V99-S102 VanDerWaalsContact O-N 3.07Å; V99-S102 PolarHBondContact O-OG 3.21Å; V99-L103 PolarHBondContact O-N 3.06Å; V99-I113 HydrophobicContact CB-CD1 4.36Å; V99-I113 HydrophobicContact CB-CG1 4.5Å; V99-I113 HydrophobicContact CG1-CD1 4.45Å; V99-I113 HydrophobicContact CG2-CD1 4.28Å; V99-I113 HydrophobicContact CG2-CG1 3.94Å |
| 100 | C | 56.4 | Low | 60.8 | Low | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | H44 L96 Q97 S102 | H44-C100 VanDerWaalsContact CD2-SG 3.55Å; H44-C100 PolarHBondContact NE2-SG 3.18Å; H44-C100 VanDerWaalsContact NE2-SG 3.4Å; L96-C100 PolarHBondContact O-N 2.95Å; L96-C100 PolarHBondContact O-SG 3.05Å; L96-C100 VanDerWaalsContact O-SG 3.33Å; Q97-C100 PolarHBondContact O-N 3.28Å; C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 2.89Å |
| 101 | E | 59.1 | Low | 59.3 | Low | 139 Ų | 139 | 63.4 Ų | 63.4 | 65% | 0.65 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.1 | -25.8 | 174.3 | -72.7 | 172.5 | -166.2 | 0 | 0 | 113.2 | Q97 V99 | Q97-E101 WeakPolarHBondContact O-CG 3.41Å; Q97-E101 PolarHBondContact O-N 3.44Å; V99-E101 VanDerWaalsContact C-N 3.31Å; V99-E101 PolarHBondContact O-N 3.36Å |
| 102 | S | 54.6 | Low | 57.8 | Low | 79 Ų | 79 | 65.8 Ų | 65.8 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -81 | -12.9 | 179.2 | 74.9 | 0 | 0 | 0 | 0 | 114.7 | S98 V99 C100 D104 | S98-S102 PolarHBondContact O-N 3.14Å; V99-S102 PolarHBondContact O-N 3.41Å; V99-S102 VanDerWaalsContact O-N 3.07Å; V99-S102 PolarHBondContact O-OG 3.21Å; C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 2.89Å; S102-D104 VanDerWaalsContact C-N 3.3Å; S102-D104 PolarHBondContact O-N 2.92Å |
| 103 | L | 57.6 | Low | 56.9 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.1 | -172.1 | -88.3 | 161.1 | 0 | 0 | 0 | 115.2 | F47 V99 S105 P109 | F47-L103 HydrophobicContact CD2-CB 4.09Å; F47-L103 HydrophobicContact CD2-CD1 3.93Å; F47-L103 HydrophobicContact CD2-CG 4.48Å; F47-L103 HydrophobicContact CE1-CB 4.37Å; F47-L103 HydrophobicContact CE2-CB 3.55Å; F47-L103 HydrophobicContact CE2-CD1 4.02Å; F47-L103 HydrophobicContact CE2-CG 4.35Å; F47-L103 HydrophobicContact CZ-CB 3.7Å; V99-L103 PolarHBondContact O-N 3.06Å; L103-S105 PolarHBondContact O-N 3.18Å; L103-P109 HydrophobicContact CD2-CB 4.02Å; L103-P109 HydrophobicContact CD2-CG 3.82Å |
| 104 | D | 51.4 | Low | 56.4 | Low | 84 Ų | 84 | 67.3 Ų | 67.3 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -79 | 23.7 | -171.3 | -116.4 | 35.7 | 0 | 0 | 0 | 114.6 | S102 N455 | S102-D104 VanDerWaalsContact C-N 3.3Å; S102-D104 PolarHBondContact O-N 2.92Å; D104-N455 VanDerWaalsContact CG-ND2 3.33Å; D104-N455 PolarHBondContact OD1-ND2 2.79Å; D104-N455 PolarHBondContact OD2-ND2 2.95Å |
| 105 | S | 46.8 | Very low | 56.6 | Low | 78 Ų | 78 | 67.2 Ų | 67.2 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -148.1 | 158.7 | 173.2 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | L103 S107 | L103-S105 PolarHBondContact O-N 3.18Å; S105-S107 PolarHBondContact O-N 2.95Å |
| 106 | D | 49.5 | Very low | 57.3 | Low | 179 Ų | 179 | 65.7 Ų | 65.7 | 96% | 0.957 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -66.6 | 19.3 | -164.3 | -53.7 | -70.8 | 0 | 0 | 0 | 117.1 | ||
| 107 | S | 49.9 | Very low | 58.3 | Low | 75 Ų | 75 | 69 Ų | 69 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -88 | 130.5 | 174.6 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | S105 | S105-S107 PolarHBondContact O-N 2.95Š|
| 108 | V | 51 | Low | 59.2 | Low | 47 Ų | 47 | 66.8 Ų | 66.8 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.9 | 170.9 | 167.8 | 0 | 0 | 0 | 0 | 111 | N110 L1454 D1455 | V108-N110 PolarHBondContact O-N 2.98Å; V108-L1454 HydrophobicContact CG2-CB 4.46Å; V108-L1454 HydrophobicContact CG2-CD1 3.29Å; V108-L1454 HydrophobicContact CG2-CD2 3.57Å; V108-L1454 HydrophobicContact CG2-CG 3.92Å; V108-D1455 VanDerWaalsContact CB-OD1 3.3Å; V108-D1455 WeakPolarHBondContact CB-OD1 3.48Å; V108-D1455 WeakPolarHBondContact CG1-OD1 3.23Å; V108-D1455 WeakPolarHBondContact CG2-OD1 3.46Å |
| 109 | P | 49.6 | Very low | 60.5 | Low | 24 Ų | 24 | 68.4 Ų | 68.4 | 16% | 0.156 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 126.3 | 171.8 | 28.9 | -33.8 | 0 | 0 | 0 | 110.3 | C49 L103 | C49-P109 HydrophobicContact CB-CG 4.31Å; L103-P109 HydrophobicContact CD2-CB 4.02Å; L103-P109 HydrophobicContact CD2-CG 3.82Å |
| 110 | N | 49.6 | Very low | 61.9 | Low | 83 Ų | 83 | 70.2 Ų | 70.2 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 126.1 | 158.7 | -76.8 | -98.6 | 0 | 0 | 0 | 107.4 | V108 S112 | V108-N110 PolarHBondContact O-N 2.98Å; N110-S112 WeakPolarHBondContact O-CB 3.32Å; N110-S112 PolarHBondContact O-N 3.41Å; N110-S112 PolarHBondContact O-OG 2.91Å |
| 111 | P | 54.1 | Low | 63.2 | Low | 69 Ų | 69 | 69.8 Ų | 69.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | trans | -65.9 | 104 | -175.5 | 25 | -33.6 | 0 | 0 | 0 | 110.3 | I51 | I51-P111 VanDerWaalsContact O-CA 3.23Å; I51-P111 WeakPolarHBondContact O-CA 3.41Å; I51-P111 WeakPolarHBondContact O-CB 3.33Å | ||
| 112 | S | 55.8 | Low | 64.4 | Low | 59 Ų | 59 | 69.8 Ų | 69.8 | 41% | 0.413 | 39% | 0.386 | S | S | . | . | trans | -127.9 | 1.4 | -164.4 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | N110 E114 T1461 | N110-S112 WeakPolarHBondContact O-CB 3.32Å; N110-S112 PolarHBondContact O-N 3.41Å; N110-S112 PolarHBondContact O-OG 2.91Å; S112-E114 PolarHBondContact O-N 2.83Å; S112-T1461 VanDerWaalsContact O-CG2 3.28Å; S112-T1461 WeakPolarHBondContact O-CG2 3.48Å | ||
| 113 | I | 66.4 | Low | 65.6 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | trans | -67.8 | 118.2 | 173.8 | -69.2 | 179 | 0 | 0 | 0 | 109.5 | I51 A52 I93 L96 V99 I115 | I51-I113 HydrophobicContact CB-CD1 3.94Å; I51-I113 HydrophobicContact CG2-CD1 3.66Å; I51-I113 HydrophobicContact CG2-CG1 4.41Å; A52-I113 HydrophobicContact CB-CB 3.95Å; A52-I113 HydrophobicContact CB-CG2 4.25Å; I93-I113 HydrophobicContact CG2-CG2 3.51Å; L96-I113 HydrophobicContact CD2-CD1 3.64Å; L96-I113 HydrophobicContact CG-CD1 4.24Å; V99-I113 HydrophobicContact CB-CD1 4.36Å; V99-I113 HydrophobicContact CB-CG1 4.5Å; V99-I113 HydrophobicContact CG1-CD1 4.45Å; V99-I113 HydrophobicContact CG2-CD1 4.28Å; V99-I113 HydrophobicContact CG2-CG1 3.94Å; I113-I115 HydrophobicContact CG2-CG1 4.37Å | ||
| 114 | E | 66.6 | Low | 66.4 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | trans | -77.7 | 128.6 | 176.8 | -57.5 | -173.4 | 125.3 | 0 | 0 | 110.2 | G94 S112 F116 P1462 | G94-E114 PolarHBondContact N-O 3.02Å; S112-E114 PolarHBondContact O-N 2.83Å; E114-F116 HydrophobicContact CB-CD2 4.4Å; E114-F116 HydrophobicContact CB-CE1 4.4Å; E114-F116 HydrophobicContact CB-CE2 3.48Å; E114-F116 VanDerWaalsContact CB-CE2 3.48Å; E114-F116 HydrophobicContact CB-CZ 3.48Å; E114-F116 VanDerWaalsContact CB-CZ 3.48Å; E114-F116 HydrophobicContact CG-CZ 4.31Å; E114-P1462 VanDerWaalsContact OE1-CB 3.23Å; E114-P1462 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 115 | I | 72.5 | Confident | 67.6 | Low | 24 Ų | 24 | 70 Ų | 70 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.5 | -179.7 | -60.2 | 178.9 | 0 | 0 | 0 | 108.4 | I42 A52 F54 Y91 S92 I113 | I42-I115 HydrophobicContact CD1-CD1 3.8Å; I42-I115 HydrophobicContact CG1-CD1 4.42Å; A52-I115 HydrophobicContact CB-CD1 3.98Å; F54-I115 HydrophobicContact CB-CD1 4.09Å; Y91-I115 HydrophobicContact CD1-CG2 3.89Å; Y91-I115 HydrophobicContact CG-CG2 4.12Å; S92-I115 WeakPolarHBondContact O-CA 3.21Å; I113-I115 HydrophobicContact CG2-CG1 4.37Å |
| 116 | F | 79.1 | Confident | 69 | Low | 93 Ų | 93 | 67.2 Ų | 67.2 | 41% | 0.408 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.1 | -172 | -60.4 | -80.4 | 0 | 0 | 0 | 111.4 | Y91 S92 E114 L118 I1464 | Y91-F116 CarbonylContact C-O 3.52Å; Y91-F116 WeakPolarHBondContact CA-O 3.29Å; S92-F116 PolarHBondContact N-O 3.04Å; S92-F116 PolarHBondContact O-N 3.09Å; E114-F116 HydrophobicContact CB-CD2 4.4Å; E114-F116 HydrophobicContact CB-CE1 4.4Å; E114-F116 HydrophobicContact CB-CE2 3.48Å; E114-F116 VanDerWaalsContact CB-CE2 3.48Å; E114-F116 HydrophobicContact CB-CZ 3.48Å; E114-F116 VanDerWaalsContact CB-CZ 3.48Å; E114-F116 HydrophobicContact CG-CZ 4.31Å; F116-L118 PolarHBondContact O-N 3.43Å; F116-I1464 HydrophobicContact CE2-CD1 4.42Å; F116-I1464 HydrophobicContact CZ-CD1 3.82Å; F116-I1464 HydrophobicContact CZ-CG1 4.45Å |
| 117 | L | 81 | Confident | 70.3 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 110.6 | 171.5 | -177.1 | 73 | 0 | 0 | 0 | 109.5 | L89 Y91 | L89-L117 HydrophobicContact CB-CD1 3.89Å; L89-L117 HydrophobicContact CD2-CD1 4.19Å; Y91-L117 HydrophobicContact CD1-CB 3.95Å; Y91-L117 HydrophobicContact CD1-CD1 4.09Å; Y91-L117 HydrophobicContact CD2-CD1 4.24Å; Y91-L117 HydrophobicContact CE1-CB 3.8Å; Y91-L117 HydrophobicContact CE1-CD1 3.76Å; Y91-L117 HydrophobicContact CE1-CG 4.37Å; Y91-L117 HydrophobicContact CE2-CD1 3.92Å; Y91-L117 HydrophobicContact CG-CD1 4.32Å |
| 118 | L | 81.1 | Confident | 71.5 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -43.1 | 174.3 | -68.9 | 172.5 | 0 | 0 | 0 | 111.3 | K78 I90 F116 | K78-L118 HydrophobicContact CD-CD1 3.9Å; K78-L118 HydrophobicContact CG-CD1 4.05Å; I90-L118 HydrophobicContact CG2-CB 4.49Å; I90-L118 HydrophobicContact CG2-CD1 4.25Å; I90-L118 WeakPolarHBondContact O-CB 3.27Å; I90-L118 PolarHBondContact O-N 3.33Å; F116-L118 PolarHBondContact O-N 3.43Å |
| 119 | K | 82.9 | Confident | 72.6 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 145.7 | -172 | -147.7 | 174.3 | -170.6 | -179.2 | 0 | 113.1 | I90 V121 D152 G153 | I90-K119 PolarHBondContact N-O 3.27Å; I90-K119 PolarHBondContact O-N 3.42Å; K119-V121 HydrophobicContact CD-CG2 3.87Å; K119-V121 HydrophobicContact CG-CG2 4.04Å; K119-D152 WeakPolarHBondContact CD-O 3.38Å; K119-D152 PolarHBondContact NZ-O 3.27Å; K119-G153 PolarHBondContact NZ-O 3.2Å |
| 120 | S | 84.8 | Confident | 73.9 | Confident | 62 Ų | 62 | 58.8 Ų | 58.8 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.4 | 160.9 | -178.1 | 0 | 0 | 0 | 0 | 109 | T87 L88 | T87-S120 WeakPolarHBondContact CG2-OG 3.45Å; L88-S120 CarbonylContact O-C 3.52Å; L88-S120 WeakPolarHBondContact O-CA 3.34Å |
| 121 | V | 84.1 | Confident | 75 | Confident | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 113.3 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | L88 K119 V123 Y155 | L88-V121 PolarHBondContact N-O 2.98Å; L88-V121 PolarHBondContact O-N 3.34Å; K119-V121 HydrophobicContact CD-CG2 3.87Å; K119-V121 HydrophobicContact CG-CG2 4.04Å; V121-V123 HydrophobicContact CG1-CG2 4.04Å; V121-Y155 HydrophobicContact CG1-CE2 4.26Å |
| 122 | R | 83.7 | Confident | 76 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 53% | 0.525 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 106 | 177.6 | -169.9 | 162.8 | 179.8 | -157.9 | -5.8 | 109.4 | T87 E125 | T87-R122 HydrophobicContact CG2-CB 4.36Å; T87-R122 WeakPolarHBondContact OG1-CG 3.22Å; R122-E125 IonicContact CZ-OE1 3.58Å; R122-E125 IonicContact NH2-OE1 3.49Å; R122-E125 PolarHBondContact NH2-OE1 3.42Å |
| 123 | V | 80.2 | Confident | 76.7 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | trans | -89.4 | -37 | -174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | G86 L88 V121 V139 V147 L149 | G86-V123 PolarHBondContact O-N 3Å; L88-V123 HydrophobicContact CD1-CG2 3.57Å; L88-V123 HydrophobicContact CG-CG2 4.13Å; V121-V123 HydrophobicContact CG1-CG2 4.04Å; V123-V139 HydrophobicContact CB-CG1 4.49Å; V123-V139 HydrophobicContact CG1-CG1 4.16Å; V123-V147 HydrophobicContact CG1-CB 4.09Å; V123-V147 HydrophobicContact CG1-CG1 4.32Å; V123-V147 HydrophobicContact CG1-CG2 3.78Å; V123-L149 HydrophobicContact CG2-CD1 4.22Å | ||
| 124 | A | 73.4 | Confident | 76.9 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | trans | -145.4 | -172.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K85 G86 | K85-A124 VanDerWaalsContact O-O 3.1Å; G86-A124 PolarHBondContact O-N 3.44Å | ||
| 125 | E | 76.3 | Confident | 77.2 | Confident | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -124.7 | 36.9 | 171.8 | -57.7 | -164.9 | 117.3 | 0 | 0 | 110.5 | R122 | R122-E125 IonicContact CZ-OE1 3.58Å; R122-E125 IonicContact NH2-OE1 3.49Å; R122-E125 PolarHBondContact NH2-OE1 3.42Å |
| 126 | C | 78.1 | Confident | 77.4 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -149.3 | 172 | 179.4 | 56.5 | 0 | 0 | 0 | 0 | 108.3 | E84 G86 E142 | E84-C126 CarbonylContact O-C 3.52Å; G86-C126 WeakPolarHBondContact CA-O 3.38Å; G86-C126 PolarHBondContact N-O 2.86Å; G86-C126 VanDerWaalsContact N-O 3.09Å; C126-E142 HydrophobicContact CB-CB 4.15Å; C126-E142 WeakPolarHBondContact CB-OE2 3.24Å |
| 127 | K | 75.2 | Confident | 77.4 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | trans | -61.7 | 145.8 | 178 | -152.1 | 176.6 | 179.7 | 175.9 | 0 | 108.8 | E84 E142 | E84-K127 PolarHBondContact O-N 3.33Å; K127-E142 HydrophobicContact CB-CG 4.08Å; K127-E142 VanDerWaalsContact CB-OE1 3.24Å; K127-E142 WeakPolarHBondContact CB-OE1 3.45Å; K127-E142 VanDerWaalsContact CB-OE2 3.31Å; K127-E142 WeakPolarHBondContact CB-OE2 3.27Å; K127-E142 PolarHBondContact N-OE2 3.3Å; K127-E142 WeakPolarHBondContact O-CG 3.43Å; K127-E142 PolarHBondContact O-N 3.18Å | ||
| 128 | C | 76 | Confident | 77.4 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140.5 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 109.2 | C82 V139 A140 | C82-C128 PolarHBondContact SG-O 3.36Å; C82-C128 VanDerWaalsContact SG-O 3.38Å; C128-V139 HydrophobicContact CB-CG1 3.81Å; C128-A140 CarbonylContact C-O 3.53Å; C128-A140 VanDerWaalsContact CA-O 3.23Å; C128-A140 WeakPolarHBondContact CA-O 3.31Å |
| 129 | S | 75 | Confident | 77.5 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.3 | 167.5 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | F131 V139 A140 C184 | S129-F131 WeakPolarHBondContact OG-CE2 3.5Å; S129-F131 VanDerWaalsContact OG-CZ 3.25Å; S129-F131 WeakPolarHBondContact OG-CZ 3.42Å; S129-V139 CarbonylContact O-C 3.59Å; S129-V139 WeakPolarHBondContact O-CA 3.48Å; S129-A140 PolarHBondContact N-O 2.87Å; S129-A140 PolarHBondContact O-N 3.14Å; S129-C184 PolarHBondContact OG-O 3.47Å |
| 130 | V | 75.7 | Confident | 77.5 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134.3 | -167.3 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | V71 L80 C82 L88 V137 I138 V139 | V71-V130 HydrophobicContact CG2-CB 4.24Å; V71-V130 HydrophobicContact CG2-CG1 3.96Å; L80-V130 HydrophobicContact CD2-CG1 3.88Å; C82-V130 HydrophobicContact CB-CG2 3.71Å; L88-V130 HydrophobicContact CD2-CG2 3.93Å; V130-V137 HydrophobicContact CG1-CG1 3.33Å; V130-I138 WeakPolarHBondContact CA-O 3.49Å; V130-V139 HydrophobicContact CG1-CG2 4.2Å; V130-V139 HydrophobicContact CG2-CG1 4.25Å; V130-V139 HydrophobicContact CG2-CG2 4.26Å |
| 131 | F | 73.9 | Confident | 77.4 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.105 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 130.2 | -166.3 | -47.2 | -71 | 0 | 0 | 0 | 110.9 | S129 L133 V137 I138 A140 V187 | S129-F131 WeakPolarHBondContact OG-CE2 3.5Å; S129-F131 VanDerWaalsContact OG-CZ 3.25Å; S129-F131 WeakPolarHBondContact OG-CZ 3.42Å; F131-L133 HydrophobicContact CB-CD1 4.45Å; F131-V137 WeakPolarHBondContact O-CA 3.46Å; F131-V137 WeakPolarHBondContact O-CG1 3.32Å; F131-I138 HydrophobicContact CD2-CG2 4.27Å; F131-I138 WeakPolarHBondContact CD2-O 3.41Å; F131-I138 PolarHBondContact N-O 2.9Å; F131-I138 PolarHBondContact O-N 3.47Å; F131-A140 HydrophobicContact CE2-CB 4.13Å; F131-V187 HydrophobicContact CD1-CB 4.03Å; F131-V187 WeakPolarHBondContact CD1-O 3.44Å; F131-V187 HydrophobicContact CD2-CB 3.7Å; F131-V187 HydrophobicContact CD2-CG2 3.97Å; F131-V187 HydrophobicContact CE1-CB 4.08Å; F131-V187 HydrophobicContact CE1-CG2 4.48Å; F131-V187 HydrophobicContact CE2-CB 3.73Å; F131-V187 HydrophobicContact CE2-CG2 3.55Å; F131-V187 HydrophobicContact CG-CB 3.83Å; F131-V187 HydrophobicContact CZ-CB 3.9Å; F131-V187 HydrophobicContact CZ-CG2 3.82Å; F131-V187 VanDerWaalsContact CZ-N 3.33Å |
| 132 | S | 74.5 | Confident | 77.2 | Confident | 42 Ų | 42 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.1 | 175.1 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 133 | L | 69.8 | Low | 76.8 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 59.4 | 168.8 | -71.7 | 100.8 | 0 | 0 | 0 | 109.1 | F131 E135 T136 I138 W189 | F131-L133 HydrophobicContact CB-CD1 4.45Å; L133-E135 PolarHBondContact O-N 3.27Å; L133-T136 CarbonylContact C-O 3.55Å; L133-T136 VanDerWaalsContact C-O 3.24Å; L133-T136 VanDerWaalsContact CA-O 3.3Å; L133-T136 WeakPolarHBondContact CA-O 3.37Å; L133-T136 PolarHBondContact N-O 3.43Å; L133-T136 PolarHBondContact O-N 3.27Å; L133-T136 PolarHBondContact O-OG1 3.01Å; L133-I138 HydrophobicContact CD1-CB 3.82Å; L133-I138 HydrophobicContact CD1-CD1 3.78Å; L133-I138 HydrophobicContact CD1-CG1 3.75Å; L133-I138 HydrophobicContact CD2-CD1 4.21Å; L133-W189 HydrophobicContact CD2-CB 4.24Å; L133-W189 HydrophobicContact CD2-CD2 3.55Å; L133-W189 HydrophobicContact CD2-CE3 3.42Å; L133-W189 VanDerWaalsContact CD2-CE3 3.42Å; L133-W189 HydrophobicContact CD2-CG 3.9Å; L133-W189 HydrophobicContact CD2-CZ3 4.02Å; L133-W189 HydrophobicContact CG-CB 4.23Å; L133-W189 HydrophobicContact CG-CD2 4.38Å; L133-W189 HydrophobicContact CG-CG 4.22Å |
| 134 | G | 70.5 | Confident | 76.5 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | -102 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T136 W151 | G134-T136 VanDerWaalsContact C-N 3.32Å; G134-W151 PolarHBondContact O-NE1 3.38Å |
| 135 | E | 72.6 | Confident | 76.7 | Confident | 103 Ų | 103 | 37.9 Ų | 37.9 | 48% | 0.481 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.6 | 176 | -76.3 | -55 | 133 | 0 | 0 | 114.9 | K73 W74 L133 | K73-E135 WeakPolarHBondContact CE-OE1 3.28Å; K73-E135 WeakPolarHBondContact CE-OE2 3.45Å; K73-E135 IonicContact NZ-OE1 3.19Å; K73-E135 PolarHBondContact NZ-OE1 3.47Å; K73-E135 IonicContact NZ-OE2 2.62Å; W74-E135 WeakPolarHBondContact CZ2-OE1 3.44Å; W74-E135 PolarHBondContact NE1-OE1 3.15Å; L133-E135 PolarHBondContact O-N 3.27Å |
| 136 | T | 76.5 | Confident | 76.8 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 162.5 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | L133 G134 K148 L149 R150 | L133-T136 CarbonylContact C-O 3.55Å; L133-T136 VanDerWaalsContact C-O 3.24Å; L133-T136 VanDerWaalsContact CA-O 3.3Å; L133-T136 WeakPolarHBondContact CA-O 3.37Å; L133-T136 PolarHBondContact N-O 3.43Å; L133-T136 PolarHBondContact O-N 3.27Å; L133-T136 PolarHBondContact O-OG1 3.01Å; G134-T136 VanDerWaalsContact C-N 3.32Å; T136-K148 WeakPolarHBondContact OG1-CE 3.29Å; T136-L149 CarbonylContact C-O 3.6Å; T136-L149 WeakPolarHBondContact CA-O 3.28Å; T136-L149 WeakPolarHBondContact CB-O 3.43Å; T136-R150 HydrophobicContact CG2-CG 4.23Å |
| 137 | V | 81 | Confident | 76.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.6 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | L80 V130 F131 V139 L149 W151 | L80-V137 HydrophobicContact CD1-CB 4.44Å; L80-V137 HydrophobicContact CD1-CG1 4Å; L80-V137 HydrophobicContact CD1-CG2 4.12Å; V130-V137 HydrophobicContact CG1-CG1 3.33Å; F131-V137 WeakPolarHBondContact O-CA 3.46Å; F131-V137 WeakPolarHBondContact O-CG1 3.32Å; V137-V139 HydrophobicContact CG1-CG2 4.14Å; V137-L149 PolarHBondContact N-O 3.44Å; V137-L149 PolarHBondContact O-N 3.13Å; V137-W151 HydrophobicContact CG2-CD2 3.96Å; V137-W151 HydrophobicContact CG2-CE3 4.38Å; V137-W151 HydrophobicContact CG2-CH2 4.15Å; V137-W151 HydrophobicContact CG2-CZ2 3.69Å; V137-W151 HydrophobicContact CG2-CZ3 4.48Å |
| 138 | I | 80.7 | Confident | 77.1 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 139.6 | 167.4 | -74.7 | 172.9 | 0 | 0 | 0 | 109 | V130 F131 L133 L146 K148 | V130-I138 WeakPolarHBondContact CA-O 3.49Å; F131-I138 HydrophobicContact CD2-CG2 4.27Å; F131-I138 WeakPolarHBondContact CD2-O 3.41Å; F131-I138 PolarHBondContact N-O 2.9Å; F131-I138 PolarHBondContact O-N 3.47Å; L133-I138 HydrophobicContact CD1-CB 3.82Å; L133-I138 HydrophobicContact CD1-CD1 3.78Å; L133-I138 HydrophobicContact CD1-CG1 3.75Å; L133-I138 HydrophobicContact CD2-CD1 4.21Å; I138-L146 HydrophobicContact CG2-CD2 3.97Å; I138-K148 HydrophobicContact CG1-CB 4.23Å; I138-K148 HydrophobicContact CG1-CD 4.45Å; I138-K148 HydrophobicContact CG1-CG 4.01Å |
| 139 | V | 81.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.2 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | L88 V123 C128 S129 V130 V137 V147 L149 | L88-V139 HydrophobicContact CD1-CG1 4.3Å; L88-V139 HydrophobicContact CD1-CG2 3.67Å; L88-V139 HydrophobicContact CD2-CG1 4.49Å; V123-V139 HydrophobicContact CB-CG1 4.49Å; V123-V139 HydrophobicContact CG1-CG1 4.16Å; C128-V139 HydrophobicContact CB-CG1 3.81Å; S129-V139 CarbonylContact O-C 3.59Å; S129-V139 WeakPolarHBondContact O-CA 3.48Å; V130-V139 HydrophobicContact CG1-CG2 4.2Å; V130-V139 HydrophobicContact CG2-CG1 4.25Å; V130-V139 HydrophobicContact CG2-CG2 4.26Å; V137-V139 HydrophobicContact CG1-CG2 4.14Å; V139-V147 HydrophobicContact CB-CB 4.48Å; V139-V147 PolarHBondContact N-O 3.26Å; V139-V147 PolarHBondContact O-N 2.83Å; V139-L149 HydrophobicContact CG2-CD1 3.9Å; V139-L149 HydrophobicContact CG2-CG 4.43Å |
| 140 | A | 83.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | C128 S129 F131 D145 L146 C184 | C128-A140 CarbonylContact C-O 3.53Å; C128-A140 VanDerWaalsContact CA-O 3.23Å; C128-A140 WeakPolarHBondContact CA-O 3.31Å; S129-A140 PolarHBondContact N-O 2.87Å; S129-A140 PolarHBondContact O-N 3.14Å; F131-A140 HydrophobicContact CE2-CB 4.13Å; A140-D145 WeakPolarHBondContact CA-O 3.29Å; A140-L146 HydrophobicContact CB-CD2 3.61Å; A140-C184 HydrophobicContact CB-CB 3.87Å |
| 141 | S | 83.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 150.5 | 173.7 | 80.2 | 0 | 0 | 0 | 0 | 111 | K143 G144 D145 Y183 | S141-K143 PolarHBondContact O-N 2.84Å; S141-K143 PolarHBondContact OG-N 3.14Å; S141-G144 PolarHBondContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 3.36Å; S141-D145 PolarHBondContact N-O 3.48Å; S141-D145 WeakPolarHBondContact OG-CB 3.48Å; S141-D145 PolarHBondContact OG-N 3.48Å; S141-D145 PolarHBondContact OG-OD2 3.32Å; S141-Y183 WeakPolarHBondContact O-CB 3.47Å |
| 142 | E | 78.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 36 Ų | 36 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -12.9 | 167.2 | -75.9 | 170.9 | 151.5 | 0 | 0 | 113.8 | C126 K127 G144 Y183 | C126-E142 HydrophobicContact CB-CB 4.15Å; C126-E142 WeakPolarHBondContact CB-OE2 3.24Å; K127-E142 HydrophobicContact CB-CG 4.08Å; K127-E142 VanDerWaalsContact CB-OE1 3.24Å; K127-E142 WeakPolarHBondContact CB-OE1 3.45Å; K127-E142 VanDerWaalsContact CB-OE2 3.31Å; K127-E142 WeakPolarHBondContact CB-OE2 3.27Å; K127-E142 PolarHBondContact N-OE2 3.3Å; K127-E142 WeakPolarHBondContact O-CG 3.43Å; K127-E142 PolarHBondContact O-N 3.18Å; E142-G144 VanDerWaalsContact C-N 3.32Å; E142-Y183 HydrophobicContact CB-CD1 4.31Å; E142-Y183 HydrophobicContact CB-CG 4.47Å; E142-Y183 HydrophobicContact CG-CD1 4.4Å; E142-Y183 HydrophobicContact CG-CD2 4.44Å; E142-Y183 HydrophobicContact CG-CE1 4.35Å; E142-Y183 HydrophobicContact CG-CE2 4.39Å; E142-Y183 HydrophobicContact CG-CG 4.46Å |
| 143 | K | 76 | Confident | 78.7 | Confident | 92 Ų | 92 | 34.1 Ų | 34.1 | 40% | 0.4 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.9 | 175.2 | -61.5 | 175.4 | -174.2 | -179.8 | 0 | 113.2 | S141 | S141-K143 PolarHBondContact O-N 2.84Å; S141-K143 PolarHBondContact OG-N 3.14Å |
| 144 | G | 73.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 86.1 | 23.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S141 E142 L162 | S141-G144 PolarHBondContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 3.36Å; E142-G144 VanDerWaalsContact C-N 3.32Å; G144-L162 WeakPolarHBondContact O-CG 3.29Å; G144-L162 PolarHBondContact O-N 3.36Å |
| 145 | D | 77.9 | Confident | 79.6 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.9 | 173.2 | -49.3 | -67 | 0 | 0 | 0 | 110.4 | A140 S141 N161 | A140-D145 WeakPolarHBondContact CA-O 3.29Å; S141-D145 PolarHBondContact N-O 3.48Å; S141-D145 WeakPolarHBondContact OG-CB 3.48Å; S141-D145 PolarHBondContact OG-N 3.48Å; S141-D145 PolarHBondContact OG-OD2 3.32Å; D145-N161 PolarHBondContact OD1-ND2 3.13Å |
| 146 | L | 78.4 | Confident | 79.4 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.8 | 169.9 | -71.4 | 170.6 | 0 | 0 | 0 | 109.7 | I138 A140 I160 L162 | I138-L146 HydrophobicContact CG2-CD2 3.97Å; A140-L146 HydrophobicContact CB-CD2 3.61Å; L146-I160 HydrophobicContact CB-CB 4.43Å; L146-I160 WeakPolarHBondContact CB-O 3.03Å; L146-I160 PolarHBondContact N-O 3.12Å; L146-I160 PolarHBondContact O-N 3.49Å; L146-L162 HydrophobicContact CD1-CD2 3.66Å; L146-L162 HydrophobicContact CD1-CG 4.43Å; L146-L162 HydrophobicContact CG-CD2 4.27Å |
| 147 | V | 80.3 | Confident | 79 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.5 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | V123 V139 L149 Y155 | V123-V147 HydrophobicContact CG1-CB 4.09Å; V123-V147 HydrophobicContact CG1-CG1 4.32Å; V123-V147 HydrophobicContact CG1-CG2 3.78Å; V139-V147 HydrophobicContact CB-CB 4.48Å; V139-V147 PolarHBondContact N-O 3.26Å; V139-V147 PolarHBondContact O-N 2.83Å; V147-L149 HydrophobicContact CG1-CD2 3.82Å; V147-L149 HydrophobicContact CG1-CG 4.11Å; V147-Y155 HydrophobicContact CG1-CD1 3.62Å; V147-Y155 HydrophobicContact CG1-CE1 3.58Å |
| 148 | K | 78.6 | Confident | 78.1 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126 | 173 | -166 | 169.8 | -178.8 | 167.4 | 0 | 110 | T136 I138 Y156 | T136-K148 WeakPolarHBondContact OG1-CE 3.29Å; I138-K148 HydrophobicContact CG1-CB 4.23Å; I138-K148 HydrophobicContact CG1-CD 4.45Å; I138-K148 HydrophobicContact CG1-CG 4.01Å; K148-Y156 HydrophobicContact CD-CD1 4.09Å; K148-Y156 PolarHBondContact O-N 3.29Å |
| 149 | L | 83.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 165.3 | 179.5 | -60.8 | -179.6 | 0 | 0 | 0 | 111 | L88 V123 T136 V137 V139 V147 S154 Y155 | L88-L149 HydrophobicContact CD1-CD1 3.39Å; V123-L149 HydrophobicContact CG2-CD1 4.22Å; T136-L149 CarbonylContact C-O 3.6Å; T136-L149 WeakPolarHBondContact CA-O 3.28Å; T136-L149 WeakPolarHBondContact CB-O 3.43Å; V137-L149 PolarHBondContact N-O 3.44Å; V137-L149 PolarHBondContact O-N 3.13Å; V139-L149 HydrophobicContact CG2-CD1 3.9Å; V139-L149 HydrophobicContact CG2-CG 4.43Å; V147-L149 HydrophobicContact CG1-CD2 3.82Å; V147-L149 HydrophobicContact CG1-CG 4.11Å; L149-S154 CarbonylContact C-O 3.59Å; L149-S154 VanDerWaalsContact CA-O 3.3Å; L149-S154 WeakPolarHBondContact CA-O 3.46Å; L149-Y155 HydrophobicContact CD2-CD1 3.69Å; L149-Y155 HydrophobicContact CD2-CD2 4.23Å; L149-Y155 HydrophobicContact CD2-CE1 3.92Å; L149-Y155 HydrophobicContact CD2-CE2 4.41Å; L149-Y155 HydrophobicContact CD2-CG 3.86Å |
| 150 | R | 84.3 | Confident | 77.2 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 165.8 | 163 | -85 | 174.8 | 163.2 | 176.9 | -3.3 | 111 | T136 D152 G153 S154 Y156 | T136-R150 HydrophobicContact CG2-CG 4.23Å; R150-D152 WeakPolarHBondContact CB-OD1 3.48Å; R150-D152 PolarHBondContact O-N 3.24Å; R150-D152 VanDerWaalsContact O-N 3.11Å; R150-G153 WeakPolarHBondContact O-CA 3.32Å; R150-G153 PolarHBondContact O-N 3.42Å; R150-S154 PolarHBondContact N-O 2.9Å; R150-Y156 HydrophobicContact CG-CD2 4.41Å |
| 151 | W | 81.6 | Confident | 76.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -0.3 | 174.5 | -68 | 101.4 | 0 | 0 | 0 | 115.1 | V71 K73 K78 L80 G134 V137 | V71-W151 HydrophobicContact CB-CH2 4.33Å; V71-W151 HydrophobicContact CG1-CH2 3.92Å; V71-W151 HydrophobicContact CG1-CZ2 4.4Å; K73-W151 HydrophobicContact CB-CD2 3.98Å; K73-W151 HydrophobicContact CB-CE3 4.03Å; K73-W151 HydrophobicContact CB-CH2 3.92Å; K73-W151 HydrophobicContact CB-CZ2 3.86Å; K73-W151 HydrophobicContact CB-CZ3 3.99Å; K73-W151 HydrophobicContact CD-CB 4.17Å; K73-W151 HydrophobicContact CD-CD2 3.91Å; K73-W151 HydrophobicContact CD-CG 3.72Å; K73-W151 HydrophobicContact CG-CD2 3.98Å; K73-W151 HydrophobicContact CG-CG 4.23Å; K73-W151 HydrophobicContact CG-CZ2 4.15Å; K78-W151 HydrophobicContact CB-CE3 4.17Å; K78-W151 HydrophobicContact CD-CB 4.31Å; L80-W151 HydrophobicContact CB-CE3 4.39Å; L80-W151 HydrophobicContact CB-CH2 4.39Å; L80-W151 HydrophobicContact CB-CZ3 3.68Å; G134-W151 PolarHBondContact O-NE1 3.38Å; V137-W151 HydrophobicContact CG2-CD2 3.96Å; V137-W151 HydrophobicContact CG2-CE3 4.38Å; V137-W151 HydrophobicContact CG2-CH2 4.15Å; V137-W151 HydrophobicContact CG2-CZ2 3.69Å; V137-W151 HydrophobicContact CG2-CZ3 4.48Å |
| 152 | D | 82.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 4.1 | 165.9 | 62 | 10.3 | 0 | 0 | 0 | 112.5 | K119 R150 S154 | K119-D152 WeakPolarHBondContact CD-O 3.38Å; K119-D152 PolarHBondContact NZ-O 3.27Å; R150-D152 WeakPolarHBondContact CB-OD1 3.48Å; R150-D152 PolarHBondContact O-N 3.24Å; R150-D152 VanDerWaalsContact O-N 3.11Å; D152-S154 VanDerWaalsContact CG-OG 3.27Å; D152-S154 PolarHBondContact O-N 3.3Å; D152-S154 WeakPolarHBondContact OD1-CB 3.41Å; D152-S154 PolarHBondContact OD1-N 3Å; D152-S154 PolarHBondContact OD1-OG 2.93Å; D152-S154 PolarHBondContact OD2-OG 3.49Å |
| 153 | G | 76.2 | Confident | 75.4 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 58.6 | 30.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | K119 R150 | K119-G153 PolarHBondContact NZ-O 3.2Å; R150-G153 WeakPolarHBondContact O-CA 3.32Å; R150-G153 PolarHBondContact O-N 3.42Å |
| 154 | S | 82.9 | Confident | 74.6 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | trans | -86.8 | 150.5 | 164.3 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | L149 R150 D152 | L149-S154 CarbonylContact C-O 3.59Å; L149-S154 VanDerWaalsContact CA-O 3.3Å; L149-S154 WeakPolarHBondContact CA-O 3.46Å; R150-S154 PolarHBondContact N-O 2.9Å; D152-S154 VanDerWaalsContact CG-OG 3.27Å; D152-S154 PolarHBondContact O-N 3.3Å; D152-S154 WeakPolarHBondContact OD1-CB 3.41Å; D152-S154 PolarHBondContact OD1-N 3Å; D152-S154 PolarHBondContact OD1-OG 2.93Å; D152-S154 PolarHBondContact OD2-OG 3.49Å | ||
| 155 | Y | 77.4 | Confident | 74.1 | Confident | 127 Ų | 127 | 64.5 Ų | 64.5 | 50% | 0.498 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -82.2 | 134.7 | 177.5 | -68.3 | -103 | 0 | 0 | 0 | 110.1 | V121 V147 L149 | V121-Y155 HydrophobicContact CG1-CE2 4.26Å; V147-Y155 HydrophobicContact CG1-CD1 3.62Å; V147-Y155 HydrophobicContact CG1-CE1 3.58Å; L149-Y155 HydrophobicContact CD2-CD1 3.69Å; L149-Y155 HydrophobicContact CD2-CD2 4.23Å; L149-Y155 HydrophobicContact CD2-CE1 3.92Å; L149-Y155 HydrophobicContact CD2-CE2 4.41Å; L149-Y155 HydrophobicContact CD2-CG 3.86Å |
| 156 | Y | 68.6 | Low | 72.9 | Confident | 130 Ų | 130 | 69 Ų | 69 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | trans | -105.1 | 78.5 | 178.8 | -162.4 | -82.6 | 0 | 0 | 0 | 109.7 | K148 R150 | K148-Y156 HydrophobicContact CD-CD1 4.09Å; K148-Y156 PolarHBondContact O-N 3.29Å; R150-Y156 HydrophobicContact CG-CD2 4.41Å | ||
| 157 | G | 67 | Low | 71.8 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 90.3 | -170.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 158 | E | 63.3 | Low | 70.5 | Confident | 185 Ų | 185 | 70.4 Ų | 70.4 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | trans | -81.4 | 159.1 | 177.5 | -61.6 | -172.8 | 154.5 | 0 | 0 | 111.9 | I160 | E158-I160 PolarHBondContact O-N 3.21Š| ||
| 159 | S | 70.4 | Confident | 69.1 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | trans | -71.4 | 121.1 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | N161 | S159-N161 PolarHBondContact O-N 2.99Š| ||
| 160 | I | 72.8 | Confident | 67.5 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 26% | 0.256 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.4 | 178.2 | -55.8 | 175.7 | 0 | 0 | 0 | 108.2 | L146 E158 I165 I220 | L146-I160 HydrophobicContact CB-CB 4.43Å; L146-I160 WeakPolarHBondContact CB-O 3.03Å; L146-I160 PolarHBondContact N-O 3.12Å; L146-I160 PolarHBondContact O-N 3.49Å; E158-I160 PolarHBondContact O-N 3.21Å; I160-I165 HydrophobicContact CG2-CD1 3.93Å; I160-I165 HydrophobicContact CG2-CG1 3.97Å; I160-I220 HydrophobicContact CD1-CD1 4.04Å |
| 161 | N | 73 | Confident | 65.9 | Low | 45 Ų | 45 | 79.6 Ų | 79.6 | 24% | 0.241 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 131.2 | 171.5 | -172.7 | -82.9 | 0 | 0 | 0 | 109.8 | D145 S159 R163 S164 | D145-N161 PolarHBondContact OD1-ND2 3.13Å; S159-N161 PolarHBondContact O-N 2.99Å; N161-R163 PolarHBondContact O-N 3.34Å; N161-R163 WeakPolarHBondContact OD1-CB 3.49Å; N161-R163 WeakPolarHBondContact OD1-CG 3.32Å; N161-R163 PolarHBondContact OD1-N 3.09Å; N161-S164 PolarHBondContact O-N 2.9Å; N161-S164 PolarHBondContact O-OG 3.06Å |
| 162 | L | 70 | Confident | 64.1 | Low | 11 Ų | 11 | 83.9 Ų | 83.9 | 6% | 0.058 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -54.9 | -28.6 | -177.9 | -72.2 | 172.3 | 0 | 0 | 0 | 113.3 | G144 L146 S164 I165 L167 F200 F208 | G144-L162 WeakPolarHBondContact O-CG 3.29Å; G144-L162 PolarHBondContact O-N 3.36Å; L146-L162 HydrophobicContact CD1-CD2 3.66Å; L146-L162 HydrophobicContact CD1-CG 4.43Å; L146-L162 HydrophobicContact CG-CD2 4.27Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 2.99Å; L162-I165 HydrophobicContact CD2-CD1 4.06Å; L162-I165 PolarHBondContact O-N 3.02Å; L162-L167 WeakPolarHBondContact O-CD1 3.42Å; L162-F200 HydrophobicContact CD1-CD1 4.34Å; L162-F200 HydrophobicContact CD1-CE1 4Å; L162-F200 HydrophobicContact CD2-CE1 4.01Å; L162-F208 HydrophobicContact CD2-CZ 3.93Å |
| 163 | R | 64.3 | Low | 62.4 | Low | 187 Ų | 187 | 83.9 Ų | 83.9 | 71% | 0.706 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -73 | -17.2 | 179.4 | -56.1 | 173 | 176.9 | -179.7 | -2.1 | 113.9 | N161 | N161-R163 PolarHBondContact O-N 3.34Å; N161-R163 WeakPolarHBondContact OD1-CB 3.49Å; N161-R163 WeakPolarHBondContact OD1-CG 3.32Å; N161-R163 PolarHBondContact OD1-N 3.09Å |
| 164 | S | 60.4 | Low | 60.8 | Low | 91 Ų | 91 | 88.4 Ų | 88.4 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -85.8 | -14.1 | 174.4 | 65.5 | 0 | 0 | 0 | 0 | 113 | N161 L162 | N161-S164 PolarHBondContact O-N 2.9Å; N161-S164 PolarHBondContact O-OG 3.06Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 PolarHBondContact O-N 2.99Å |
| 165 | I | 62.7 | Low | 59 | Low | 19 Ų | 19 | 91.3 Ų | 91.3 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -75.1 | 137.5 | 177.5 | -52.5 | -179.9 | 0 | 0 | 0 | 109 | I160 L162 L167 F208 V222 | I160-I165 HydrophobicContact CG2-CD1 3.93Å; I160-I165 HydrophobicContact CG2-CG1 3.97Å; L162-I165 HydrophobicContact CD2-CD1 4.06Å; L162-I165 PolarHBondContact O-N 3.02Å; I165-L167 HydrophobicContact CB-CG 4.43Å; I165-L167 HydrophobicContact CG2-CG 4.46Å; I165-L167 PolarHBondContact O-N 2.86Å; I165-F208 HydrophobicContact CD1-CE1 3.77Å; I165-F208 HydrophobicContact CD1-CZ 4.38Å; I165-V222 HydrophobicContact CG2-CG2 3.6Å |
| 166 | N | 52.8 | Low | 57.3 | Low | 140 Ų | 140 | 91.9 Ų | 91.9 | 75% | 0.749 | 48% | 0.479 | S | S | * | . | trans | -78.2 | 58.7 | -178 | -104 | -43.1 | 0 | 0 | 0 | 112.9 | K172 | N166-K172 PolarHBondContact OD1-NZ 3.37Š| ||
| 167 | L | 56 | Low | 56.1 | Low | 21 Ų | 21 | 95 Ų | 95 | 11% | 0.11 | 50% | 0.495 | C | S | . | . | trans | -52.5 | 148.4 | 178.2 | -68.4 | 148.9 | 0 | 0 | 0 | 112 | L162 I165 I171 K172 V222 | L162-L167 WeakPolarHBondContact O-CD1 3.42Å; I165-L167 HydrophobicContact CB-CG 4.43Å; I165-L167 HydrophobicContact CG2-CG 4.46Å; I165-L167 PolarHBondContact O-N 2.86Å; L167-I171 HydrophobicContact CB-CB 4.13Å; L167-I171 HydrophobicContact CB-CG2 4.01Å; L167-I171 HydrophobicContact CD1-CG2 3.97Å; L167-I171 HydrophobicContact CD2-CD1 3.92Å; L167-I171 HydrophobicContact CD2-CG2 4.38Å; L167-I171 HydrophobicContact CG-CG2 4.34Å; L167-K172 VanDerWaalsContact O-CD 3.32Å; L167-K172 WeakPolarHBondContact O-CD 3.34Å; L167-K172 WeakPolarHBondContact O-CE 3.27Å; L167-K172 PolarHBondContact O-NZ 2.96Å; L167-V222 HydrophobicContact CD2-CG1 4.04Å | ||
| 168 | P | 53.4 | Low | 55 | Low | 44 Ų | 44 | 99.8 Ų | 99.8 | 29% | 0.286 | 51% | 0.506 | S | S | . | . | trans | -52.9 | 159.1 | 175 | -28.7 | 36.5 | 0 | 0 | 0 | 113.7 | D170 I171 K172 | P168-D170 PolarHBondContact O-N 2.97Å; P168-D170 VanDerWaalsContact O-N 3.11Å; P168-I171 PolarHBondContact O-N 3.26Å; P168-I171 VanDerWaalsContact O-N 3.16Å; P168-K172 PolarHBondContact O-N 2.86Å | ||
| 169 | R | 47.5 | Very low | 54.3 | Low | 221 Ų | 221 | 94.1 Ų | 94.1 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.3 | -33.8 | -169.1 | -68.3 | -176.9 | -179.8 | 174.8 | 1.8 | 113 | K172 S173 | R169-K172 WeakPolarHBondContact O-CB 3.43Å; R169-K172 PolarHBondContact O-N 3.03Å; R169-K172 VanDerWaalsContact O-N 3.14Å; R169-S173 PolarHBondContact O-N 2.84Å |
| 170 | D | 49.6 | Very low | 53.6 | Low | 112 Ų | 112 | 99.4 Ų | 99.4 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.3 | -35.6 | -175.6 | -47.6 | -73.9 | 0 | 0 | 0 | 111.8 | P168 S173 F174 | P168-D170 PolarHBondContact O-N 2.97Å; P168-D170 VanDerWaalsContact O-N 3.11Å; D170-S173 WeakPolarHBondContact O-CB 3.19Å; D170-S173 PolarHBondContact O-N 2.75Å; D170-S173 PolarHBondContact O-OG 3.14Å; D170-F174 WeakPolarHBondContact O-CD2 3.26Å |
| 171 | I | 51 | Low | 53.1 | Low | 29 Ų | 29 | 101.9 Ų | 101.9 | 15% | 0.149 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -71.5 | -33.8 | 170.5 | -66.4 | 179.4 | 0 | 0 | 0 | 111.1 | L167 P168 S173 F174 L224 | L167-I171 HydrophobicContact CB-CB 4.13Å; L167-I171 HydrophobicContact CB-CG2 4.01Å; L167-I171 HydrophobicContact CD1-CG2 3.97Å; L167-I171 HydrophobicContact CD2-CD1 3.92Å; L167-I171 HydrophobicContact CD2-CG2 4.38Å; L167-I171 HydrophobicContact CG-CG2 4.34Å; P168-I171 PolarHBondContact O-N 3.26Å; P168-I171 VanDerWaalsContact O-N 3.16Å; I171-S173 PolarHBondContact O-N 3.36Å; I171-F174 PolarHBondContact O-N 3.17Å; I171-L224 HydrophobicContact CD1-CD1 3.73Å |
| 172 | K | 45.5 | Very low | 53 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.7 | -18 | 177 | -74.1 | 173.8 | 172.1 | 158.1 | 0 | 113.4 | N166 L167 P168 R169 F174 S175 | N166-K172 PolarHBondContact OD1-NZ 3.37Å; L167-K172 VanDerWaalsContact O-CD 3.32Å; L167-K172 WeakPolarHBondContact O-CD 3.34Å; L167-K172 WeakPolarHBondContact O-CE 3.27Å; L167-K172 PolarHBondContact O-NZ 2.96Å; P168-K172 PolarHBondContact O-N 2.86Å; R169-K172 WeakPolarHBondContact O-CB 3.43Å; R169-K172 PolarHBondContact O-N 3.03Å; R169-K172 VanDerWaalsContact O-N 3.14Å; K172-F174 VanDerWaalsContact C-N 3.25Å; K172-F174 PolarHBondContact O-N 3.38Å; K172-S175 VanDerWaalsContact O-CB 3.23Å; K172-S175 WeakPolarHBondContact O-CB 3.46Å; K172-S175 PolarHBondContact O-N 3.45Å |
| 173 | S | 45.2 | Very low | 53.4 | Low | 79 Ų | 79 | 105.3 Ų | 105.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -63.4 | -28.2 | 172.3 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | R169 D170 I171 S175 | R169-S173 PolarHBondContact O-N 2.84Å; D170-S173 WeakPolarHBondContact O-CB 3.19Å; D170-S173 PolarHBondContact O-N 2.75Å; D170-S173 PolarHBondContact O-OG 3.14Å; I171-S173 PolarHBondContact O-N 3.36Å; S173-S175 PolarHBondContact O-N 2.83Å; S173-S175 VanDerWaalsContact O-N 3.1Å |
| 174 | F | 42.9 | Very low | 54.1 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -73.4 | 2.2 | 178.3 | -66.1 | -93.6 | 0 | 0 | 0 | 113.8 | D170 I171 K172 D176 S179 H204 | D170-F174 WeakPolarHBondContact O-CD2 3.26Å; I171-F174 PolarHBondContact O-N 3.17Å; K172-F174 VanDerWaalsContact C-N 3.25Å; K172-F174 PolarHBondContact O-N 3.38Å; F174-D176 PolarHBondContact O-N 2.9Å; F174-S179 PolarHBondContact O-OG 3.3Å; F174-H204 AromaticContact CE2-NE2 3.83Å; F174-H204 AromaticContact CZ-CE1 3.97Å; F174-H204 AromaticContact CZ-NE2 3.99Å |
| 175 | S | 45.2 | Very low | 55 | Low | 96 Ų | 96 | 97.3 Ų | 97.3 | 67% | 0.671 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -76.8 | 0 | -179.9 | -162.3 | 0 | 0 | 0 | 0 | 114.5 | K172 S173 K177 | K172-S175 VanDerWaalsContact O-CB 3.23Å; K172-S175 WeakPolarHBondContact O-CB 3.46Å; K172-S175 PolarHBondContact O-N 3.45Å; S173-S175 PolarHBondContact O-N 2.83Å; S173-S175 VanDerWaalsContact O-N 3.1Å; S175-K177 PolarHBondContact O-N 3.37Å |
| 176 | D | 41.5 | Very low | 55.9 | Low | 139 Ų | 139 | 98.4 Ų | 98.4 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -76.8 | 62.5 | -176.9 | -104.7 | -13.6 | 0 | 0 | 0 | 114.2 | F174 N178 | F174-D176 PolarHBondContact O-N 2.9Å; D176-N178 PolarHBondContact O-N 3.47Å |
| 177 | K | 44.4 | Very low | 57.2 | Low | 195 Ų | 195 | 92.5 Ų | 92.5 | 85% | 0.848 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 57.4 | -15.1 | 153.5 | -66.2 | -178.7 | 178.5 | 173.9 | 0 | 121.1 | S175 | S175-K177 PolarHBondContact O-N 3.37Š|
| 178 | N | 43 | Very low | 58.5 | Low | 162 Ų | 162 | 94 Ų | 94 | 87% | 0.866 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -128.7 | 8.3 | -177.8 | -83.5 | -12.4 | 0 | 0 | 0 | 113.7 | D176 | D176-N178 PolarHBondContact O-N 3.47Š|
| 179 | S | 49.4 | Very low | 59.8 | Low | 67 Ų | 67 | 97.4 Ų | 97.4 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 150.3 | 178.2 | 40.8 | 0 | 0 | 0 | 0 | 112.7 | F174 | F174-S179 PolarHBondContact O-OG 3.3Š|
| 180 | E | 55.5 | Low | 61.6 | Low | 185 Ų | 185 | 86.9 Ų | 86.9 | 86% | 0.864 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 156.4 | 174.6 | -61.9 | -173.2 | 142.1 | 0 | 0 | 111.7 | V182 | E180-V182 PolarHBondContact O-N 2.93Š|
| 181 | Q | 62.7 | Low | 63.1 | Low | 102 Ų | 102 | 84.3 Ų | 84.3 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 118.4 | -176 | -62 | -169.2 | 4.4 | 0 | 0 | 110.8 | Y183 S201 | Q181-Y183 WeakPolarHBondContact O-CD1 3.16Å; Q181-S201 PolarHBondContact O-OG 3.39Å |
| 182 | V | 70.4 | Confident | 64.7 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 122.4 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | E180 F200 S201 | E180-V182 PolarHBondContact O-N 2.93Å; V182-F200 HydrophobicContact CG1-CB 3.88Å; V182-F200 HydrophobicContact CG1-CD1 4.05Å; V182-F200 HydrophobicContact CG1-CG 4.18Å; V182-S201 WeakPolarHBondContact CA-OG 3.43Å |
| 183 | Y | 77 | Confident | 66.6 | Low | 75 Ų | 75 | 79.8 Ų | 79.8 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | trans | -136 | 163.3 | 178.9 | 63.6 | -97.2 | 0 | 0 | 0 | 111.2 | S141 E142 Q181 K185 F200 S201 | S141-Y183 WeakPolarHBondContact O-CB 3.47Å; E142-Y183 HydrophobicContact CB-CD1 4.31Å; E142-Y183 HydrophobicContact CB-CG 4.47Å; E142-Y183 HydrophobicContact CG-CD1 4.4Å; E142-Y183 HydrophobicContact CG-CD2 4.44Å; E142-Y183 HydrophobicContact CG-CE1 4.35Å; E142-Y183 HydrophobicContact CG-CE2 4.39Å; E142-Y183 HydrophobicContact CG-CG 4.46Å; Q181-Y183 WeakPolarHBondContact O-CD1 3.16Å; Y183-K185 PolarHBondContact O-N 2.99Å; Y183-F200 CarbonylContact O-C 3.51Å; Y183-F200 VanDerWaalsContact O-CA 3.31Å; Y183-F200 WeakPolarHBondContact O-CA 3.41Å; Y183-S201 PolarHBondContact N-OG 3.49Å; Y183-S201 PolarHBondContact O-N 2.8Å | ||
| 184 | C | 79.6 | Confident | 68.2 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.007 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 112 | 176.5 | -60 | 0 | 0 | 0 | 0 | 110.9 | S129 A140 V187 L199 | S129-C184 PolarHBondContact OG-O 3.47Å; A140-C184 HydrophobicContact CB-CB 3.87Å; C184-V187 HydrophobicContact CB-CG2 3.73Å; C184-L199 CarbonylContact C-O 3.55Å |
| 185 | K | 79.7 | Confident | 70 | Confident | 109 Ų | 109 | 73 Ų | 73 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -44.6 | 175.1 | -173.1 | -173.8 | -178 | -170.8 | 0 | 110.9 | Y183 L199 T232 | Y183-K185 PolarHBondContact O-N 2.99Å; K185-L199 HydrophobicContact CB-CG 4.4Å; K185-L199 WeakPolarHBondContact CB-O 3.4Å; K185-L199 HydrophobicContact CD-CD2 4.08Å; K185-L199 HydrophobicContact CD-CG 4.47Å; K185-L199 PolarHBondContact N-O 3.37Å; K185-T232 PolarHBondContact NZ-O 3.01Å |
| 186 | T | 80.6 | Confident | 71.8 | Confident | 42 Ų | 42 | 69 Ų | 69 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.7 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | A198 L199 I234 | T186-A198 WeakPolarHBondContact O-CA 3.43Å; T186-L199 HydrophobicContact CG2-CB 3.8Å; T186-L199 HydrophobicContact CG2-CD2 4.11Å; T186-L199 HydrophobicContact CG2-CG 4.48Å; T186-L199 PolarHBondContact O-N 3.45Å; T186-I234 HydrophobicContact CG2-CD1 4.11Å; T186-I234 HydrophobicContact CG2-CG1 3.79Å |
| 187 | V | 81.2 | Confident | 74 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.4 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | F131 C184 A196 F197 A198 | F131-V187 HydrophobicContact CD1-CB 4.03Å; F131-V187 WeakPolarHBondContact CD1-O 3.44Å; F131-V187 HydrophobicContact CD2-CB 3.7Å; F131-V187 HydrophobicContact CD2-CG2 3.97Å; F131-V187 HydrophobicContact CE1-CB 4.08Å; F131-V187 HydrophobicContact CE1-CG2 4.48Å; F131-V187 HydrophobicContact CE2-CB 3.73Å; F131-V187 HydrophobicContact CE2-CG2 3.55Å; F131-V187 HydrophobicContact CG-CB 3.83Å; F131-V187 HydrophobicContact CZ-CB 3.9Å; F131-V187 HydrophobicContact CZ-CG2 3.82Å; F131-V187 VanDerWaalsContact CZ-N 3.33Å; C184-V187 HydrophobicContact CB-CG2 3.73Å; V187-A196 HydrophobicContact CG1-CB 4.01Å; V187-F197 CarbonylContact C-O 3.57Å; V187-F197 VanDerWaalsContact CA-O 3.25Å; V187-F197 WeakPolarHBondContact CA-O 3.28Å; V187-F197 WeakPolarHBondContact CG1-O 3.46Å; V187-A198 HydrophobicContact CG2-CB 3.97Å |
| 188 | E | 83.5 | Confident | 76 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135 | -175.7 | -166.7 | 174.6 | 178.4 | 0 | 0 | 111 | A196 F197 I234 G235 V236 | E188-A196 CarbonylContact O-C 3.58Å; E188-A196 VanDerWaalsContact O-CA 3.31Å; E188-A196 WeakPolarHBondContact O-CA 3.5Å; E188-F197 PolarHBondContact N-O 2.97Å; E188-F197 PolarHBondContact O-N 3.33Å; E188-I234 HydrophobicContact CB-CD1 4.46Å; E188-G235 WeakPolarHBondContact OE2-CA 3.35Å; E188-V236 HydrophobicContact CB-CG2 4.28Å; E188-V236 HydrophobicContact CG-CB 4.22Å; E188-V236 HydrophobicContact CG-CG2 4.18Å; E188-V236 PolarHBondContact OE1-N 3.48Å; E188-V236 WeakPolarHBondContact OE2-CG2 3.46Å; E188-V236 PolarHBondContact OE2-N 2.86Å |
| 189 | W | 80.3 | Confident | 78.2 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128 | -175.2 | -175.7 | -124.4 | 0 | 0 | 0 | 112 | L133 G195 A196 N238 | L133-W189 HydrophobicContact CD2-CB 4.24Å; L133-W189 HydrophobicContact CD2-CD2 3.55Å; L133-W189 HydrophobicContact CD2-CE3 3.42Å; L133-W189 VanDerWaalsContact CD2-CE3 3.42Å; L133-W189 HydrophobicContact CD2-CG 3.9Å; L133-W189 HydrophobicContact CD2-CZ3 4.02Å; L133-W189 HydrophobicContact CG-CB 4.23Å; L133-W189 HydrophobicContact CG-CD2 4.38Å; L133-W189 HydrophobicContact CG-CG 4.22Å; W189-G195 VanDerWaalsContact CZ3-C 3.41Å; W189-G195 VanDerWaalsContact CZ3-O 3.27Å; W189-G195 WeakPolarHBondContact CZ3-O 3.32Å; W189-A196 HydrophobicContact CE3-CB 3.86Å; W189-A196 HydrophobicContact CZ3-CB 4.17Å; W189-N238 PolarHBondContact O-ND2 3.27Å; W189-N238 VanDerWaalsContact O-ND2 3.14Å |
| 190 | S | 85.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 69.7 | -170.3 | 58.6 | 0 | 0 | 0 | 0 | 112 | T192 F193 G194 G195 F197 N238 | S190-T192 PolarHBondContact O-N 3.32Å; S190-T192 VanDerWaalsContact O-N 3.15Å; S190-F193 CarbonylContact O-C 3.56Å; S190-F193 WeakPolarHBondContact O-CA 3.29Å; S190-F193 PolarHBondContact O-N 2.88Å; S190-G194 PolarHBondContact O-N 3.34Å; S190-G195 CarbonylContact C-O 3.55Å; S190-G195 VanDerWaalsContact C-O 3.24Å; S190-G195 VanDerWaalsContact CA-O 3.32Å; S190-G195 WeakPolarHBondContact CA-O 3.24Å; S190-G195 PolarHBondContact N-O 2.95Å; S190-G195 PolarHBondContact O-N 3.19Å; S190-G195 VanDerWaalsContact O-O 3.08Å; S190-G195 VanDerWaalsContact OG-C 3.26Å; S190-G195 PolarHBondContact OG-O 3.44Å; S190-F197 VanDerWaalsContact OG-CD2 3.25Å; S190-F197 WeakPolarHBondContact OG-CD2 3.5Å; S190-F197 WeakPolarHBondContact OG-CE2 3.31Å; S190-N238 VanDerWaalsContact CA-OD1 3.29Å; S190-N238 WeakPolarHBondContact CA-OD1 3.44Å |
| 191 | P | 80.6 | Confident | 81.2 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 38% | 0.377 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -57.3 | -29.9 | -177.1 | 22.1 | -34.8 | 0 | 0 | 0 | 113.5 | F193 G194 N238 F604 | P191-F193 PolarHBondContact O-N 3.16Å; P191-G194 PolarHBondContact O-N 3.12Å; P191-N238 WeakPolarHBondContact CD-OD1 3.39Å; P191-F604 WeakPolarHBondContact O-CZ 3.21Å |
| 192 | T | 85.4 | Confident | 82 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -80.5 | 1.4 | 178.8 | 64.9 | 0 | 0 | 0 | 0 | 114 | S190 N238 R241 F604 C607 | S190-T192 PolarHBondContact O-N 3.32Å; S190-T192 VanDerWaalsContact O-N 3.15Å; T192-N238 WeakPolarHBondContact CB-O 3.26Å; T192-N238 HydrophobicContact CG2-CB 4.4Å; T192-N238 WeakPolarHBondContact CG2-O 3.31Å; T192-N238 WeakPolarHBondContact OG1-CA 3.46Å; T192-N238 PolarHBondContact OG1-O 2.93Å; T192-N238 PolarHBondContact OG1-OD1 3.15Å; T192-R241 PolarHBondContact O-NE 2.82Å; T192-F604 HydrophobicContact CG2-CB 4.28Å; T192-F604 HydrophobicContact CG2-CD1 4.39Å; T192-F604 HydrophobicContact CG2-CD2 4.41Å; T192-F604 HydrophobicContact CG2-CG 4.12Å; T192-F604 VanDerWaalsContact O-CE2 3.31Å; T192-F604 WeakPolarHBondContact O-CE2 3.4Å; T192-C607 VanDerWaalsContact CG2-SG 3.58Å |
| 193 | F | 84.5 | Confident | 82.5 | Confident | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -114.2 | 3.6 | 164.8 | -67.4 | -95.1 | 0 | 0 | 0 | 112.4 | S190 P191 G195 F197 L207 V236 R241 M257 F264 | S190-F193 CarbonylContact O-C 3.56Å; S190-F193 WeakPolarHBondContact O-CA 3.29Å; S190-F193 PolarHBondContact O-N 2.88Å; P191-F193 PolarHBondContact O-N 3.16Å; F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 3.13Å; F193-F197 HydrophobicContact CB-CE2 4.23Å; F193-F197 HydrophobicContact CD1-CE2 4.21Å; F193-F197 AromaticContact CD1-CZ 3.96Å; F193-F197 HydrophobicContact CD1-CZ 3.96Å; F193-F197 AromaticContact CD2-CE2 3.8Å; F193-F197 HydrophobicContact CD2-CE2 3.8Å; F193-F197 HydrophobicContact CD2-CZ 4.31Å; F193-F197 HydrophobicContact CE1-CE2 4.45Å; F193-F197 HydrophobicContact CE1-CZ 4.02Å; F193-F197 HydrophobicContact CE2-CE2 4.03Å; F193-F197 HydrophobicContact CE2-CZ 4.34Å; F193-F197 AromaticContact CG-CE2 3.84Å; F193-F197 HydrophobicContact CG-CE2 3.84Å; F193-F197 HydrophobicContact CG-CZ 4.07Å; F193-F197 HydrophobicContact CZ-CE2 4.32Å; F193-F197 HydrophobicContact CZ-CZ 4.17Å; F193-L207 HydrophobicContact CB-CD1 4.3Å; F193-L207 HydrophobicContact CB-CD2 4.04Å; F193-L207 HydrophobicContact CD1-CD2 4.4Å; F193-V236 HydrophobicContact CD2-CG1 4.36Å; F193-V236 HydrophobicContact CE2-CG1 3.99Å; F193-R241 HydrophobicContact CE1-CB 4.45Å; F193-R241 HydrophobicContact CE2-CB 4.05Å; F193-R241 HydrophobicContact CE2-CG 4.21Å; F193-R241 HydrophobicContact CZ-CB 3.87Å; F193-R241 HydrophobicContact CZ-CG 4.46Å; F193-R241 WeakPolarHBondContact CZ-O 3.41Å; F193-M257 HydrophobicContact CD1-CE 4.41Å; F193-M257 HydrophobicContact CD1-SD 4.19Å; F193-M257 HydrophobicContact CE1-CB 4.02Å; F193-F264 HydrophobicContact CD1-CE1 4.26Å; F193-F264 HydrophobicContact CD1-CZ 4.01Å; F193-F264 AromaticContact CE1-CE1 3.67Å; F193-F264 HydrophobicContact CE1-CE1 3.67Å; F193-F264 AromaticContact CE1-CZ 3.89Å; F193-F264 HydrophobicContact CE1-CZ 3.89Å; F193-F264 HydrophobicContact CZ-CE1 4.38Å |
| 194 | G | 78.6 | Confident | 82.9 | Confident | 35 Ų | 35 | 31 Ų | 31 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 18 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S190 P191 S210 | S190-G194 PolarHBondContact O-N 3.34Å; P191-G194 PolarHBondContact O-N 3.12Å; G194-S210 PolarHBondContact O-N 3.06Å |
| 195 | G | 80.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | -166.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.9 | W189 S190 F193 F208 | W189-G195 VanDerWaalsContact CZ3-C 3.41Å; W189-G195 VanDerWaalsContact CZ3-O 3.27Å; W189-G195 WeakPolarHBondContact CZ3-O 3.32Å; S190-G195 CarbonylContact C-O 3.55Å; S190-G195 VanDerWaalsContact C-O 3.24Å; S190-G195 VanDerWaalsContact CA-O 3.32Å; S190-G195 WeakPolarHBondContact CA-O 3.24Å; S190-G195 PolarHBondContact N-O 2.95Å; S190-G195 PolarHBondContact O-N 3.19Å; S190-G195 VanDerWaalsContact O-O 3.08Å; S190-G195 VanDerWaalsContact OG-C 3.26Å; S190-G195 PolarHBondContact OG-O 3.44Å; F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 3.13Å; G195-F208 CarbonylContact C-O 3.54Å; G195-F208 WeakPolarHBondContact CA-O 3.24Å |
| 196 | A | 83.6 | Confident | 83.6 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V187 E188 W189 F208 | V187-A196 HydrophobicContact CG1-CB 4.01Å; E188-A196 CarbonylContact O-C 3.58Å; E188-A196 VanDerWaalsContact O-CA 3.31Å; E188-A196 WeakPolarHBondContact O-CA 3.5Å; W189-A196 HydrophobicContact CE3-CB 3.86Å; W189-A196 HydrophobicContact CZ3-CB 4.17Å; A196-F208 PolarHBondContact N-O 3.44Å; A196-F208 PolarHBondContact O-N 3.27Å |
| 197 | F | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143.8 | 167.8 | -71.5 | -91.7 | 0 | 0 | 0 | 110.1 | V187 E188 S190 F193 I205 A206 L207 I234 V236 L243 F264 | V187-F197 CarbonylContact C-O 3.57Å; V187-F197 VanDerWaalsContact CA-O 3.25Å; V187-F197 WeakPolarHBondContact CA-O 3.28Å; V187-F197 WeakPolarHBondContact CG1-O 3.46Å; E188-F197 PolarHBondContact N-O 2.97Å; E188-F197 PolarHBondContact O-N 3.33Å; S190-F197 VanDerWaalsContact OG-CD2 3.25Å; S190-F197 WeakPolarHBondContact OG-CD2 3.5Å; S190-F197 WeakPolarHBondContact OG-CE2 3.31Å; F193-F197 HydrophobicContact CB-CE2 4.23Å; F193-F197 HydrophobicContact CD1-CE2 4.21Å; F193-F197 AromaticContact CD1-CZ 3.96Å; F193-F197 HydrophobicContact CD1-CZ 3.96Å; F193-F197 AromaticContact CD2-CE2 3.8Å; F193-F197 HydrophobicContact CD2-CE2 3.8Å; F193-F197 HydrophobicContact CD2-CZ 4.31Å; F193-F197 HydrophobicContact CE1-CE2 4.45Å; F193-F197 HydrophobicContact CE1-CZ 4.02Å; F193-F197 HydrophobicContact CE2-CE2 4.03Å; F193-F197 HydrophobicContact CE2-CZ 4.34Å; F193-F197 AromaticContact CG-CE2 3.84Å; F193-F197 HydrophobicContact CG-CE2 3.84Å; F193-F197 HydrophobicContact CG-CZ 4.07Å; F193-F197 HydrophobicContact CZ-CE2 4.32Å; F193-F197 HydrophobicContact CZ-CZ 4.17Å; F197-I205 HydrophobicContact CD1-CG2 4.44Å; F197-A206 CarbonylContact C-O 3.59Å; F197-A206 WeakPolarHBondContact CA-O 3.4Å; F197-L207 HydrophobicContact CD1-CB 4.03Å; F197-L207 HydrophobicContact CD2-CD1 4.03Å; F197-L207 HydrophobicContact CE1-CB 3.89Å; F197-L207 HydrophobicContact CE1-CD1 4.43Å; F197-L207 HydrophobicContact CE1-CD2 4.43Å; F197-L207 HydrophobicContact CE1-CG 4.47Å; F197-L207 HydrophobicContact CE2-CD1 3.96Å; F197-L207 HydrophobicContact CG-CD1 4.32Å; F197-L207 HydrophobicContact CZ-CB 4.34Å; F197-L207 HydrophobicContact CZ-CD1 4.17Å; F197-L207 HydrophobicContact CZ-CD2 4.12Å; F197-L207 HydrophobicContact CZ-CG 4.44Å; F197-I234 HydrophobicContact CB-CD1 4.17Å; F197-V236 HydrophobicContact CB-CG2 4.12Å; F197-V236 HydrophobicContact CD2-CB 4.47Å; F197-V236 HydrophobicContact CD2-CG1 4.18Å; F197-V236 HydrophobicContact CD2-CG2 3.43Å; F197-V236 VanDerWaalsContact CD2-CG2 3.43Å; F197-V236 HydrophobicContact CE2-CG1 4.08Å; F197-V236 HydrophobicContact CE2-CG2 4.01Å; F197-V236 HydrophobicContact CG-CG2 3.91Å; F197-L243 HydrophobicContact CD1-CD1 4.15Å; F197-L243 HydrophobicContact CD1-CD2 3.96Å; F197-L243 HydrophobicContact CE1-CD1 4.49Å; F197-L243 HydrophobicContact CE1-CD2 3.89Å; F197-L243 HydrophobicContact CG-CD1 4.28Å; F197-F264 AromaticContact CE1-CE1 3.71Å; F197-F264 HydrophobicContact CE1-CE1 3.71Å; F197-F264 HydrophobicContact CE1-CE2 4.29Å; F197-F264 AromaticContact CE1-CZ 3.6Å; F197-F264 HydrophobicContact CE1-CZ 3.6Å; F197-F264 AromaticContact CZ-CE1 3.58Å; F197-F264 HydrophobicContact CZ-CE1 3.58Å; F197-F264 AromaticContact CZ-CZ 3.5Å; F197-F264 HydrophobicContact CZ-CZ 3.5Å |
| 198 | A | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T186 V187 F200 I205 A206 F208 | T186-A198 WeakPolarHBondContact O-CA 3.43Å; V187-A198 HydrophobicContact CG2-CB 3.97Å; A198-F200 HydrophobicContact CB-CZ 4.48Å; A198-I205 WeakPolarHBondContact O-CA 3.22Å; A198-A206 PolarHBondContact N-O 3.23Å; A198-A206 PolarHBondContact O-N 3.29Å; A198-F208 HydrophobicContact CB-CD2 4.06Å; A198-F208 HydrophobicContact CB-CE2 3.59Å |
| 199 | L | 89 | Confident | 83.6 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.2 | 169.6 | 170.5 | 59.2 | 0 | 0 | 0 | 108.9 | C184 K185 T186 I205 P231 I234 | C184-L199 CarbonylContact C-O 3.55Å; K185-L199 HydrophobicContact CB-CG 4.4Å; K185-L199 WeakPolarHBondContact CB-O 3.4Å; K185-L199 HydrophobicContact CD-CD2 4.08Å; K185-L199 HydrophobicContact CD-CG 4.47Å; K185-L199 PolarHBondContact N-O 3.37Å; T186-L199 HydrophobicContact CG2-CB 3.8Å; T186-L199 HydrophobicContact CG2-CD2 4.11Å; T186-L199 HydrophobicContact CG2-CG 4.48Å; T186-L199 PolarHBondContact O-N 3.45Å; L199-I205 HydrophobicContact CB-CG1 4.45Å; L199-I205 HydrophobicContact CD1-CG1 3.82Å; L199-P231 HydrophobicContact CD1-CB 3.94Å; L199-P231 HydrophobicContact CD1-CG 3.62Å; L199-I234 HydrophobicContact CB-CD1 4.32Å; L199-I234 HydrophobicContact CB-CG2 4.25Å; L199-I234 HydrophobicContact CD2-CG2 4.45Å |
| 200 | F | 84.5 | Confident | 82.9 | Confident | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 155.6 | 178.2 | -61 | -73.3 | 0 | 0 | 0 | 112.5 | L162 V182 Y183 A198 S202 G203 H204 A206 F208 | L162-F200 HydrophobicContact CD1-CD1 4.34Å; L162-F200 HydrophobicContact CD1-CE1 4Å; L162-F200 HydrophobicContact CD2-CE1 4.01Å; V182-F200 HydrophobicContact CG1-CB 3.88Å; V182-F200 HydrophobicContact CG1-CD1 4.05Å; V182-F200 HydrophobicContact CG1-CG 4.18Å; Y183-F200 CarbonylContact O-C 3.51Å; Y183-F200 VanDerWaalsContact O-CA 3.31Å; Y183-F200 WeakPolarHBondContact O-CA 3.41Å; A198-F200 HydrophobicContact CB-CZ 4.48Å; F200-S202 PolarHBondContact O-N 3.32Å; F200-S202 VanDerWaalsContact O-N 3.13Å; F200-G203 PolarHBondContact O-N 3.27Å; F200-H204 HydrophobicContact CD2-CB 4.24Å; F200-H204 WeakPolarHBondContact CD2-O 3.4Å; F200-H204 PolarHBondContact N-O 3.41Å; F200-A206 HydrophobicContact CE2-CB 3.87Å; F200-F208 HydrophobicContact CE1-CZ 4.3Å; F200-F208 HydrophobicContact CZ-CE2 4.18Å; F200-F208 AromaticContact CZ-CZ 3.77Å; F200-F208 HydrophobicContact CZ-CZ 3.77Å |
| 201 | S | 82.9 | Confident | 81.1 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.1 | 172 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | Q181 V182 Y183 G203 | Q181-S201 PolarHBondContact O-OG 3.39Å; V182-S201 WeakPolarHBondContact CA-OG 3.43Å; Y183-S201 PolarHBondContact N-OG 3.49Å; Y183-S201 PolarHBondContact O-N 2.8Å; S201-G203 PolarHBondContact O-N 2.93Å |
| 202 | S | 79.8 | Confident | 79.4 | Confident | 43 Ų | 43 | 26.9 Ų | 26.9 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5.6 | 171.2 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | F200 H204 | F200-S202 PolarHBondContact O-N 3.32Å; F200-S202 VanDerWaalsContact O-N 3.13Å; S202-H204 VanDerWaalsContact C-N 3.26Å; S202-H204 PolarHBondContact O-N 2.99Å; S202-H204 PolarHBondContact O-ND1 2.91Å; S202-H204 PolarHBondContact OG-ND1 3.36Å |
| 203 | G | 81.7 | Confident | 77.1 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 68.8 | 22.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | F200 S201 P231 | F200-G203 PolarHBondContact O-N 3.27Å; S201-G203 PolarHBondContact O-N 2.93Å; G203-P231 WeakPolarHBondContact O-CD 3.38Å; G203-P231 WeakPolarHBondContact O-CG 3.33Å |
| 204 | H | 84.9 | Confident | 74.8 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | trans | -105.2 | 149.6 | 176.5 | -67.4 | 42.1 | 0 | 0 | 0 | 110.1 | F174 F200 S202 | F174-H204 AromaticContact CE2-NE2 3.83Å; F174-H204 AromaticContact CZ-CE1 3.97Å; F174-H204 AromaticContact CZ-NE2 3.99Å; F200-H204 HydrophobicContact CD2-CB 4.24Å; F200-H204 WeakPolarHBondContact CD2-O 3.4Å; F200-H204 PolarHBondContact N-O 3.41Å; S202-H204 VanDerWaalsContact C-N 3.26Å; S202-H204 PolarHBondContact O-N 2.99Å; S202-H204 PolarHBondContact O-ND1 2.91Å; S202-H204 PolarHBondContact OG-ND1 3.36Å | ||
| 205 | I | 88.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.8 | 175.2 | -59.6 | 169.3 | 0 | 0 | 0 | 109.4 | F197 A198 L199 L224 V225 V228 P231 I234 L243 V245 | F197-I205 HydrophobicContact CD1-CG2 4.44Å; A198-I205 WeakPolarHBondContact O-CA 3.22Å; L199-I205 HydrophobicContact CB-CG1 4.45Å; L199-I205 HydrophobicContact CD1-CG1 3.82Å; I205-L224 WeakPolarHBondContact O-CD1 3.29Å; I205-V225 HydrophobicContact CB-CB 4.13Å; I205-V225 HydrophobicContact CB-CG2 4.21Å; I205-V225 HydrophobicContact CG2-CB 4.29Å; I205-V225 HydrophobicContact CG2-CG2 3.8Å; I205-V225 PolarHBondContact O-N 3.02Å; I205-V228 HydrophobicContact CD1-CG1 3.99Å; I205-V228 HydrophobicContact CD1-CG2 4.47Å; I205-P231 HydrophobicContact CD1-CB 3.98Å; I205-P231 HydrophobicContact CD1-CG 4.32Å; I205-P231 HydrophobicContact CG1-CB 4.47Å; I205-P231 HydrophobicContact CG1-CG 4.35Å; I205-I234 HydrophobicContact CD1-CG2 3.61Å; I205-I234 HydrophobicContact CG1-CG2 4.22Å; I205-L243 HydrophobicContact CG2-CD2 4.28Å; I205-V245 HydrophobicContact CD1-CB 4.28Å; I205-V245 HydrophobicContact CD1-CG1 3.59Å; I205-V245 HydrophobicContact CD1-CG2 3.61Å |
| 206 | A | 86.8 | Confident | 70.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F197 A198 F200 V222 I223 L224 | F197-A206 CarbonylContact C-O 3.59Å; F197-A206 WeakPolarHBondContact CA-O 3.4Å; A198-A206 PolarHBondContact N-O 3.23Å; A198-A206 PolarHBondContact O-N 3.29Å; F200-A206 HydrophobicContact CE2-CB 3.87Å; A206-V222 HydrophobicContact CB-CG1 3.69Å; A206-I223 CarbonylContact C-O 3.59Å; A206-I223 VanDerWaalsContact CA-O 3.27Å; A206-I223 WeakPolarHBondContact CA-O 3.5Å; A206-L224 HydrophobicContact CB-CD1 4.38Å |
| 207 | L | 86.6 | Confident | 69 | Low | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121.8 | 169 | 171.3 | 61.5 | 0 | 0 | 0 | 109.3 | F193 F197 V209 V222 I223 F264 | F193-L207 HydrophobicContact CB-CD1 4.3Å; F193-L207 HydrophobicContact CB-CD2 4.04Å; F193-L207 HydrophobicContact CD1-CD2 4.4Å; F197-L207 HydrophobicContact CD1-CB 4.03Å; F197-L207 HydrophobicContact CD2-CD1 4.03Å; F197-L207 HydrophobicContact CE1-CB 3.89Å; F197-L207 HydrophobicContact CE1-CD1 4.43Å; F197-L207 HydrophobicContact CE1-CD2 4.43Å; F197-L207 HydrophobicContact CE1-CG 4.47Å; F197-L207 HydrophobicContact CE2-CD1 3.96Å; F197-L207 HydrophobicContact CG-CD1 4.32Å; F197-L207 HydrophobicContact CZ-CB 4.34Å; F197-L207 HydrophobicContact CZ-CD1 4.17Å; F197-L207 HydrophobicContact CZ-CD2 4.12Å; F197-L207 HydrophobicContact CZ-CG 4.44Å; L207-V209 HydrophobicContact CD2-CG2 3.98Å; L207-V209 HydrophobicContact CG-CG2 3.83Å; L207-V222 WeakPolarHBondContact O-CA 3.49Å; L207-I223 HydrophobicContact CB-CB 4.42Å; L207-I223 PolarHBondContact N-O 3.06Å; L207-I223 PolarHBondContact O-N 2.87Å; L207-F264 HydrophobicContact CD2-CE2 4.17Å; L207-F264 HydrophobicContact CD2-CZ 3.95Å |
| 208 | F | 81 | Confident | 67.1 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 10% | 0.101 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 106.4 | 171.7 | -66.6 | -71.3 | 0 | 0 | 0 | 110.1 | L162 I165 G195 A196 A198 F200 I220 V222 | L162-F208 HydrophobicContact CD2-CZ 3.93Å; I165-F208 HydrophobicContact CD1-CE1 3.77Å; I165-F208 HydrophobicContact CD1-CZ 4.38Å; G195-F208 CarbonylContact C-O 3.54Å; G195-F208 WeakPolarHBondContact CA-O 3.24Å; A196-F208 PolarHBondContact N-O 3.44Å; A196-F208 PolarHBondContact O-N 3.27Å; A198-F208 HydrophobicContact CB-CD2 4.06Å; A198-F208 HydrophobicContact CB-CE2 3.59Å; F200-F208 HydrophobicContact CE1-CZ 4.3Å; F200-F208 HydrophobicContact CZ-CE2 4.18Å; F200-F208 AromaticContact CZ-CZ 3.77Å; F200-F208 HydrophobicContact CZ-CZ 3.77Å; F208-I220 HydrophobicContact CB-CG2 4Å; F208-I220 HydrophobicContact CD1-CG2 3.76Å; F208-I220 HydrophobicContact CG-CG2 4.36Å; F208-V222 HydrophobicContact CD1-CG1 4.37Å; F208-V222 HydrophobicContact CD1-CG2 3.84Å; F208-V222 HydrophobicContact CE1-CG1 4.33Å; F208-V222 HydrophobicContact CE1-CG2 4.02Å |
| 209 | V | 76.1 | Confident | 65.6 | Low | 25 Ų | 25 | 66.7 Ų | 66.7 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.9 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | L207 I220 E221 I223 | L207-V209 HydrophobicContact CD2-CG2 3.98Å; L207-V209 HydrophobicContact CG-CG2 3.83Å; V209-I220 WeakPolarHBondContact O-CA 3.42Å; V209-E221 HydrophobicContact CB-CB 4.38Å; V209-E221 PolarHBondContact N-O 3.26Å; V209-E221 PolarHBondContact O-N 2.93Å; V209-E221 VanDerWaalsContact O-N 3.13Å; V209-I223 HydrophobicContact CG2-CD1 4.14Å |
| 210 | S | 65.5 | Low | 64.5 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 57% | 0.573 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 97 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | G194 G212 | G194-S210 PolarHBondContact O-N 3.06Å; S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 2.98Å |
| 211 | L | 47.6 | Very low | 64 | Low | 117 Ų | 117 | 73.4 Ų | 73.4 | 61% | 0.613 | 45% | 0.449 | S | S | * | . | trans | -77.8 | 71 | -175.6 | -72.5 | 162.2 | 0 | 0 | 0 | 113.5 | E221 | L211-E221 HydrophobicContact CD1-CB 3.99Š| ||
| 212 | G | 46.1 | Very low | 63.7 | Low | 60 Ų | 60 | 71.9 Ų | 71.9 | 62% | 0.619 | 44% | 0.438 | S | S | * | . | trans | 98.4 | -178.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S210 | S210-G212 VanDerWaalsContact C-N 3.31Å; S210-G212 PolarHBondContact O-N 2.98Å | ||
| 213 | A | 37 | Very low | 63.8 | Low | 105 Ų | 105 | 71.9 Ų | 71.9 | 87% | 0.868 | 43% | 0.434 | S | S | * | . | trans | -122 | 35.2 | -165 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 214 | V | 35.4 | Very low | 63.9 | Low | 132 Ų | 132 | 72.8 Ų | 72.8 | 80% | 0.8 | 43% | 0.434 | S | S | * | . | trans | -83.7 | 128.7 | 171.1 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | N216 | V214-N216 PolarHBondContact O-N 3.28Š| ||
| 215 | A | 38.9 | Very low | 63.9 | Low | 99 Ų | 99 | 70.6 Ų | 70.6 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -77.5 | 11 | -160.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 216 | N | 39.4 | Very low | 63.6 | Low | 143 Ų | 143 | 75.8 Ų | 75.8 | 77% | 0.765 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -137.6 | 119.3 | -176.2 | -78.9 | -37.9 | 0 | 0 | 0 | 111.6 | V214 | V214-N216 PolarHBondContact O-N 3.28Š|
| 217 | Q | 42.7 | Very low | 63 | Low | 195 Ų | 195 | 82.3 Ų | 82.3 | 91% | 0.911 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 63 | 148 | 178.8 | -64.3 | -175.4 | -22.3 | 0 | 0 | 115.5 | ||
| 218 | T | 50.4 | Low | 62.4 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | trans | -116.6 | 92.5 | -157.5 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | I220 | T218-I220 HydrophobicContact CG2-CD1 4.47Å; T218-I220 PolarHBondContact O-N 3.44Å | ||
| 219 | D | 54.3 | Low | 62.2 | Low | 143 Ų | 143 | 85.8 Ų | 85.8 | 77% | 0.765 | 51% | 0.508 | S | S | * | . | trans | -73.1 | 76.5 | 163.6 | -72.3 | -28.7 | 0 | 0 | 0 | 109.3 | ||||
| 220 | I | 65.9 | Low | 62.7 | Low | 45 Ų | 45 | 90.8 Ų | 90.8 | 23% | 0.231 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 111.2 | 170.6 | -65.6 | 162.6 | 0 | 0 | 0 | 107.2 | I160 F208 V209 T218 V222 | I160-I220 HydrophobicContact CD1-CD1 4.04Å; F208-I220 HydrophobicContact CB-CG2 4Å; F208-I220 HydrophobicContact CD1-CG2 3.76Å; F208-I220 HydrophobicContact CG-CG2 4.36Å; V209-I220 WeakPolarHBondContact O-CA 3.42Å; T218-I220 HydrophobicContact CG2-CD1 4.47Å; T218-I220 PolarHBondContact O-N 3.44Å; I220-V222 HydrophobicContact CG2-CG2 4.35Å |
| 221 | E | 72.6 | Confident | 63.9 | Low | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.3 | 171.2 | -176.6 | 166.5 | -152.1 | 0 | 0 | 109.5 | V209 L211 I223 | V209-E221 HydrophobicContact CB-CB 4.38Å; V209-E221 PolarHBondContact N-O 3.26Å; V209-E221 PolarHBondContact O-N 2.93Å; V209-E221 VanDerWaalsContact O-N 3.13Å; L211-E221 HydrophobicContact CD1-CB 3.99Å; E221-I223 HydrophobicContact CG-CG1 4.47Å |
| 222 | V | 76.1 | Confident | 65.9 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 12% | 0.115 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 103.9 | -176 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | I165 L167 A206 L207 F208 I220 | I165-V222 HydrophobicContact CG2-CG2 3.6Å; L167-V222 HydrophobicContact CD2-CG1 4.04Å; A206-V222 HydrophobicContact CB-CG1 3.69Å; L207-V222 WeakPolarHBondContact O-CA 3.49Å; F208-V222 HydrophobicContact CD1-CG1 4.37Å; F208-V222 HydrophobicContact CD1-CG2 3.84Å; F208-V222 HydrophobicContact CE1-CG1 4.33Å; F208-V222 HydrophobicContact CE1-CG2 4.02Å; I220-V222 HydrophobicContact CG2-CG2 4.35Å |
| 223 | I | 83.4 | Confident | 68 | Low | 44 Ų | 44 | 80.4 Ų | 80.4 | 23% | 0.226 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.1 | 177.5 | -56.3 | 174.8 | 0 | 0 | 0 | 107.9 | A206 L207 V209 E221 F264 | A206-I223 CarbonylContact C-O 3.59Å; A206-I223 VanDerWaalsContact CA-O 3.27Å; A206-I223 WeakPolarHBondContact CA-O 3.5Å; L207-I223 HydrophobicContact CB-CB 4.42Å; L207-I223 PolarHBondContact N-O 3.06Å; L207-I223 PolarHBondContact O-N 2.87Å; V209-I223 HydrophobicContact CG2-CD1 4.14Å; E221-I223 HydrophobicContact CG-CG1 4.47Å; I223-F264 HydrophobicContact CG2-CD2 4.23Å; I223-F264 HydrophobicContact CG2-CE2 4.08Å |
| 224 | L | 83.1 | Confident | 70.6 | Confident | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 143 | 176.5 | -162.4 | 74.2 | 0 | 0 | 0 | 110.4 | I171 I205 A206 | I171-L224 HydrophobicContact CD1-CD1 3.73Å; I205-L224 WeakPolarHBondContact O-CD1 3.29Å; A206-L224 HydrophobicContact CB-CD1 4.38Å |
| 225 | V | 85.9 | Confident | 73.3 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.6 | 164.1 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | I205 V228 L243 Y255 F264 | I205-V225 HydrophobicContact CB-CB 4.13Å; I205-V225 HydrophobicContact CB-CG2 4.21Å; I205-V225 HydrophobicContact CG2-CB 4.29Å; I205-V225 HydrophobicContact CG2-CG2 3.8Å; I205-V225 PolarHBondContact O-N 3.02Å; V225-V228 HydrophobicContact CB-CG2 4.13Å; V225-V228 HydrophobicContact CG1-CG2 3.71Å; V225-V228 WeakPolarHBondContact O-CG2 3.28Å; V225-L243 HydrophobicContact CG2-CD2 3.99Å; V225-Y255 HydrophobicContact CG1-CD1 3.67Å; V225-Y255 HydrophobicContact CG1-CE1 3.56Å; V225-Y255 HydrophobicContact CG1-CE2 4.5Å; V225-Y255 HydrophobicContact CG1-CG 4.2Å; V225-F264 HydrophobicContact CG1-CB 4.03Å; V225-F264 HydrophobicContact CG2-CB 4.34Å; V225-F264 HydrophobicContact CG2-CD2 4.15Å; V225-F264 HydrophobicContact CG2-CG 4.11Å |
| 226 | E | 81 | Confident | 75.9 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | trans | -81 | 162.5 | 179.1 | -63.7 | -176.5 | 172.8 | 0 | 0 | 112.2 | V228 | E226-V228 PolarHBondContact O-N 3.32Š| ||
| 227 | N | 73.5 | Confident | 78.5 | Confident | 137 Ų | 137 | 58.7 Ų | 58.7 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 55.9 | 49.7 | 174.1 | -54.9 | -60.6 | 0 | 0 | 0 | 114.1 | Y255 | N227-Y255 PolarHBondContact O-OH 3.32Š|
| 228 | V | 75.4 | Confident | 80.7 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | trans | -106 | 115.4 | 175.9 | -162.9 | 0 | 0 | 0 | 0 | 110.2 | I205 V225 E226 P231 V245 | I205-V228 HydrophobicContact CD1-CG1 3.99Å; I205-V228 HydrophobicContact CD1-CG2 4.47Å; V225-V228 HydrophobicContact CB-CG2 4.13Å; V225-V228 HydrophobicContact CG1-CG2 3.71Å; V225-V228 WeakPolarHBondContact O-CG2 3.28Å; E226-V228 PolarHBondContact O-N 3.32Å; V228-P231 HydrophobicContact CG1-CB 3.67Å; V228-P231 HydrophobicContact CG1-CG 3.66Å; V228-V245 HydrophobicContact CG1-CG1 3.84Å | ||
| 229 | S | 76.5 | Confident | 82.7 | Confident | 65 Ų | 65 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | trans | -93.5 | 102.6 | -179.4 | 51.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 230 | H | 86.2 | Confident | 84.5 | Confident | 130 Ų | 130 | 42.7 Ų | 42.7 | 60% | 0.602 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 47.1 | 68.9 | 176.4 | -55.7 | 102.9 | 0 | 0 | 0 | 113.8 | T232 E248 | H230-T232 PolarHBondContact O-N 3.3Å; H230-E248 HydrophobicContact CB-CB 4.06Å; H230-E248 HydrophobicContact CB-CG 3.98Å; H230-E248 PolarHBondContact O-N 2.96Å; H230-E248 VanDerWaalsContact O-N 3.09Å |
| 231 | P | 90.4 | Very high | 85.7 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.7 | -178.5 | 28.2 | -33.1 | 0 | 0 | 0 | 112.8 | L199 G203 I205 V228 V245 G246 | L199-P231 HydrophobicContact CD1-CB 3.94Å; L199-P231 HydrophobicContact CD1-CG 3.62Å; G203-P231 WeakPolarHBondContact O-CD 3.38Å; G203-P231 WeakPolarHBondContact O-CG 3.33Å; I205-P231 HydrophobicContact CD1-CB 3.98Å; I205-P231 HydrophobicContact CD1-CG 4.32Å; I205-P231 HydrophobicContact CG1-CB 4.47Å; I205-P231 HydrophobicContact CG1-CG 4.35Å; V228-P231 HydrophobicContact CG1-CB 3.67Å; V228-P231 HydrophobicContact CG1-CG 3.66Å; P231-V245 HydrophobicContact CB-CG1 3.56Å; P231-G246 CarbonylContact C-O 3.59Å; P231-G246 WeakPolarHBondContact CA-O 3.38Å |
| 232 | T | 89.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -41.2 | 179 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | K185 H230 G246 E248 P286 V287 | K185-T232 PolarHBondContact NZ-O 3.01Å; H230-T232 PolarHBondContact O-N 3.3Å; T232-G246 PolarHBondContact N-O 3.06Å; T232-G246 PolarHBondContact OG1-O 3.36Å; T232-E248 HydrophobicContact CG2-CB 4.48Å; T232-E248 HydrophobicContact CG2-CG 3.56Å; T232-P286 HydrophobicContact CG2-CB 4.38Å; T232-V287 WeakPolarHBondContact CB-O 3.32Å; T232-V287 PolarHBondContact OG1-O 2.98Å |
| 233 | C | 90.4 | Very high | 87.6 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163.6 | -173.6 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | G246 | C233-G246 PolarHBondContact O-N 3.37Å |
| 234 | I | 93 | Very high | 88.2 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.9 | 177.8 | 63.8 | 177.6 | 0 | 0 | 0 | 110.3 | T186 E188 F197 L199 I205 L243 A244 V245 | T186-I234 HydrophobicContact CG2-CD1 4.11Å; T186-I234 HydrophobicContact CG2-CG1 3.79Å; E188-I234 HydrophobicContact CB-CD1 4.46Å; F197-I234 HydrophobicContact CB-CD1 4.17Å; L199-I234 HydrophobicContact CB-CD1 4.32Å; L199-I234 HydrophobicContact CB-CG2 4.25Å; L199-I234 HydrophobicContact CD2-CG2 4.45Å; I205-I234 HydrophobicContact CD1-CG2 3.61Å; I205-I234 HydrophobicContact CG1-CG2 4.22Å; I234-L243 HydrophobicContact CB-CD1 4.21Å; I234-A244 CarbonylContact C-O 3.58Å; I234-A244 VanDerWaalsContact CA-O 3.32Å; I234-A244 WeakPolarHBondContact CA-O 3.37Å; I234-V245 HydrophobicContact CG2-CG2 4.38Å |
| 235 | G | 92.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 128.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E188 A244 W292 | E188-G235 WeakPolarHBondContact OE2-CA 3.35Å; G235-A244 PolarHBondContact N-O 3.14Å; G235-A244 WeakPolarHBondContact O-CB 3.22Å; G235-A244 PolarHBondContact O-N 3.04Å; G235-W292 VanDerWaalsContact C-CD1 3.43Å; G235-W292 VanDerWaalsContact C-NE1 3.28Å; G235-W292 PolarHBondContact O-NE1 3.31Å |
| 236 | V | 92.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.1 | -172.9 | 179.1 | 0 | 0 | 0 | 0 | 112 | E188 F193 F197 N238 L243 | E188-V236 HydrophobicContact CB-CG2 4.28Å; E188-V236 HydrophobicContact CG-CB 4.22Å; E188-V236 HydrophobicContact CG-CG2 4.18Å; E188-V236 PolarHBondContact OE1-N 3.48Å; E188-V236 WeakPolarHBondContact OE2-CG2 3.46Å; E188-V236 PolarHBondContact OE2-N 2.86Å; F193-V236 HydrophobicContact CD2-CG1 4.36Å; F193-V236 HydrophobicContact CE2-CG1 3.99Å; F197-V236 HydrophobicContact CB-CG2 4.12Å; F197-V236 HydrophobicContact CD2-CB 4.47Å; F197-V236 HydrophobicContact CD2-CG1 4.18Å; F197-V236 HydrophobicContact CD2-CG2 3.43Å; F197-V236 VanDerWaalsContact CD2-CG2 3.43Å; F197-V236 HydrophobicContact CE2-CG1 4.08Å; F197-V236 HydrophobicContact CE2-CG2 4.01Å; F197-V236 HydrophobicContact CG-CG2 3.91Å; V236-N238 PolarHBondContact O-N 2.81Å; V236-L243 HydrophobicContact CG2-CD1 3.67Å |
| 237 | N | 93.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 91.6 | 173.6 | -164.1 | -39.6 | 0 | 0 | 0 | 110.2 | R239 F240 R241 T242 W292 G296 V313 | N237-R239 PolarHBondContact O-N 3.11Å; N237-R239 PolarHBondContact OD1-N 3.01Å; N237-F240 PolarHBondContact OD1-N 3.35Å; N237-R241 VanDerWaalsContact O-CA 3.28Å; N237-R241 WeakPolarHBondContact O-CA 3.35Å; N237-R241 PolarHBondContact O-N 3.29Å; N237-T242 WeakPolarHBondContact CB-O 3.38Å; N237-T242 VanDerWaalsContact CB-OG1 3.31Å; N237-T242 WeakPolarHBondContact CB-OG1 3.49Å; N237-T242 PolarHBondContact N-O 3.02Å; N237-T242 PolarHBondContact O-N 2.97Å; N237-W292 HydrophobicContact CB-CD2 3.85Å; N237-W292 HydrophobicContact CB-CE3 4.3Å; N237-W292 HydrophobicContact CB-CG 4.29Å; N237-W292 HydrophobicContact CB-CH2 4.36Å; N237-W292 HydrophobicContact CB-CZ2 3.9Å; N237-W292 WeakPolarHBondContact ND2-CZ3 3.48Å; N237-G296 PolarHBondContact ND2-O 3.42Å; N237-V313 VanDerWaalsContact ND2-CG2 3.35Å; N237-V313 WeakPolarHBondContact ND2-CG2 3.28Å |
| 238 | N | 89.9 | Confident | 90.3 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 26% | 0.257 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.3 | 179.1 | -87.1 | -73.3 | 0 | 0 | 0 | 113.3 | W189 S190 P191 T192 V236 C607 | W189-N238 PolarHBondContact O-ND2 3.27Å; W189-N238 VanDerWaalsContact O-ND2 3.14Å; S190-N238 VanDerWaalsContact CA-OD1 3.29Å; S190-N238 WeakPolarHBondContact CA-OD1 3.44Å; P191-N238 WeakPolarHBondContact CD-OD1 3.39Å; T192-N238 WeakPolarHBondContact CB-O 3.26Å; T192-N238 HydrophobicContact CG2-CB 4.4Å; T192-N238 WeakPolarHBondContact CG2-O 3.31Å; T192-N238 WeakPolarHBondContact OG1-CA 3.46Å; T192-N238 PolarHBondContact OG1-O 2.93Å; T192-N238 PolarHBondContact OG1-OD1 3.15Å; V236-N238 PolarHBondContact O-N 2.81Å; N238-C607 PolarHBondContact O-SG 2.95Å; N238-C607 VanDerWaalsContact O-SG 3.4Å |
| 239 | R | 91.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 19% | 0.185 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -45.3 | -177.2 | -169.5 | 180 | -167.1 | 177.3 | 1.8 | 113.3 | N237 D295 T411 C607 V608 | N237-R239 PolarHBondContact O-N 3.11Å; N237-R239 PolarHBondContact OD1-N 3.01Å; R239-D295 WeakPolarHBondContact CD-O 3.44Å; R239-D295 PolarHBondContact NH1-O 3.38Å; R239-D295 VanDerWaalsContact NH1-O 3.1Å; R239-T411 PolarHBondContact NH1-O 3.12Å; R239-C607 WeakPolarHBondContact O-CB 3.32Å; R239-V608 PolarHBondContact NH2-O 3.46Å |
| 240 | F | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0.9 | 179.8 | -70.3 | -91 | 0 | 0 | 0 | 113.5 | N237 T242 G296 Y297 V313 F314 V609 | N237-F240 PolarHBondContact OD1-N 3.35Å; F240-T242 VanDerWaalsContact C-N 3.3Å; F240-T242 PolarHBondContact O-N 3.33Å; F240-G296 VanDerWaalsContact CD2-O 3.24Å; F240-G296 WeakPolarHBondContact CD2-O 3.48Å; F240-G296 WeakPolarHBondContact CE2-O 3.27Å; F240-Y297 HydrophobicContact CE2-CD1 4.44Å; F240-Y297 HydrophobicContact CE2-CD2 4.01Å; F240-Y297 HydrophobicContact CE2-CE2 4.22Å; F240-Y297 HydrophobicContact CE2-CG 4.18Å; F240-Y297 HydrophobicContact CZ-CD1 4.1Å; F240-Y297 HydrophobicContact CZ-CD2 4.19Å; F240-Y297 AromaticContact CZ-CE1 3.95Å; F240-Y297 HydrophobicContact CZ-CE1 3.95Å; F240-Y297 HydrophobicContact CZ-CE2 4.03Å; F240-Y297 HydrophobicContact CZ-CG 4.27Å; F240-Y297 AromaticContact CZ-CZ 3.95Å; F240-V313 HydrophobicContact CB-CG2 3.76Å; F240-V313 HydrophobicContact CD1-CG1 4.2Å; F240-V313 HydrophobicContact CD1-CG2 4.25Å; F240-V313 HydrophobicContact CD2-CB 4.41Å; F240-V313 HydrophobicContact CD2-CG1 4.3Å; F240-V313 HydrophobicContact CD2-CG2 3.85Å; F240-V313 HydrophobicContact CE1-CG1 4.07Å; F240-V313 HydrophobicContact CE2-CG1 4.18Å; F240-V313 HydrophobicContact CG-CG1 4.31Å; F240-V313 HydrophobicContact CG-CG2 3.69Å; F240-V313 HydrophobicContact CZ-CG1 4.06Å; F240-F314 HydrophobicContact CB-CZ 4.41Å; F240-F314 AromaticContact CD1-CE2 4Å; F240-F314 HydrophobicContact CD1-CE2 4Å; F240-F314 AromaticContact CD1-CZ 3.75Å; F240-F314 HydrophobicContact CD1-CZ 3.75Å; F240-F314 HydrophobicContact CE1-CE2 4.27Å; F240-F314 HydrophobicContact CE1-CZ 4.47Å; F240-F314 HydrophobicContact CG-CZ 4.42Å; F240-V609 HydrophobicContact CD1-CG2 4.31Å; F240-V609 HydrophobicContact CE1-CG1 4.41Å; F240-V609 HydrophobicContact CE1-CG2 3.68Å; F240-V609 HydrophobicContact CZ-CG1 4.27Å; F240-V609 HydrophobicContact CZ-CG2 3.84Å |
| 241 | R | 91.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 21.9 Ų | 21.9 | 6% | 0.06 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 51.3 | -178.7 | -69.7 | 169.3 | 66.5 | -123.9 | 8.7 | 111.8 | T192 F193 N237 E259 A651 | T192-R241 PolarHBondContact O-NE 2.82Å; F193-R241 HydrophobicContact CE1-CB 4.45Å; F193-R241 HydrophobicContact CE2-CB 4.05Å; F193-R241 HydrophobicContact CE2-CG 4.21Å; F193-R241 HydrophobicContact CZ-CB 3.87Å; F193-R241 HydrophobicContact CZ-CG 4.46Å; F193-R241 WeakPolarHBondContact CZ-O 3.41Å; N237-R241 VanDerWaalsContact O-CA 3.28Å; N237-R241 WeakPolarHBondContact O-CA 3.35Å; N237-R241 PolarHBondContact O-N 3.29Å; R241-E259 IonicContact CZ-OE1 2.75Å; R241-E259 IonicContact NH1-OE1 2.74Å; R241-E259 PolarHBondContact NH1-OE1 2.95Å; R241-E259 IonicContact NH2-OE1 3.5Å; R241-E259 PolarHBondContact NH2-OE1 3.37Å; R241-A651 HydrophobicContact CB-CB 4.3Å; R241-A651 HydrophobicContact CG-CB 4.49Å |
| 242 | T | 93 | Very high | 91.3 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.2 | 172.1 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | N237 F240 Y255 K256 F314 | N237-T242 WeakPolarHBondContact CB-O 3.38Å; N237-T242 VanDerWaalsContact CB-OG1 3.31Å; N237-T242 WeakPolarHBondContact CB-OG1 3.49Å; N237-T242 PolarHBondContact N-O 3.02Å; N237-T242 PolarHBondContact O-N 2.97Å; F240-T242 VanDerWaalsContact C-N 3.3Å; F240-T242 PolarHBondContact O-N 3.33Å; T242-Y255 CarbonylContact C-O 3.57Å; T242-Y255 VanDerWaalsContact CA-O 3.3Å; T242-Y255 WeakPolarHBondContact CA-O 3.36Å; T242-K256 HydrophobicContact CG2-CB 4.26Å; T242-K256 HydrophobicContact CG2-CD 4.38Å; T242-K256 HydrophobicContact CG2-CG 4.43Å; T242-F314 HydrophobicContact CG2-CE1 4.16Å |
| 243 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.8 | 173.9 | 168.2 | 73.1 | 0 | 0 | 0 | 107.9 | F197 I205 V225 I234 V236 V245 L254 Y255 | F197-L243 HydrophobicContact CD1-CD1 4.15Å; F197-L243 HydrophobicContact CD1-CD2 3.96Å; F197-L243 HydrophobicContact CE1-CD1 4.49Å; F197-L243 HydrophobicContact CE1-CD2 3.89Å; F197-L243 HydrophobicContact CG-CD1 4.28Å; I205-L243 HydrophobicContact CG2-CD2 4.28Å; V225-L243 HydrophobicContact CG2-CD2 3.99Å; I234-L243 HydrophobicContact CB-CD1 4.21Å; V236-L243 HydrophobicContact CG2-CD1 3.67Å; L243-V245 HydrophobicContact CD1-CG2 4.48Å; L243-V245 HydrophobicContact CD2-CG2 3.94Å; L243-V245 HydrophobicContact CG-CG2 3.87Å; L243-L254 WeakPolarHBondContact O-CA 3.3Å; L243-Y255 PolarHBondContact N-O 3.21Å; L243-Y255 PolarHBondContact O-N 2.87Å |
| 244 | A | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | I234 G235 V252 L253 L254 I290 W292 L299 | I234-A244 CarbonylContact C-O 3.58Å; I234-A244 VanDerWaalsContact CA-O 3.32Å; I234-A244 WeakPolarHBondContact CA-O 3.37Å; G235-A244 PolarHBondContact N-O 3.14Å; G235-A244 WeakPolarHBondContact O-CB 3.22Å; G235-A244 PolarHBondContact O-N 3.04Å; A244-V252 HydrophobicContact CB-CG1 4.07Å; A244-L253 CarbonylContact C-O 3.54Å; A244-L253 WeakPolarHBondContact CA-O 3.36Å; A244-L254 HydrophobicContact CB-CD2 3.58Å; A244-I290 HydrophobicContact CB-CG2 3.96Å; A244-W292 HydrophobicContact CB-CZ2 3.94Å; A244-L299 HydrophobicContact CB-CD1 4.49Å; A244-L299 HydrophobicContact CB-CD2 3.88Å |
| 245 | V | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.7 | 177.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | I205 V228 P231 I234 L243 V252 L253 Y255 | I205-V245 HydrophobicContact CD1-CB 4.28Å; I205-V245 HydrophobicContact CD1-CG1 3.59Å; I205-V245 HydrophobicContact CD1-CG2 3.61Å; V228-V245 HydrophobicContact CG1-CG1 3.84Å; P231-V245 HydrophobicContact CB-CG1 3.56Å; I234-V245 HydrophobicContact CG2-CG2 4.38Å; L243-V245 HydrophobicContact CD1-CG2 4.48Å; L243-V245 HydrophobicContact CD2-CG2 3.94Å; L243-V245 HydrophobicContact CG-CG2 3.87Å; V245-V252 CarbonylContact O-C 3.49Å; V245-V252 WeakPolarHBondContact O-CA 3.35Å; V245-L253 PolarHBondContact N-O 3.45Å; V245-L253 PolarHBondContact O-N 2.78Å; V245-Y255 HydrophobicContact CB-CD2 4.49Å; V245-Y255 HydrophobicContact CB-CE2 4.07Å; V245-Y255 HydrophobicContact CG2-CD2 3.8Å; V245-Y255 HydrophobicContact CG2-CE2 3.69Å |
| 246 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P231 T232 C233 I290 | P231-G246 CarbonylContact C-O 3.59Å; P231-G246 WeakPolarHBondContact CA-O 3.38Å; T232-G246 PolarHBondContact N-O 3.06Å; T232-G246 PolarHBondContact OG1-O 3.36Å; C233-G246 PolarHBondContact O-N 3.37Å; G246-I290 VanDerWaalsContact CA-CD1 3.5Å |
| 247 | T | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 163.9 | -178.4 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | S249 N250 E251 L253 V287 | T247-S249 PolarHBondContact O-N 3.32Å; T247-S249 PolarHBondContact OG1-N 2.86Å; T247-S249 PolarHBondContact OG1-OG 2.93Å; T247-N250 PolarHBondContact O-N 3.4Å; T247-E251 PolarHBondContact N-O 3.49Å; T247-E251 PolarHBondContact OG1-N 3.27Å; T247-E251 PolarHBondContact OG1-O 2.85Å; T247-E251 VanDerWaalsContact OG1-O 3.1Å; T247-L253 HydrophobicContact CG2-CD1 3.9Å; T247-L253 HydrophobicContact CG2-CG 4.05Å; T247-V287 PolarHBondContact O-N 3.48Å |
| 248 | E | 88 | Confident | 90.7 | Very high | 122 Ų | 122 | 24.6 Ų | 24.6 | 57% | 0.57 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.6 | 165.7 | -68.3 | -177.2 | 178.1 | 0 | 0 | 113.6 | H230 T232 N250 | H230-E248 HydrophobicContact CB-CB 4.06Å; H230-E248 HydrophobicContact CB-CG 3.98Å; H230-E248 PolarHBondContact O-N 2.96Å; H230-E248 VanDerWaalsContact O-N 3.09Å; T232-E248 HydrophobicContact CG2-CB 4.48Å; T232-E248 HydrophobicContact CG2-CG 3.56Å; E248-N250 PolarHBondContact O-N 3.19Å; E248-N250 PolarHBondContact O-OD1 3.24Å |
| 249 | S | 84.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 27 Ų | 27 | 42% | 0.42 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 7.2 | 173.4 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | T247 E251 | T247-S249 PolarHBondContact O-N 3.32Å; T247-S249 PolarHBondContact OG1-N 2.86Å; T247-S249 PolarHBondContact OG1-OG 2.93Å; S249-E251 WeakPolarHBondContact CB-OE2 3.46Å; S249-E251 PolarHBondContact O-N 2.99Å; S249-E251 PolarHBondContact OG-OE2 3.5Å |
| 250 | N | 84.6 | Confident | 89.3 | Confident | 35 Ų | 35 | 32.4 Ų | 32.4 | 19% | 0.187 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 70.7 | 10.5 | -176.1 | -39.2 | -14.1 | 0 | 0 | 0 | 113.8 | T247 E248 T281 G285 P286 W303 | T247-N250 PolarHBondContact O-N 3.4Å; E248-N250 PolarHBondContact O-N 3.19Å; E248-N250 PolarHBondContact O-OD1 3.24Å; N250-T281 PolarHBondContact ND2-O 2.89Å; N250-G285 WeakPolarHBondContact CB-O 3.3Å; N250-G285 VanDerWaalsContact CG-C 3.42Å; N250-G285 PolarHBondContact OD1-O 2.82Å; N250-P286 WeakPolarHBondContact OD1-CA 3.45Å; N250-W303 PolarHBondContact O-NE1 3.45Å |
| 251 | E | 89.5 | Confident | 88.8 | Confident | 62 Ų | 62 | 35.2 Ų | 35.2 | 29% | 0.29 | 19% | 0.186 | S | C | . | . | trans | -101.6 | 161.2 | -176.8 | -63.4 | 169.8 | 123 | 0 | 0 | 111.1 | T247 S249 T269 L270 C271 V287 | T247-E251 PolarHBondContact N-O 3.49Å; T247-E251 PolarHBondContact OG1-N 3.27Å; T247-E251 PolarHBondContact OG1-O 2.85Å; T247-E251 VanDerWaalsContact OG1-O 3.1Å; S249-E251 WeakPolarHBondContact CB-OE2 3.46Å; S249-E251 PolarHBondContact O-N 2.99Å; S249-E251 PolarHBondContact OG-OE2 3.5Å; E251-T269 HydrophobicContact CB-CG2 4.28Å; E251-L270 WeakPolarHBondContact CA-O 3.39Å; E251-C271 HydrophobicContact CG-CB 4.11Å; E251-V287 WeakPolarHBondContact O-CG2 3.27Å | ||
| 252 | V | 93 | Very high | 88.2 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 119.7 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | A244 V245 L254 L270 V287 I290 L299 V301 | A244-V252 HydrophobicContact CB-CG1 4.07Å; V245-V252 CarbonylContact O-C 3.49Å; V245-V252 WeakPolarHBondContact O-CA 3.35Å; V252-L254 HydrophobicContact CG1-CD2 4.11Å; V252-L270 HydrophobicContact CB-CB 4.13Å; V252-L270 HydrophobicContact CB-CD1 4.25Å; V252-L270 HydrophobicContact CB-CG 4.34Å; V252-L270 HydrophobicContact CG1-CD1 4.35Å; V252-L270 PolarHBondContact N-O 3.5Å; V252-L270 PolarHBondContact O-N 3.39Å; V252-V287 HydrophobicContact CG2-CG1 4.3Å; V252-V287 HydrophobicContact CG2-CG2 4.02Å; V252-I290 HydrophobicContact CB-CD1 4.4Å; V252-I290 HydrophobicContact CG1-CD1 3.7Å; V252-I290 HydrophobicContact CG2-CD1 3.81Å; V252-I290 HydrophobicContact CG2-CG1 4.37Å; V252-L299 HydrophobicContact CG1-CD2 4.17Å; V252-V301 HydrophobicContact CG2-CB 4.49Å; V252-V301 HydrophobicContact CG2-CG1 3.65Å; V252-V301 HydrophobicContact CG2-CG2 3.96Å |
| 253 | L | 93.8 | Very high | 87.8 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.7 | 178.2 | -58.8 | 176 | 0 | 0 | 0 | 109.5 | A244 V245 T247 Y255 I266 T269 | A244-L253 CarbonylContact C-O 3.54Å; A244-L253 WeakPolarHBondContact CA-O 3.36Å; V245-L253 PolarHBondContact N-O 3.45Å; V245-L253 PolarHBondContact O-N 2.78Å; T247-L253 HydrophobicContact CG2-CD1 3.9Å; T247-L253 HydrophobicContact CG2-CG 4.05Å; L253-Y255 HydrophobicContact CB-CD2 4.26Å; L253-Y255 HydrophobicContact CB-CE2 3.63Å; L253-Y255 HydrophobicContact CD1-CE2 4.29Å; L253-I266 HydrophobicContact CD1-CD1 4.21Å; L253-I266 HydrophobicContact CD2-CD1 4.47Å; L253-I266 HydrophobicContact CD2-CG2 4.41Å; L253-T269 HydrophobicContact CD2-CG2 3.9Å; L253-T269 WeakPolarHBondContact CD2-OG1 3.47Å |
| 254 | L | 93.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.9 | 173.9 | -56.4 | -170.6 | 0 | 0 | 0 | 109.9 | L243 A244 V252 K267 H268 L270 W292 L299 V313 | L243-L254 WeakPolarHBondContact O-CA 3.3Å; A244-L254 HydrophobicContact CB-CD2 3.58Å; V252-L254 HydrophobicContact CG1-CD2 4.11Å; L254-K267 PolarHBondContact O-N 3.05Å; L254-H268 HydrophobicContact CB-CB 4.19Å; L254-H268 HydrophobicContact CD1-CB 4.15Å; L254-H268 HydrophobicContact CG-CB 4.33Å; L254-H268 PolarHBondContact N-O 2.99Å; L254-H268 PolarHBondContact O-N 2.98Å; L254-L270 HydrophobicContact CD1-CD1 4.22Å; L254-L270 HydrophobicContact CD1-CD2 4.18Å; L254-L270 HydrophobicContact CD1-CG 4.35Å; L254-L270 HydrophobicContact CD2-CD1 4.32Å; L254-L270 HydrophobicContact CG-CD1 4.32Å; L254-L270 HydrophobicContact CG-CG 4.27Å; L254-W292 HydrophobicContact CD2-CZ2 4.27Å; L254-L299 HydrophobicContact CD2-CD2 4.06Å; L254-V313 VanDerWaalsContact CD1-O 3.27Å; L254-V313 WeakPolarHBondContact CD1-O 3.44Å |
| 255 | Y | 92.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 141.8 | 174.6 | -63.6 | -106 | 0 | 0 | 0 | 110.5 | V225 N227 T242 L243 V245 L253 F264 K265 I266 | V225-Y255 HydrophobicContact CG1-CD1 3.67Å; V225-Y255 HydrophobicContact CG1-CE1 3.56Å; V225-Y255 HydrophobicContact CG1-CE2 4.5Å; V225-Y255 HydrophobicContact CG1-CG 4.2Å; N227-Y255 PolarHBondContact O-OH 3.32Å; T242-Y255 CarbonylContact C-O 3.57Å; T242-Y255 VanDerWaalsContact CA-O 3.3Å; T242-Y255 WeakPolarHBondContact CA-O 3.36Å; L243-Y255 PolarHBondContact N-O 3.21Å; L243-Y255 PolarHBondContact O-N 2.87Å; V245-Y255 HydrophobicContact CB-CD2 4.49Å; V245-Y255 HydrophobicContact CB-CE2 4.07Å; V245-Y255 HydrophobicContact CG2-CD2 3.8Å; V245-Y255 HydrophobicContact CG2-CE2 3.69Å; L253-Y255 HydrophobicContact CB-CD2 4.26Å; L253-Y255 HydrophobicContact CB-CE2 3.63Å; L253-Y255 HydrophobicContact CD1-CE2 4.29Å; Y255-F264 HydrophobicContact CD1-CB 4.18Å; Y255-K265 WeakPolarHBondContact CA-O 3.14Å; Y255-I266 HydrophobicContact CD1-CG1 3.78Å; Y255-I266 HydrophobicContact CE1-CD1 4.08Å; Y255-I266 HydrophobicContact CE1-CG1 3.32Å; Y255-I266 HydrophobicContact CE2-CG1 4.16Å; Y255-I266 HydrophobicContact CG-CG1 4.36Å |
| 256 | K | 89.2 | Confident | 86.8 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.4 | 165.1 | -172.1 | 162.4 | 177.1 | 171.5 | 0 | 109 | T242 K265 K267 A651 D653 | T242-K256 HydrophobicContact CG2-CB 4.26Å; T242-K256 HydrophobicContact CG2-CD 4.38Å; T242-K256 HydrophobicContact CG2-CG 4.43Å; K256-K265 PolarHBondContact N-O 3.22Å; K256-K265 PolarHBondContact O-N 3.17Å; K256-K267 HydrophobicContact CB-CG 3.97Å; K256-A651 PolarHBondContact NZ-O 3.32Å; K256-D653 WeakPolarHBondContact CE-OD2 3.42Å; K256-D653 IonicContact NZ-OD1 2.67Å; K256-D653 PolarHBondContact NZ-OD1 2.8Å; K256-D653 IonicContact NZ-OD2 3.11Å; K256-D653 PolarHBondContact NZ-OD2 2.88Å |
| 257 | M | 86.8 | Confident | 86.5 | Confident | 39 Ų | 39 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.5 | 174.6 | -168.4 | 177.5 | 75.3 | 0 | 0 | 109.5 | F193 E259 F264 | F193-M257 HydrophobicContact CD1-CE 4.41Å; F193-M257 HydrophobicContact CD1-SD 4.19Å; F193-M257 HydrophobicContact CE1-CB 4.02Å; M257-E259 PolarHBondContact O-N 3.2Å; M257-F264 HydrophobicContact CB-CD1 4.11Å; M257-F264 HydrophobicContact CB-CE1 3.75Å; M257-F264 HydrophobicContact CB-CE2 4.43Å; M257-F264 HydrophobicContact CB-CZ 3.91Å; M257-F264 HydrophobicContact CG-CE1 4.32Å; M257-F264 HydrophobicContact CG-CE2 4.12Å; M257-F264 HydrophobicContact CG-CZ 4Å; M257-F264 HydrophobicContact SD-CE2 4.1Å; M257-F264 HydrophobicContact SD-CZ 3.89Å |
| 258 | D | 82 | Confident | 86.3 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | trans | -83.6 | 109.4 | 172.8 | 169.7 | 19.7 | 0 | 0 | 0 | 109.7 | N260 S261 G262 V263 K265 | D258-N260 PolarHBondContact O-N 3.47Å; D258-N260 VanDerWaalsContact O-N 3.12Å; D258-N260 PolarHBondContact OD1-N 3.33Å; D258-S261 VanDerWaalsContact CG-OG 3.25Å; D258-S261 PolarHBondContact O-N 3.24Å; D258-S261 PolarHBondContact OD2-OG 2.89Å; D258-G262 PolarHBondContact O-N 2.89Å; D258-V263 PolarHBondContact N-O 3.35Å; D258-K265 HydrophobicContact CB-CD 4.15Å; D258-K265 IonicContact OD2-NZ 2.65Å; D258-K265 PolarHBondContact OD2-NZ 2.81Å | ||
| 259 | E | 75.7 | Confident | 86.4 | Confident | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.3 | -171.6 | -52.8 | -162.5 | 126 | 0 | 0 | 113.7 | R241 M257 | R241-E259 IonicContact CZ-OE1 2.75Å; R241-E259 IonicContact NH1-OE1 2.74Å; R241-E259 PolarHBondContact NH1-OE1 2.95Å; R241-E259 IonicContact NH2-OE1 3.5Å; R241-E259 PolarHBondContact NH2-OE1 3.37Å; M257-E259 PolarHBondContact O-N 3.2Å |
| 260 | N | 76.4 | Confident | 86.6 | Confident | 162 Ų | 162 | 47.4 Ų | 47.4 | 87% | 0.866 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.5 | 178.2 | -65.7 | -45.1 | 0 | 0 | 0 | 113.6 | D258 | D258-N260 PolarHBondContact O-N 3.47Å; D258-N260 VanDerWaalsContact O-N 3.12Å; D258-N260 PolarHBondContact OD1-N 3.33Å |
| 261 | S | 80.8 | Confident | 86.6 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -12.9 | -175.9 | 63.5 | 0 | 0 | 0 | 0 | 114.8 | D258 V263 | D258-S261 VanDerWaalsContact CG-OG 3.25Å; D258-S261 PolarHBondContact O-N 3.24Å; D258-S261 PolarHBondContact OD2-OG 2.89Å; S261-V263 PolarHBondContact O-N 2.9Å |
| 262 | G | 79.2 | Confident | 86 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | trans | 71.4 | -4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | D258 | D258-G262 PolarHBondContact O-N 2.89Š| ||
| 263 | V | 84.7 | Confident | 84.5 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | trans | -85.1 | 135.6 | -173.7 | -177.3 | 0 | 0 | 0 | 0 | 111 | D258 S261 | D258-V263 PolarHBondContact N-O 3.35Å; S261-V263 PolarHBondContact O-N 2.9Å | ||
| 264 | F | 88.4 | Confident | 82.3 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.8 | 171.6 | -73.3 | -91.5 | 0 | 0 | 0 | 110.8 | F193 F197 L207 I223 V225 Y255 M257 | F193-F264 HydrophobicContact CD1-CE1 4.26Å; F193-F264 HydrophobicContact CD1-CZ 4.01Å; F193-F264 AromaticContact CE1-CE1 3.67Å; F193-F264 HydrophobicContact CE1-CE1 3.67Å; F193-F264 AromaticContact CE1-CZ 3.89Å; F193-F264 HydrophobicContact CE1-CZ 3.89Å; F193-F264 HydrophobicContact CZ-CE1 4.38Å; F197-F264 AromaticContact CE1-CE1 3.71Å; F197-F264 HydrophobicContact CE1-CE1 3.71Å; F197-F264 HydrophobicContact CE1-CE2 4.29Å; F197-F264 AromaticContact CE1-CZ 3.6Å; F197-F264 HydrophobicContact CE1-CZ 3.6Å; F197-F264 AromaticContact CZ-CE1 3.58Å; F197-F264 HydrophobicContact CZ-CE1 3.58Å; F197-F264 AromaticContact CZ-CZ 3.5Å; F197-F264 HydrophobicContact CZ-CZ 3.5Å; L207-F264 HydrophobicContact CD2-CE2 4.17Å; L207-F264 HydrophobicContact CD2-CZ 3.95Å; I223-F264 HydrophobicContact CG2-CD2 4.23Å; I223-F264 HydrophobicContact CG2-CE2 4.08Å; V225-F264 HydrophobicContact CG1-CB 4.03Å; V225-F264 HydrophobicContact CG2-CB 4.34Å; V225-F264 HydrophobicContact CG2-CD2 4.15Å; V225-F264 HydrophobicContact CG2-CG 4.11Å; Y255-F264 HydrophobicContact CD1-CB 4.18Å; M257-F264 HydrophobicContact CB-CD1 4.11Å; M257-F264 HydrophobicContact CB-CE1 3.75Å; M257-F264 HydrophobicContact CB-CE2 4.43Å; M257-F264 HydrophobicContact CB-CZ 3.91Å; M257-F264 HydrophobicContact CG-CE1 4.32Å; M257-F264 HydrophobicContact CG-CE2 4.12Å; M257-F264 HydrophobicContact CG-CZ 4Å; M257-F264 HydrophobicContact SD-CE2 4.1Å; M257-F264 HydrophobicContact SD-CZ 3.89Å |
| 265 | K | 88.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.5 | -179.8 | -66.4 | 170.9 | -176.1 | 170.8 | 0 | 109.6 | Y255 K256 D258 K267 | Y255-K265 WeakPolarHBondContact CA-O 3.14Å; K256-K265 PolarHBondContact N-O 3.22Å; K256-K265 PolarHBondContact O-N 3.17Å; D258-K265 HydrophobicContact CB-CD 4.15Å; D258-K265 IonicContact OD2-NZ 2.65Å; D258-K265 PolarHBondContact OD2-NZ 2.81Å; K265-K267 PolarHBondContact O-N 3.44Å |
| 266 | I | 87.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 35% | 0.354 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.1 | 171 | -57.1 | 171.4 | 0 | 0 | 0 | 108 | L253 Y255 | L253-I266 HydrophobicContact CD1-CD1 4.21Å; L253-I266 HydrophobicContact CD2-CD1 4.47Å; L253-I266 HydrophobicContact CD2-CG2 4.41Å; Y255-I266 HydrophobicContact CD1-CG1 3.78Å; Y255-I266 HydrophobicContact CE1-CD1 4.08Å; Y255-I266 HydrophobicContact CE1-CG1 3.32Å; Y255-I266 HydrophobicContact CE2-CG1 4.16Å; Y255-I266 HydrophobicContact CG-CG1 4.36Å |
| 267 | K | 87.2 | Confident | 75.5 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -42.5 | 174.7 | -65.5 | -49.6 | -156.7 | 89.4 | 0 | 112.7 | L254 K256 K265 E692 | L254-K267 PolarHBondContact O-N 3.05Å; K256-K267 HydrophobicContact CB-CG 3.97Å; K265-K267 PolarHBondContact O-N 3.44Å; K267-E692 WeakPolarHBondContact CG-OE1 3.49Å; K267-E692 IonicContact NZ-OE1 2.67Å; K267-E692 PolarHBondContact NZ-OE1 2.8Å |
| 268 | H | 86.7 | Confident | 73.6 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 11% | 0.111 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.7 | 179.9 | -62.7 | -84.1 | 0 | 0 | 0 | 110.9 | L254 L270 E692 | L254-H268 HydrophobicContact CB-CB 4.19Å; L254-H268 HydrophobicContact CD1-CB 4.15Å; L254-H268 HydrophobicContact CG-CB 4.33Å; L254-H268 PolarHBondContact N-O 2.99Å; L254-H268 PolarHBondContact O-N 2.98Å; H268-L270 HydrophobicContact CB-CD2 4.39Å; H268-E692 IonicContact CD2-OE2 2.77Å; H268-E692 IonicContact CE1-OE2 3.61Å; H268-E692 IonicContact NE2-OE2 2.68Å; H268-E692 PolarHBondContact NE2-OE2 3.05Å |
| 269 | T | 90 | Very high | 72.1 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113 | 169 | -61.3 | 0 | 0 | 0 | 0 | 108 | E251 L253 | E251-T269 HydrophobicContact CB-CG2 4.28Å; L253-T269 HydrophobicContact CD2-CG2 3.9Å; L253-T269 WeakPolarHBondContact CD2-OG1 3.47Å |
| 270 | L | 88.7 | Confident | 71 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.5 | 177.4 | -44 | -176.2 | 0 | 0 | 0 | 108.7 | E251 V252 L254 H268 L299 W311 | E251-L270 WeakPolarHBondContact CA-O 3.39Å; V252-L270 HydrophobicContact CB-CB 4.13Å; V252-L270 HydrophobicContact CB-CD1 4.25Å; V252-L270 HydrophobicContact CB-CG 4.34Å; V252-L270 HydrophobicContact CG1-CD1 4.35Å; V252-L270 PolarHBondContact N-O 3.5Å; V252-L270 PolarHBondContact O-N 3.39Å; L254-L270 HydrophobicContact CD1-CD1 4.22Å; L254-L270 HydrophobicContact CD1-CD2 4.18Å; L254-L270 HydrophobicContact CD1-CG 4.35Å; L254-L270 HydrophobicContact CD2-CD1 4.32Å; L254-L270 HydrophobicContact CG-CD1 4.32Å; L254-L270 HydrophobicContact CG-CG 4.27Å; H268-L270 HydrophobicContact CB-CD2 4.39Å; L270-L299 HydrophobicContact CD1-CD2 4.02Å; L270-W311 HydrophobicContact CB-CD2 4.19Å; L270-W311 HydrophobicContact CB-CE3 4.25Å; L270-W311 HydrophobicContact CB-CH2 4.34Å; L270-W311 HydrophobicContact CB-CZ2 4.27Å; L270-W311 HydrophobicContact CB-CZ3 4.33Å; L270-W311 HydrophobicContact CD1-CB 4.05Å; L270-W311 HydrophobicContact CD1-CD2 4.03Å; L270-W311 HydrophobicContact CD1-CE3 4.44Å; L270-W311 HydrophobicContact CD1-CG 3.85Å; L270-W311 HydrophobicContact CD2-CE3 4.18Å |
| 271 | C | 84.5 | Confident | 70 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | trans | -142.3 | 136.7 | 178.2 | -175 | 0 | 0 | 0 | 0 | 109 | E251 S273 | E251-C271 HydrophobicContact CG-CB 4.11Å; C271-S273 PolarHBondContact O-N 3.12Å | ||
| 272 | I | 76 | Confident | 69.1 | Low | 35 Ų | 35 | 72.7 Ų | 72.7 | 18% | 0.179 | 40% | 0.395 | C | S | . | . | trans | -70.4 | 98.7 | 175.2 | -59.9 | 166.7 | 0 | 0 | 0 | 107.9 | G274 W303 W311 L322 | I272-G274 PolarHBondContact O-N 3.19Å; I272-W303 HydrophobicContact CD1-CE3 4.49Å; I272-W303 HydrophobicContact CD1-CH2 3.28Å; I272-W303 HydrophobicContact CD1-CZ2 3.73Å; I272-W303 HydrophobicContact CD1-CZ3 3.71Å; I272-W303 HydrophobicContact CG1-CH2 3.82Å; I272-W303 HydrophobicContact CG1-CZ2 4.1Å; I272-W311 HydrophobicContact CG1-CZ2 4.26Å; I272-L322 HydrophobicContact CD1-CD1 3.47Å; I272-L322 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 273 | S | 61.6 | Low | 68.5 | Low | 98 Ų | 98 | 77 Ų | 77 | 69% | 0.685 | 41% | 0.407 | S | S | * | . | trans | -67.3 | 104.8 | 180 | 59.6 | 0 | 0 | 0 | 0 | 111.1 | C271 R275 | C271-S273 PolarHBondContact O-N 3.12Å; S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3.37Å | ||
| 274 | G | 48.4 | Very low | 68 | Low | 43 Ų | 43 | 74.8 Ų | 74.8 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | trans | -70.3 | 71.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I272 E276 | I272-G274 PolarHBondContact O-N 3.19Å; G274-E276 PolarHBondContact O-N 3.5Å | ||
| 275 | R | 46.8 | Very low | 67.7 | Low | 243 Ų | 243 | 74.5 Ų | 74.5 | 92% | 0.917 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -65.4 | -24.1 | 161.2 | -69.1 | -172 | 175.5 | -161.3 | -2.1 | 111.4 | S273 | S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3.37Å |
| 276 | E | 42.6 | Very low | 67.6 | Low | 90 Ų | 90 | 71.7 Ų | 71.7 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -100.5 | 68.8 | 175.8 | -69.1 | 169.7 | -152.7 | 0 | 0 | 112 | G274 T280 E324 | G274-E276 PolarHBondContact O-N 3.5Å; E276-T280 WeakPolarHBondContact O-CG2 3.48Å; E276-E324 HydrophobicContact CG-CG 4.26Å; E276-E324 WeakPolarHBondContact OE2-CA 3.32Å; E276-E324 WeakPolarHBondContact OE2-CG 3.41Å; E276-E324 PolarHBondContact OE2-N 3.2Å |
| 277 | S | 42.5 | Very low | 67.7 | Low | 66 Ų | 66 | 68.5 Ų | 68.5 | 46% | 0.462 | 37% | 0.367 | S | S | . | . | trans | 67.2 | 139.3 | 175.5 | 81 | 0 | 0 | 0 | 0 | 117.6 | H279 T280 | S277-H279 PolarHBondContact O-N 3.44Å; S277-T280 PolarHBondContact O-N 3.13Å; S277-T280 PolarHBondContact O-OG1 3.33Å | ||
| 278 | S | 47 | Very low | 67.8 | Low | 87 Ų | 87 | 65.9 Ų | 65.9 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -12.6 | 177 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | T280 | S278-T280 PolarHBondContact O-N 3.47Š|
| 279 | H | 50.3 | Low | 67.8 | Low | 123 Ų | 123 | 67.2 Ų | 67.2 | 57% | 0.569 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 3.6 | 178.7 | -57.2 | -55.5 | 0 | 0 | 0 | 114.1 | S277 K283 | S277-H279 PolarHBondContact O-N 3.44Å; H279-K283 WeakPolarHBondContact O-CD 3.5Å |
| 280 | T | 53 | Low | 67.9 | Low | 24 Ų | 24 | 64.2 Ų | 64.2 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -51.1 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | E276 S277 S278 E282 K283 L326 | E276-T280 WeakPolarHBondContact O-CG2 3.48Å; S277-T280 PolarHBondContact O-N 3.13Å; S277-T280 PolarHBondContact O-OG1 3.33Å; S278-T280 PolarHBondContact O-N 3.47Å; T280-E282 PolarHBondContact O-N 3.31Å; T280-K283 PolarHBondContact O-N 2.61Å; T280-K283 VanDerWaalsContact O-N 3.12Å; T280-L326 HydrophobicContact CG2-CD1 4.22Å; T280-L326 HydrophobicContact CG2-CD2 4.08Å |
| 281 | T | 56.6 | Low | 68 | Low | 59 Ų | 59 | 65.2 Ų | 65.2 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | -171 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | N250 K283 V284 | N250-T281 PolarHBondContact ND2-O 2.89Å; T281-K283 PolarHBondContact O-N 2.91Å; T281-V284 PolarHBondContact O-N 3.41Å |
| 282 | E | 60.9 | Low | 68.4 | Low | 143 Ų | 143 | 63.9 Ų | 63.9 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.2 | -25.5 | 178.7 | -63.4 | -175.9 | 149.5 | 0 | 0 | 113.8 | T280 R305 | T280-E282 PolarHBondContact O-N 3.31Å; E282-R305 PolarHBondContact O-NH1 2.94Å |
| 283 | K | 66.4 | Low | 69.2 | Low | 119 Ų | 119 | 62.3 Ų | 62.3 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -84.6 | -30.6 | -176.1 | -66 | -175.6 | 179.5 | -175.6 | 0 | 113.3 | H279 T280 T281 G285 R305 L326 | H279-K283 WeakPolarHBondContact O-CD 3.5Å; T280-K283 PolarHBondContact O-N 2.61Å; T280-K283 VanDerWaalsContact O-N 3.12Å; T281-K283 PolarHBondContact O-N 2.91Å; K283-G285 PolarHBondContact O-N 3.09Å; K283-R305 VanDerWaalsContact O-CB 3.27Å; K283-R305 WeakPolarHBondContact O-CB 3.44Å; K283-R305 VanDerWaalsContact O-CD 3.32Å; K283-R305 WeakPolarHBondContact O-CD 3.31Å; K283-L326 HydrophobicContact CB-CD2 4.34Å; K283-L326 HydrophobicContact CD-CD2 4.2Å |
| 284 | V | 75.7 | Confident | 70.5 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | -173.9 | 171.1 | 0 | 0 | 0 | 0 | 112 | T281 W303 R305 S306 L322 | T281-V284 PolarHBondContact O-N 3.41Å; V284-W303 HydrophobicContact CG1-CB 3.36Å; V284-W303 HydrophobicContact CG1-CD2 3.44Å; V284-W303 VanDerWaalsContact CG1-CD2 3.44Å; V284-W303 HydrophobicContact CG1-CE3 3.96Å; V284-W303 HydrophobicContact CG1-CG 3.17Å; V284-W303 WeakPolarHBondContact O-CB 3.48Å; V284-R305 WeakPolarHBondContact O-CB 3.44Å; V284-R305 PolarHBondContact O-N 3.42Å; V284-S306 PolarHBondContact O-N 3.01Å; V284-L322 HydrophobicContact CG1-CD1 4.18Å; V284-L322 HydrophobicContact CG2-CD1 3.61Å; V284-L322 HydrophobicContact CG2-CD2 4.03Å; V284-L322 HydrophobicContact CG2-CG 4.44Å |
| 285 | G | 80.7 | Confident | 72.4 | Confident | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | trans | 76.7 | 175.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N250 K283 W303 | N250-G285 WeakPolarHBondContact CB-O 3.3Å; N250-G285 VanDerWaalsContact CG-C 3.42Å; N250-G285 PolarHBondContact OD1-O 2.82Å; K283-G285 PolarHBondContact O-N 3.09Å; G285-W303 VanDerWaalsContact O-CD1 3.22Å | ||
| 286 | P | 87.4 | Confident | 74.5 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -63.2 | 154.3 | -170.8 | 28.1 | -37.4 | 0 | 0 | 0 | 111.5 | T232 N250 S288 L304 | T232-P286 HydrophobicContact CG2-CB 4.38Å; N250-P286 WeakPolarHBondContact OD1-CA 3.45Å; P286-S288 PolarHBondContact O-N 3.32Å; P286-L304 HydrophobicContact CG-CB 4.03Å; P286-L304 HydrophobicContact CG-CD2 3.84Å; P286-L304 WeakPolarHBondContact O-CB 3.48Å; P286-L304 PolarHBondContact O-N 3.49Å |
| 287 | V | 89.6 | Confident | 76.9 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 124.5 | 176.3 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | T232 T247 E251 V252 I290 V301 | T232-V287 WeakPolarHBondContact CB-O 3.32Å; T232-V287 PolarHBondContact OG1-O 2.98Å; T247-V287 PolarHBondContact O-N 3.48Å; E251-V287 WeakPolarHBondContact O-CG2 3.27Å; V252-V287 HydrophobicContact CG2-CG1 4.3Å; V252-V287 HydrophobicContact CG2-CG2 4.02Å; V287-I290 HydrophobicContact CG1-CD1 4.03Å; V287-I290 HydrophobicContact CG1-CG1 3.73Å; V287-V301 HydrophobicContact CG1-CG1 3.8Å |
| 288 | S | 88.2 | Confident | 79.4 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -42.4 | -179.4 | 39.1 | 0 | 0 | 0 | 0 | 112.4 | P286 V302 W303 L304 | P286-S288 PolarHBondContact O-N 3.32Å; S288-V302 PolarHBondContact N-O 3.21Å; S288-V302 PolarHBondContact OG-O 3.16Å; S288-W303 VanDerWaalsContact OG-C 3.29Å; S288-L304 PolarHBondContact OG-N 2.89Å |
| 289 | E | 87 | Confident | 81.7 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 146.2 | -176.2 | -171.3 | 175.7 | -156 | 0 | 0 | 110.5 | V302 N336 L337 | E289-V302 HydrophobicContact CB-CB 4.38Å; E289-V302 PolarHBondContact N-O 3.02Å; E289-V302 PolarHBondContact O-N 3.16Å; E289-N336 VanDerWaalsContact OE2-CA 3.28Å; E289-N336 WeakPolarHBondContact OE2-CA 3.42Å; E289-L337 PolarHBondContact OE2-N 2.9Å |
| 290 | I | 92.2 | Very high | 83.7 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 176.1 | -68.1 | 174.6 | 0 | 0 | 0 | 107 | A244 G246 V252 V287 L299 A300 | A244-I290 HydrophobicContact CB-CG2 3.96Å; G246-I290 VanDerWaalsContact CA-CD1 3.5Å; V252-I290 HydrophobicContact CB-CD1 4.4Å; V252-I290 HydrophobicContact CG1-CD1 3.7Å; V252-I290 HydrophobicContact CG2-CD1 3.81Å; V252-I290 HydrophobicContact CG2-CG1 4.37Å; V287-I290 HydrophobicContact CG1-CD1 4.03Å; V287-I290 HydrophobicContact CG1-CG1 3.73Å; I290-L299 HydrophobicContact CG2-CD1 3.29Å; I290-L299 HydrophobicContact CG2-CD2 4.11Å; I290-L299 HydrophobicContact CG2-CG 3.98Å; I290-A300 WeakPolarHBondContact CA-O 3.41Å |
| 291 | S | 91.1 | Very high | 85.6 | Confident | 31 Ų | 31 | 29.5 Ų | 29.5 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 120.5 | 179.9 | -158.5 | 0 | 0 | 0 | 0 | 111.6 | A300 W339 | S291-A300 PolarHBondContact N-O 2.87Å; S291-A300 WeakPolarHBondContact O-CB 3.32Å; S291-A300 PolarHBondContact O-N 2.66Å; S291-W339 PolarHBondContact O-NE1 2.91Å |
| 292 | W | 92.7 | Very high | 87.3 | Confident | 28 Ų | 28 | 26.7 Ų | 26.7 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 143 | 176.3 | -75 | 104.7 | 0 | 0 | 0 | 111.6 | G235 N237 A244 L254 L299 V313 W339 | G235-W292 VanDerWaalsContact C-CD1 3.43Å; G235-W292 VanDerWaalsContact C-NE1 3.28Å; G235-W292 PolarHBondContact O-NE1 3.31Å; N237-W292 HydrophobicContact CB-CD2 3.85Å; N237-W292 HydrophobicContact CB-CE3 4.3Å; N237-W292 HydrophobicContact CB-CG 4.29Å; N237-W292 HydrophobicContact CB-CH2 4.36Å; N237-W292 HydrophobicContact CB-CZ2 3.9Å; N237-W292 WeakPolarHBondContact ND2-CZ3 3.48Å; A244-W292 HydrophobicContact CB-CZ2 3.94Å; L254-W292 HydrophobicContact CD2-CZ2 4.27Å; W292-L299 HydrophobicContact CD2-CB 4.45Å; W292-L299 HydrophobicContact CD2-CD1 3.5Å; W292-L299 VanDerWaalsContact CD2-CD1 3.5Å; W292-L299 HydrophobicContact CD2-CG 4.48Å; W292-L299 HydrophobicContact CE3-CB 3.95Å; W292-L299 HydrophobicContact CE3-CD1 3.87Å; W292-L299 HydrophobicContact CE3-CG 4.46Å; W292-L299 HydrophobicContact CG-CD1 3.82Å; W292-L299 HydrophobicContact CH2-CB 4.07Å; W292-L299 HydrophobicContact CH2-CD1 4.33Å; W292-L299 HydrophobicContact CH2-CD2 4.12Å; W292-L299 HydrophobicContact CH2-CG 4.41Å; W292-L299 HydrophobicContact CZ2-CD1 4.01Å; W292-L299 HydrophobicContact CZ2-CD2 4.04Å; W292-L299 HydrophobicContact CZ2-CG 4.43Å; W292-L299 HydrophobicContact CZ3-CB 3.74Å; W292-L299 HydrophobicContact CZ3-CD1 4.26Å; W292-L299 HydrophobicContact CZ3-CG 4.42Å; W292-V313 HydrophobicContact CH2-CB 4.31Å; W292-V313 HydrophobicContact CH2-CG2 3.86Å; W292-V313 HydrophobicContact CZ3-CB 3.94Å; W292-V313 HydrophobicContact CZ3-CG2 3.82Å; W292-W339 VanDerWaalsContact O-CD1 3.3Å |
| 293 | S | 92.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | trans | -62.7 | 145.6 | 168.1 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | D295 G296 Y297 T298 | S293-D295 WeakPolarHBondContact CB-OD1 3.46Å; S293-D295 PolarHBondContact O-N 2.92Å; S293-D295 PolarHBondContact OG-OD1 3.31Å; S293-G296 PolarHBondContact O-N 2.97Å; S293-Y297 PolarHBondContact OG-N 3.48Å; S293-T298 WeakPolarHBondContact CB-O 3.37Å; S293-T298 PolarHBondContact N-O 3.13Å; S293-T298 PolarHBondContact OG-N 3.16Å; S293-T298 PolarHBondContact OG-O 2.86Å | ||
| 294 | P | 87.9 | Confident | 89.4 | Confident | 62 Ų | 62 | 19.1 Ų | 19.1 | 40% | 0.403 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.9 | -177.3 | -28.3 | 36.8 | 0 | 0 | 0 | 115.5 | W339 H341 | P294-W339 HydrophobicContact CG-CB 4.29Å; P294-H341 WeakPolarHBondContact CB-O 3.5Å; P294-H341 WeakPolarHBondContact CG-O 3.47Å |
| 295 | D | 89.1 | Confident | 89.5 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -1.2 | 175.2 | 76.9 | -19.8 | 0 | 0 | 0 | 114.7 | H2 R239 S293 Y297 R407 T411 | H2-D295 IonicContact CE1-OD1 2.79Å; H2-D295 PolarHBondContact CE1-OD1 3.39Å; H2-D295 IonicContact CE1-OD2 2.61Å; R239-D295 WeakPolarHBondContact CD-O 3.44Å; R239-D295 PolarHBondContact NH1-O 3.38Å; R239-D295 VanDerWaalsContact NH1-O 3.1Å; S293-D295 WeakPolarHBondContact CB-OD1 3.46Å; S293-D295 PolarHBondContact O-N 2.92Å; S293-D295 PolarHBondContact OG-OD1 3.31Å; D295-Y297 VanDerWaalsContact C-N 3.32Å; D295-Y297 HydrophobicContact CB-CD2 4.46Å; D295-Y297 WeakPolarHBondContact O-CD2 3.3Å; D295-Y297 PolarHBondContact O-N 2.88Å; D295-Y297 PolarHBondContact OD1-N 3.28Å; D295-Y297 VanDerWaalsContact OD1-N 3.07Å; D295-R407 IonicContact OD2-CZ 3.81Å; D295-R407 IonicContact OD2-NE 3.12Å; D295-R407 PolarHBondContact OD2-NE 3.16Å; D295-R407 IonicContact OD2-NH2 3.98Å; D295-R407 PolarHBondContact OD2-NH2 3.06Å; D295-T411 VanDerWaalsContact OD2-CB 3.26Å; D295-T411 WeakPolarHBondContact OD2-CB 3.32Å; D295-T411 PolarHBondContact OD2-OG1 3.16Å |
| 296 | G | 91.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 76.5 | 0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | N237 F240 S293 | N237-G296 PolarHBondContact ND2-O 3.42Å; F240-G296 VanDerWaalsContact CD2-O 3.24Å; F240-G296 WeakPolarHBondContact CD2-O 3.48Å; F240-G296 WeakPolarHBondContact CE2-O 3.27Å; S293-G296 PolarHBondContact O-N 2.97Å |
| 297 | Y | 92.9 | Very high | 89 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -89.1 | -13.2 | -172.4 | -88.1 | -91.2 | 0 | 0 | 0 | 115.6 | M1 F240 S293 D295 V313 T411 V609 E694 | M1-Y297 WeakPolarHBondContact CE-O 3.34Å; M1-Y297 HydrophobicContact SD-CD1 3.62Å; M1-Y297 HydrophobicContact SD-CE1 4.44Å; M1-Y297 HydrophobicContact SD-CG 4.28Å; F240-Y297 HydrophobicContact CE2-CD1 4.44Å; F240-Y297 HydrophobicContact CE2-CD2 4.01Å; F240-Y297 HydrophobicContact CE2-CE2 4.22Å; F240-Y297 HydrophobicContact CE2-CG 4.18Å; F240-Y297 HydrophobicContact CZ-CD1 4.1Å; F240-Y297 HydrophobicContact CZ-CD2 4.19Å; F240-Y297 AromaticContact CZ-CE1 3.95Å; F240-Y297 HydrophobicContact CZ-CE1 3.95Å; F240-Y297 HydrophobicContact CZ-CE2 4.03Å; F240-Y297 HydrophobicContact CZ-CG 4.27Å; F240-Y297 AromaticContact CZ-CZ 3.95Å; S293-Y297 PolarHBondContact OG-N 3.48Å; D295-Y297 VanDerWaalsContact C-N 3.32Å; D295-Y297 HydrophobicContact CB-CD2 4.46Å; D295-Y297 WeakPolarHBondContact O-CD2 3.3Å; D295-Y297 PolarHBondContact O-N 2.88Å; D295-Y297 PolarHBondContact OD1-N 3.28Å; D295-Y297 VanDerWaalsContact OD1-N 3.07Å; Y297-V313 PolarHBondContact O-N 3.32Å; Y297-T411 HydrophobicContact CD1-CG2 3.71Å; Y297-T411 VanDerWaalsContact CD2-CB 3.45Å; Y297-T411 HydrophobicContact CD2-CG2 3.58Å; Y297-T411 HydrophobicContact CE1-CG2 3.69Å; Y297-T411 HydrophobicContact CE2-CG2 3.57Å; Y297-T411 HydrophobicContact CG-CG2 3.6Å; Y297-V609 WeakPolarHBondContact OH-CG1 3.38Å; Y297-E694 HydrophobicContact CE1-CB 4.5Å; Y297-E694 WeakPolarHBondContact CE1-O 3.41Å |
| 298 | T | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 135.5 | -172.1 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | H2 S293 L310 W311 L318 W339 | H2-T298 WeakPolarHBondContact ND1-CB 3.4Å; H2-T298 PolarHBondContact ND1-OG1 2.88Å; S293-T298 WeakPolarHBondContact CB-O 3.37Å; S293-T298 PolarHBondContact N-O 3.13Å; S293-T298 PolarHBondContact OG-N 3.16Å; S293-T298 PolarHBondContact OG-O 2.86Å; T298-L310 HydrophobicContact CG2-CB 4.07Å; T298-L310 HydrophobicContact CG2-CD2 4.06Å; T298-W311 CarbonylContact C-O 3.6Å; T298-W311 VanDerWaalsContact CA-O 3.23Å; T298-W311 WeakPolarHBondContact CA-O 3.36Å; T298-W311 WeakPolarHBondContact CG2-O 3.36Å; T298-L318 HydrophobicContact CG2-CD1 3.98Å; T298-W339 HydrophobicContact CG2-CH2 3.75Å; T298-W339 HydrophobicContact CG2-CZ2 3.9Å |
| 299 | L | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.4 | 176.5 | -171.7 | 57.7 | 0 | 0 | 0 | 109.6 | A244 V252 L254 L270 I290 W292 V301 L310 W311 | A244-L299 HydrophobicContact CB-CD1 4.49Å; A244-L299 HydrophobicContact CB-CD2 3.88Å; V252-L299 HydrophobicContact CG1-CD2 4.17Å; L254-L299 HydrophobicContact CD2-CD2 4.06Å; L270-L299 HydrophobicContact CD1-CD2 4.02Å; I290-L299 HydrophobicContact CG2-CD1 3.29Å; I290-L299 HydrophobicContact CG2-CD2 4.11Å; I290-L299 HydrophobicContact CG2-CG 3.98Å; W292-L299 HydrophobicContact CD2-CB 4.45Å; W292-L299 HydrophobicContact CD2-CD1 3.5Å; W292-L299 VanDerWaalsContact CD2-CD1 3.5Å; W292-L299 HydrophobicContact CD2-CG 4.48Å; W292-L299 HydrophobicContact CE3-CB 3.95Å; W292-L299 HydrophobicContact CE3-CD1 3.87Å; W292-L299 HydrophobicContact CE3-CG 4.46Å; W292-L299 HydrophobicContact CG-CD1 3.82Å; W292-L299 HydrophobicContact CH2-CB 4.07Å; W292-L299 HydrophobicContact CH2-CD1 4.33Å; W292-L299 HydrophobicContact CH2-CD2 4.12Å; W292-L299 HydrophobicContact CH2-CG 4.41Å; W292-L299 HydrophobicContact CZ2-CD1 4.01Å; W292-L299 HydrophobicContact CZ2-CD2 4.04Å; W292-L299 HydrophobicContact CZ2-CG 4.43Å; W292-L299 HydrophobicContact CZ3-CB 3.74Å; W292-L299 HydrophobicContact CZ3-CD1 4.26Å; W292-L299 HydrophobicContact CZ3-CG 4.42Å; L299-V301 HydrophobicContact CD2-CG2 4.11Å; L299-V301 HydrophobicContact CG-CG2 3.97Å; L299-L310 CarbonylContact O-C 3.59Å; L299-L310 WeakPolarHBondContact O-CA 3.48Å; L299-W311 HydrophobicContact CB-CB 4.41Å; L299-W311 PolarHBondContact N-O 2.81Å; L299-W311 PolarHBondContact O-N 2.99Å |
| 300 | A | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | I290 S291 S309 L310 L337 W339 | I290-A300 WeakPolarHBondContact CA-O 3.41Å; S291-A300 PolarHBondContact N-O 2.87Å; S291-A300 WeakPolarHBondContact O-CB 3.32Å; S291-A300 PolarHBondContact O-N 2.66Å; A300-S309 WeakPolarHBondContact CA-O 3.39Å; A300-L310 HydrophobicContact CB-CD2 3.81Å; A300-L337 HydrophobicContact CB-CD2 3.49Å; A300-L337 VanDerWaalsContact CB-CD2 3.49Å; A300-W339 HydrophobicContact CB-CZ2 4.1Å |
| 301 | V | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.7 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V252 V287 L299 W303 W308 S309 | V252-V301 HydrophobicContact CG2-CB 4.49Å; V252-V301 HydrophobicContact CG2-CG1 3.65Å; V252-V301 HydrophobicContact CG2-CG2 3.96Å; V287-V301 HydrophobicContact CG1-CG1 3.8Å; L299-V301 HydrophobicContact CD2-CG2 4.11Å; L299-V301 HydrophobicContact CG-CG2 3.97Å; V301-W303 HydrophobicContact CG1-CD2 4.43Å; V301-W303 HydrophobicContact CG1-CH2 4.28Å; V301-W303 HydrophobicContact CG1-CZ2 3.86Å; V301-W308 CarbonylContact O-C 3.51Å; V301-W308 VanDerWaalsContact O-CA 3.22Å; V301-W308 WeakPolarHBondContact O-CA 3.4Å; V301-W308 WeakPolarHBondContact O-CB 3.31Å; V301-S309 PolarHBondContact N-O 3.45Å; V301-S309 PolarHBondContact O-N 3.19Å |
| 302 | V | 90.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139 | -179.7 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | S288 E289 W308 I334 L337 | S288-V302 PolarHBondContact N-O 3.21Å; S288-V302 PolarHBondContact OG-O 3.16Å; E289-V302 HydrophobicContact CB-CB 4.38Å; E289-V302 PolarHBondContact N-O 3.02Å; E289-V302 PolarHBondContact O-N 3.16Å; V302-W308 HydrophobicContact CG2-CB 4.12Å; V302-I334 HydrophobicContact CG1-CB 3.64Å; V302-I334 HydrophobicContact CG1-CD1 4.39Å; V302-I334 HydrophobicContact CG1-CG2 3.75Å; V302-I334 HydrophobicContact CG2-CG2 4.38Å; V302-L337 HydrophobicContact CG2-CB 3.72Å; V302-L337 HydrophobicContact CG2-CD1 3.93Å; V302-L337 HydrophobicContact CG2-CD2 4.16Å; V302-L337 HydrophobicContact CG2-CG 4.14Å |
| 303 | W | 88 | Confident | 89.2 | Confident | 6 Ų | 6 | 17.7 Ų | 17.7 | 2% | 0.023 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.8 | 178.1 | -62.2 | -88.8 | 0 | 0 | 0 | 112.8 | N250 I272 V284 G285 S288 V301 R305 G307 S309 L322 | N250-W303 PolarHBondContact O-NE1 3.45Å; I272-W303 HydrophobicContact CD1-CE3 4.49Å; I272-W303 HydrophobicContact CD1-CH2 3.28Å; I272-W303 HydrophobicContact CD1-CZ2 3.73Å; I272-W303 HydrophobicContact CD1-CZ3 3.71Å; I272-W303 HydrophobicContact CG1-CH2 3.82Å; I272-W303 HydrophobicContact CG1-CZ2 4.1Å; V284-W303 HydrophobicContact CG1-CB 3.36Å; V284-W303 HydrophobicContact CG1-CD2 3.44Å; V284-W303 VanDerWaalsContact CG1-CD2 3.44Å; V284-W303 HydrophobicContact CG1-CE3 3.96Å; V284-W303 HydrophobicContact CG1-CG 3.17Å; V284-W303 WeakPolarHBondContact O-CB 3.48Å; G285-W303 VanDerWaalsContact O-CD1 3.22Å; S288-W303 VanDerWaalsContact OG-C 3.29Å; V301-W303 HydrophobicContact CG1-CD2 4.43Å; V301-W303 HydrophobicContact CG1-CH2 4.28Å; V301-W303 HydrophobicContact CG1-CZ2 3.86Å; W303-R305 VanDerWaalsContact C-N 3.31Å; W303-R305 PolarHBondContact O-N 3.48Å; W303-G307 PolarHBondContact N-O 2.99Å; W303-S309 WeakPolarHBondContact CH2-OG 3.4Å; W303-S309 WeakPolarHBondContact CZ3-OG 3.44Å; W303-L322 HydrophobicContact CE3-CD1 4.04Å; W303-L322 HydrophobicContact CZ3-CD1 3.93Å |
| 304 | L | 83.7 | Confident | 89.1 | Confident | 97 Ų | 97 | 17.7 Ų | 17.7 | 51% | 0.508 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -61.8 | -31.5 | -164.6 | -175.2 | 64.8 | 0 | 0 | 0 | 114.5 | P286 S288 N333 | P286-L304 HydrophobicContact CG-CB 4.03Å; P286-L304 HydrophobicContact CG-CD2 3.84Å; P286-L304 WeakPolarHBondContact O-CB 3.48Å; P286-L304 PolarHBondContact O-N 3.49Å; S288-L304 PolarHBondContact OG-N 2.89Å; L304-N333 PolarHBondContact O-ND2 3.09Å |
| 305 | R | 77.8 | Confident | 89 | Confident | 141 Ų | 141 | 15 Ų | 15 | 53% | 0.532 | 7% | 0.072 | S | C | . | . | S | Bend | trans | -97.9 | -43.9 | -176.3 | -59.9 | 175.4 | 177.6 | 167.5 | -1 | 113 | E282 K283 V284 W303 N333 | E282-R305 PolarHBondContact O-NH1 2.94Å; K283-R305 VanDerWaalsContact O-CB 3.27Å; K283-R305 WeakPolarHBondContact O-CB 3.44Å; K283-R305 VanDerWaalsContact O-CD 3.32Å; K283-R305 WeakPolarHBondContact O-CD 3.31Å; V284-R305 WeakPolarHBondContact O-CB 3.44Å; V284-R305 PolarHBondContact O-N 3.42Å; W303-R305 VanDerWaalsContact C-N 3.31Å; W303-R305 PolarHBondContact O-N 3.48Å; R305-N333 PolarHBondContact O-ND2 3.34Å |
| 306 | S | 77.4 | Confident | 89 | Confident | 7 Ų | 7 | 15.3 Ų | 15.3 | 5% | 0.049 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -161.3 | 134.7 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | V284 | V284-S306 PolarHBondContact O-N 3.01Š|
| 307 | G | 80.6 | Confident | 88.8 | Confident | 10 Ų | 10 | 18.3 Ų | 18.3 | 10% | 0.103 | 9% | 0.091 | C | C | . | . | trans | 89 | 171 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | W303 S321 | W303-G307 PolarHBondContact N-O 2.99Å; G307-S321 WeakPolarHBondContact CA-OG 3.25Å | ||
| 308 | W | 86.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 167.3 | -179.5 | 68 | -70.1 | 0 | 0 | 0 | 111.2 | L4 V301 V302 L310 Y319 S321 I334 L337 I346 F403 | L4-W308 HydrophobicContact CD1-CH2 4.2Å; L4-W308 HydrophobicContact CD1-CZ2 4.41Å; L4-W308 HydrophobicContact CD2-CH2 4.17Å; V301-W308 CarbonylContact O-C 3.51Å; V301-W308 VanDerWaalsContact O-CA 3.22Å; V301-W308 WeakPolarHBondContact O-CA 3.4Å; V301-W308 WeakPolarHBondContact O-CB 3.31Å; V302-W308 HydrophobicContact CG2-CB 4.12Å; W308-L310 HydrophobicContact CE3-CD2 4.43Å; W308-L310 HydrophobicContact CE3-CG 4.42Å; W308-L310 HydrophobicContact CZ3-CD1 4.17Å; W308-L310 HydrophobicContact CZ3-CD2 3.89Å; W308-L310 HydrophobicContact CZ3-CG 3.83Å; W308-Y319 HydrophobicContact CD2-CE1 4.17Å; W308-Y319 AromaticContact CE2-CE1 3.69Å; W308-Y319 HydrophobicContact CE3-CD1 4.47Å; W308-Y319 HydrophobicContact CE3-CE1 4.48Å; W308-Y319 HydrophobicContact CH2-CD1 4.17Å; W308-Y319 HydrophobicContact CH2-CE1 4.01Å; W308-Y319 HydrophobicContact CZ2-CD1 4.24Å; W308-Y319 AromaticContact CZ2-CE1 3.62Å; W308-Y319 HydrophobicContact CZ2-CE1 3.62Å; W308-Y319 HydrophobicContact CZ3-CD1 4.27Å; W308-Y319 HydrophobicContact CZ3-CE1 4.41Å; W308-S321 PolarHBondContact N-OG 2.73Å; W308-S321 PolarHBondContact O-N 3.37Å; W308-S321 PolarHBondContact O-OG 3.27Å; W308-I334 HydrophobicContact CB-CD1 3.83Å; W308-I334 HydrophobicContact CG-CD1 3.77Å; W308-L337 HydrophobicContact CD2-CD1 4.27Å; W308-L337 HydrophobicContact CE3-CD1 4.1Å; W308-I346 HydrophobicContact CZ3-CD1 4.08Å; W308-F403 HydrophobicContact CH2-CD1 4.42Å; W308-F403 HydrophobicContact CH2-CD2 4.13Å; W308-F403 HydrophobicContact CH2-CE2 4.39Å; W308-F403 HydrophobicContact CH2-CG 4.15Å; W308-F403 HydrophobicContact CZ2-CD1 4.02Å; W308-F403 AromaticContact CZ2-CD2 3.94Å; W308-F403 HydrophobicContact CZ2-CD2 3.94Å; W308-F403 AromaticContact CZ2-CE1 3.88Å; W308-F403 HydrophobicContact CZ2-CE1 3.88Å; W308-F403 AromaticContact CZ2-CE2 3.77Å; W308-F403 HydrophobicContact CZ2-CE2 3.77Å; W308-F403 HydrophobicContact CZ2-CG 4.07Å; W308-F403 AromaticContact CZ2-CZ 3.75Å; W308-F403 HydrophobicContact CZ2-CZ 3.75Å |
| 309 | S | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161.5 | -178.1 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | A300 V301 W303 W311 Y319 | A300-S309 WeakPolarHBondContact CA-O 3.39Å; V301-S309 PolarHBondContact N-O 3.45Å; V301-S309 PolarHBondContact O-N 3.19Å; W303-S309 WeakPolarHBondContact CH2-OG 3.4Å; W303-S309 WeakPolarHBondContact CZ3-OG 3.44Å; S309-W311 PolarHBondContact OG-NE1 3.39Å; S309-Y319 CarbonylContact C-O 3.6Å; S309-Y319 WeakPolarHBondContact CA-O 3.44Å; S309-Y319 VanDerWaalsContact CB-O 3.22Å; S309-Y319 WeakPolarHBondContact CB-O 3.49Å |
| 310 | L | 91.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128 | 168.3 | -62.1 | 174.6 | 0 | 0 | 0 | 109 | T298 L299 A300 W308 L318 Y319 W339 I346 L405 | T298-L310 HydrophobicContact CG2-CB 4.07Å; T298-L310 HydrophobicContact CG2-CD2 4.06Å; L299-L310 CarbonylContact O-C 3.59Å; L299-L310 WeakPolarHBondContact O-CA 3.48Å; A300-L310 HydrophobicContact CB-CD2 3.81Å; W308-L310 HydrophobicContact CE3-CD2 4.43Å; W308-L310 HydrophobicContact CE3-CG 4.42Å; W308-L310 HydrophobicContact CZ3-CD1 4.17Å; W308-L310 HydrophobicContact CZ3-CD2 3.89Å; W308-L310 HydrophobicContact CZ3-CG 3.83Å; L310-L318 HydrophobicContact CB-CB 4.26Å; L310-L318 WeakPolarHBondContact O-CA 3.38Å; L310-L318 WeakPolarHBondContact O-CB 3.42Å; L310-L318 PolarHBondContact O-N 2.75Å; L310-Y319 PolarHBondContact N-O 2.65Å; L310-Y319 PolarHBondContact O-N 2.83Å; L310-Y319 VanDerWaalsContact O-N 3.1Å; L310-W339 HydrophobicContact CD2-CH2 4.11Å; L310-W339 HydrophobicContact CD2-CZ2 3.86Å; L310-I346 HydrophobicContact CD2-CD1 3.84Å; L310-L405 HydrophobicContact CD1-CD2 4.12Å |
| 311 | W | 92.5 | Very high | 86.7 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 6% | 0.057 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.1 | 176.8 | -58.1 | 81.1 | 0 | 0 | 0 | 110.6 | L270 I272 T298 L299 S309 A316 L317 | L270-W311 HydrophobicContact CB-CD2 4.19Å; L270-W311 HydrophobicContact CB-CE3 4.25Å; L270-W311 HydrophobicContact CB-CH2 4.34Å; L270-W311 HydrophobicContact CB-CZ2 4.27Å; L270-W311 HydrophobicContact CB-CZ3 4.33Å; L270-W311 HydrophobicContact CD1-CB 4.05Å; L270-W311 HydrophobicContact CD1-CD2 4.03Å; L270-W311 HydrophobicContact CD1-CE3 4.44Å; L270-W311 HydrophobicContact CD1-CG 3.85Å; L270-W311 HydrophobicContact CD2-CE3 4.18Å; I272-W311 HydrophobicContact CG1-CZ2 4.26Å; T298-W311 CarbonylContact C-O 3.6Å; T298-W311 VanDerWaalsContact CA-O 3.23Å; T298-W311 WeakPolarHBondContact CA-O 3.36Å; T298-W311 WeakPolarHBondContact CG2-O 3.36Å; L299-W311 HydrophobicContact CB-CB 4.41Å; L299-W311 PolarHBondContact N-O 2.81Å; L299-W311 PolarHBondContact O-N 2.99Å; S309-W311 PolarHBondContact OG-NE1 3.39Å; W311-A316 CarbonylContact C-O 3.44Å; W311-A316 WeakPolarHBondContact CA-O 3Å; W311-L317 HydrophobicContact CD2-CD1 3.9Å; W311-L317 HydrophobicContact CE3-CB 4Å; W311-L317 HydrophobicContact CE3-CD1 4.09Å; W311-L317 HydrophobicContact CH2-CB 4.34Å; W311-L317 HydrophobicContact CH2-CD1 4.01Å; W311-L317 HydrophobicContact CZ2-CD1 3.8Å; W311-L317 HydrophobicContact CZ3-CB 3.85Å; W311-L317 HydrophobicContact CZ3-CD1 4.15Å |
| 312 | S | 92.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 164.5 | 164.9 | 84.8 | 0 | 0 | 0 | 0 | 111 | M1 F314 G315 A316 E694 | M1-S312 VanDerWaalsContact CE-CB 3.44Å; S312-F314 PolarHBondContact O-N 3.34Å; S312-G315 PolarHBondContact O-N 3.37Å; S312-G315 PolarHBondContact OG-N 3.02Å; S312-A316 PolarHBondContact N-O 3.45Å; S312-A316 WeakPolarHBondContact OG-CB 3.39Å; S312-A316 PolarHBondContact OG-N 3.32Å; S312-E694 WeakPolarHBondContact CB-OE1 3.4Å; S312-E694 WeakPolarHBondContact CB-OE2 3.44Å; S312-E694 PolarHBondContact OG-OE1 3.23Å; S312-E694 PolarHBondContact OG-OE2 3.13Å |
| 313 | V | 93.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.3 | -177.4 | 59.8 | 0 | 0 | 0 | 0 | 114 | N237 F240 L254 W292 Y297 E694 | N237-V313 VanDerWaalsContact ND2-CG2 3.35Å; N237-V313 WeakPolarHBondContact ND2-CG2 3.28Å; F240-V313 HydrophobicContact CB-CG2 3.76Å; F240-V313 HydrophobicContact CD1-CG1 4.2Å; F240-V313 HydrophobicContact CD1-CG2 4.25Å; F240-V313 HydrophobicContact CD2-CB 4.41Å; F240-V313 HydrophobicContact CD2-CG1 4.3Å; F240-V313 HydrophobicContact CD2-CG2 3.85Å; F240-V313 HydrophobicContact CE1-CG1 4.07Å; F240-V313 HydrophobicContact CE2-CG1 4.18Å; F240-V313 HydrophobicContact CG-CG1 4.31Å; F240-V313 HydrophobicContact CG-CG2 3.69Å; F240-V313 HydrophobicContact CZ-CG1 4.06Å; L254-V313 VanDerWaalsContact CD1-O 3.27Å; L254-V313 WeakPolarHBondContact CD1-O 3.44Å; W292-V313 HydrophobicContact CH2-CB 4.31Å; W292-V313 HydrophobicContact CH2-CG2 3.86Å; W292-V313 HydrophobicContact CZ3-CB 3.94Å; W292-V313 HydrophobicContact CZ3-CG2 3.82Å; Y297-V313 PolarHBondContact O-N 3.32Å; V313-E694 HydrophobicContact CG1-CG 3.76Å; V313-E694 PolarHBondContact N-OE1 3.48Å |
| 314 | F | 91 | Very high | 82.6 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 34.3 | 170.7 | -51.8 | -53.6 | 0 | 0 | 0 | 112.1 | F240 T242 S312 E692 E694 A736 | F240-F314 HydrophobicContact CB-CZ 4.41Å; F240-F314 AromaticContact CD1-CE2 4Å; F240-F314 HydrophobicContact CD1-CE2 4Å; F240-F314 AromaticContact CD1-CZ 3.75Å; F240-F314 HydrophobicContact CD1-CZ 3.75Å; F240-F314 HydrophobicContact CE1-CE2 4.27Å; F240-F314 HydrophobicContact CE1-CZ 4.47Å; F240-F314 HydrophobicContact CG-CZ 4.42Å; T242-F314 HydrophobicContact CG2-CE1 4.16Å; S312-F314 PolarHBondContact O-N 3.34Å; F314-E692 HydrophobicContact CD1-CB 4.05Å; F314-E692 HydrophobicContact CD1-CG 4.07Å; F314-E692 HydrophobicContact CD2-CB 4.07Å; F314-E692 WeakPolarHBondContact CD2-O 3.28Å; F314-E692 HydrophobicContact CE1-CB 4.18Å; F314-E692 HydrophobicContact CE1-CG 3.98Å; F314-E692 HydrophobicContact CE2-CB 4.23Å; F314-E692 HydrophobicContact CG-CB 4.01Å; F314-E692 HydrophobicContact CZ-CB 4.28Å; F314-E692 HydrophobicContact CZ-CG 4.37Å; F314-E694 HydrophobicContact CB-CG 4.48Å; F314-E694 HydrophobicContact CD2-CG 3.51Å; F314-E694 HydrophobicContact CE2-CG 4.16Å; F314-E694 HydrophobicContact CG-CG 4.39Å; F314-E694 PolarHBondContact N-OE1 3.48Å; F314-A736 WeakPolarHBondContact O-CB 3.24Å; F314-A736 PolarHBondContact O-N 3.44Å |
| 315 | G | 86.9 | Confident | 80.9 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | trans | 88.9 | 12.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | S312 | S312-G315 PolarHBondContact O-N 3.37Å; S312-G315 PolarHBondContact OG-N 3.02Å | ||
| 316 | A | 87.1 | Confident | 79.4 | Confident | 15 Ų | 15 | 25 Ų | 25 | 12% | 0.124 | 14% | 0.136 | C | C | . | . | trans | -71.4 | 130.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W311 S312 L318 Y733 Y797 | W311-A316 CarbonylContact C-O 3.44Å; W311-A316 WeakPolarHBondContact CA-O 3Å; S312-A316 PolarHBondContact N-O 3.45Å; S312-A316 WeakPolarHBondContact OG-CB 3.39Å; S312-A316 PolarHBondContact OG-N 3.32Å; A316-L318 PolarHBondContact O-N 3.35Å; A316-Y733 WeakPolarHBondContact CB-OH 3.4Å; A316-Y797 HydrophobicContact CB-CD2 4.37Å | ||
| 317 | L | 87.7 | Confident | 78 | Confident | 68 Ų | 68 | 29.9 Ų | 29.9 | 36% | 0.356 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.8 | 175 | -175.9 | 62.8 | 0 | 0 | 0 | 109.9 | W311 Y319 T320 | W311-L317 HydrophobicContact CD2-CD1 3.9Å; W311-L317 HydrophobicContact CE3-CB 4Å; W311-L317 HydrophobicContact CE3-CD1 4.09Å; W311-L317 HydrophobicContact CH2-CB 4.34Å; W311-L317 HydrophobicContact CH2-CD1 4.01Å; W311-L317 HydrophobicContact CZ2-CD1 3.8Å; W311-L317 HydrophobicContact CZ3-CB 3.85Å; W311-L317 HydrophobicContact CZ3-CD1 4.15Å; L317-Y319 VanDerWaalsContact CD1-O 3.3Å; L317-Y319 WeakPolarHBondContact CD1-O 3.41Å; L317-T320 HydrophobicContact CD2-CG2 4.12Å |
| 318 | L | 86 | Confident | 76.5 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -32.7 | 179.3 | -52.2 | 177.7 | 0 | 0 | 0 | 112 | M1 T298 L310 A316 Y797 | M1-L318 HydrophobicContact CE-CD1 3.83Å; M1-L318 HydrophobicContact CE-CD2 4.38Å; T298-L318 HydrophobicContact CG2-CD1 3.98Å; L310-L318 HydrophobicContact CB-CB 4.26Å; L310-L318 WeakPolarHBondContact O-CA 3.38Å; L310-L318 WeakPolarHBondContact O-CB 3.42Å; L310-L318 PolarHBondContact O-N 2.75Å; A316-L318 PolarHBondContact O-N 3.35Å; L318-Y797 HydrophobicContact CD2-CD2 3.51Å; L318-Y797 HydrophobicContact CD2-CE2 4.13Å; L318-Y797 HydrophobicContact CD2-CG 4.16Å |
| 319 | Y | 85 | Confident | 74.7 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.2 | 176.8 | 173.1 | -115.3 | 0 | 0 | 0 | 111.1 | L4 W308 S309 L310 L317 F815 | L4-Y319 HydrophobicContact CD1-CD1 3.71Å; L4-Y319 HydrophobicContact CD1-CD2 4.12Å; L4-Y319 HydrophobicContact CD1-CE1 3.72Å; L4-Y319 HydrophobicContact CD1-CE2 4.12Å; L4-Y319 HydrophobicContact CD1-CG 3.9Å; W308-Y319 HydrophobicContact CD2-CE1 4.17Å; W308-Y319 AromaticContact CE2-CE1 3.69Å; W308-Y319 HydrophobicContact CE3-CD1 4.47Å; W308-Y319 HydrophobicContact CE3-CE1 4.48Å; W308-Y319 HydrophobicContact CH2-CD1 4.17Å; W308-Y319 HydrophobicContact CH2-CE1 4.01Å; W308-Y319 HydrophobicContact CZ2-CD1 4.24Å; W308-Y319 AromaticContact CZ2-CE1 3.62Å; W308-Y319 HydrophobicContact CZ2-CE1 3.62Å; W308-Y319 HydrophobicContact CZ3-CD1 4.27Å; W308-Y319 HydrophobicContact CZ3-CE1 4.41Å; S309-Y319 CarbonylContact C-O 3.6Å; S309-Y319 WeakPolarHBondContact CA-O 3.44Å; S309-Y319 VanDerWaalsContact CB-O 3.22Å; S309-Y319 WeakPolarHBondContact CB-O 3.49Å; L310-Y319 PolarHBondContact N-O 2.65Å; L310-Y319 PolarHBondContact O-N 2.83Å; L310-Y319 VanDerWaalsContact O-N 3.1Å; L317-Y319 VanDerWaalsContact CD1-O 3.3Å; L317-Y319 WeakPolarHBondContact CD1-O 3.41Å; Y319-F815 HydrophobicContact CD2-CD2 4.15Å; Y319-F815 AromaticContact CD2-CE1 3.91Å; Y319-F815 HydrophobicContact CD2-CE1 3.91Å; Y319-F815 AromaticContact CD2-CE2 3.32Å; Y319-F815 HydrophobicContact CD2-CE2 3.32Å; Y319-F815 AromaticContact CD2-CZ 3.16Å; Y319-F815 HydrophobicContact CD2-CZ 3.16Å; Y319-F815 HydrophobicContact CE2-CD1 4.08Å; Y319-F815 HydrophobicContact CE2-CD2 4.02Å; Y319-F815 AromaticContact CE2-CE1 3.65Å; Y319-F815 HydrophobicContact CE2-CE1 3.65Å; Y319-F815 AromaticContact CE2-CE2 3.61Å; Y319-F815 HydrophobicContact CE2-CE2 3.61Å; Y319-F815 HydrophobicContact CE2-CG 4.24Å; Y319-F815 AromaticContact CE2-CZ 3.39Å; Y319-F815 HydrophobicContact CE2-CZ 3.39Å; Y319-F815 HydrophobicContact CG-CE2 4.48Å; Y319-F815 HydrophobicContact CG-CZ 4.09Å |
| 320 | T | 82.8 | Confident | 72.9 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139.8 | 163.3 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | L317 L322 | L317-T320 HydrophobicContact CD2-CG2 4.12Å; T320-L322 WeakPolarHBondContact CG2-O 3.11Å; T320-L322 PolarHBondContact O-N 3.3Å; T320-L322 WeakPolarHBondContact OG1-CB 3.44Å; T320-L322 PolarHBondContact OG1-N 3.09Å |
| 321 | S | 78.5 | Confident | 71.2 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -76.6 | -7 | 169.1 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | G307 W308 | G307-S321 WeakPolarHBondContact CA-OG 3.25Å; W308-S321 PolarHBondContact N-OG 2.73Å; W308-S321 PolarHBondContact O-N 3.37Å; W308-S321 PolarHBondContact O-OG 3.27Å |
| 322 | L | 72.7 | Confident | 69.9 | Low | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | trans | -100.7 | 87.7 | -174.7 | -62.3 | 158.3 | 0 | 0 | 0 | 109.3 | I272 V284 W303 T320 L326 | I272-L322 HydrophobicContact CD1-CD1 3.47Å; I272-L322 VanDerWaalsContact CD1-CD1 3.47Å; V284-L322 HydrophobicContact CG1-CD1 4.18Å; V284-L322 HydrophobicContact CG2-CD1 3.61Å; V284-L322 HydrophobicContact CG2-CD2 4.03Å; V284-L322 HydrophobicContact CG2-CG 4.44Å; W303-L322 HydrophobicContact CE3-CD1 4.04Å; W303-L322 HydrophobicContact CZ3-CD1 3.93Å; T320-L322 WeakPolarHBondContact CG2-O 3.11Å; T320-L322 PolarHBondContact O-N 3.3Å; T320-L322 WeakPolarHBondContact OG1-CB 3.44Å; T320-L322 PolarHBondContact OG1-N 3.09Å; L322-L326 HydrophobicContact CB-CD1 4.07Å; L322-L326 HydrophobicContact CD2-CD1 3.84Å; L322-L326 HydrophobicContact CD2-CG 4.2Å | ||
| 323 | S | 61.8 | Low | 69 | Low | 53 Ų | 53 | 45.3 Ų | 45.3 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -142.5 | 134.5 | 177.9 | 163 | 0 | 0 | 0 | 0 | 110 | H325 | S323-H325 PolarHBondContact O-N 3.17Š|
| 324 | E | 50.3 | Low | 68.2 | Low | 143 Ų | 143 | 45.7 Ų | 45.7 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 33.8 | -37.7 | 177.3 | -69.2 | -155.6 | 133.5 | 0 | 0 | 120.6 | E276 | E276-E324 HydrophobicContact CG-CG 4.26Å; E276-E324 WeakPolarHBondContact OE2-CA 3.32Å; E276-E324 WeakPolarHBondContact OE2-CG 3.41Å; E276-E324 PolarHBondContact OE2-N 3.2Å |
| 325 | H | 48.3 | Very low | 67.2 | Low | 64 Ų | 64 | 48.2 Ų | 48.2 | 30% | 0.296 | 28% | 0.277 | S | S | . | . | trans | -109.4 | 42.4 | -173.6 | -60.2 | -8.1 | 0 | 0 | 0 | 112.3 | S323 S327 R328 W819 | S323-H325 PolarHBondContact O-N 3.17Å; H325-S327 PolarHBondContact O-N 3.43Å; H325-R328 PolarHBondContact O-N 2.98Å; H325-R328 VanDerWaalsContact O-N 3.09Å; H325-W819 AromaticContact NE2-CZ2 3.68Å | ||
| 326 | L | 45.6 | Very low | 66.7 | Low | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -51.2 | -29.9 | 179.1 | -121.2 | 84.8 | 0 | 0 | 0 | 113.4 | T280 K283 L322 R328 F329 G330 | T280-L326 HydrophobicContact CG2-CD1 4.22Å; T280-L326 HydrophobicContact CG2-CD2 4.08Å; K283-L326 HydrophobicContact CB-CD2 4.34Å; K283-L326 HydrophobicContact CD-CD2 4.2Å; L322-L326 HydrophobicContact CB-CD1 4.07Å; L322-L326 HydrophobicContact CD2-CD1 3.84Å; L322-L326 HydrophobicContact CD2-CG 4.2Å; L326-R328 PolarHBondContact O-N 3.32Å; L326-R328 VanDerWaalsContact O-N 3.11Å; L326-F329 PolarHBondContact O-N 3.44Å; L326-F329 VanDerWaalsContact O-N 3.11Å; L326-G330 PolarHBondContact O-N 3.4Å |
| 327 | S | 48.2 | Very low | 66.5 | Low | 108 Ų | 108 | 48.9 Ų | 48.9 | 76% | 0.755 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -59.9 | -17.6 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | H325 | H325-S327 PolarHBondContact O-N 3.43Š|
| 328 | R | 48.7 | Very low | 66.4 | Low | 184 Ų | 184 | 46.8 Ų | 46.8 | 69% | 0.694 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -100.7 | -8.3 | 176.9 | -63.1 | -173.7 | -177.3 | 170.9 | 3.2 | 114.3 | H325 L326 | H325-R328 PolarHBondContact O-N 2.98Å; H325-R328 VanDerWaalsContact O-N 3.09Å; L326-R328 PolarHBondContact O-N 3.32Å; L326-R328 VanDerWaalsContact O-N 3.11Å |
| 329 | F | 49.3 | Very low | 66.4 | Low | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -6.9 | -174.1 | -78.9 | -96.8 | 0 | 0 | 0 | 114.2 | L326 G331 I332 R817 L837 | L326-F329 PolarHBondContact O-N 3.44Å; L326-F329 VanDerWaalsContact O-N 3.11Å; F329-G331 PolarHBondContact O-N 2.98Å; F329-I332 HydrophobicContact CD1-CD1 3.76Å; F329-I332 HydrophobicContact CE1-CD1 3.99Å; F329-I332 PolarHBondContact O-N 3Å; F329-I332 VanDerWaalsContact O-N 3.14Å; F329-R817 VanDerWaalsContact CE2-CZ 3.49Å; F329-L837 WeakPolarHBondContact CE1-O 3.25Å; F329-L837 WeakPolarHBondContact CZ-O 3.44Å |
| 330 | G | 51.6 | Low | 66.4 | Low | 62 Ų | 62 | 45.3 Ų | 45.3 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 9.9 | -178 | 0 | 0 | 0 | 0 | 0 | 117.1 | L326 | L326-G330 PolarHBondContact O-N 3.4Š|
| 331 | G | 55.8 | Low | 66.1 | Low | 25 Ų | 25 | 47.6 Ų | 47.6 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 10.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F329 N353 | F329-G331 PolarHBondContact O-N 2.98Å; G331-N353 PolarHBondContact O-N 3.28Å |
| 332 | I | 65.4 | Low | 66.3 | Low | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 101.3 | -179.8 | -44 | -172.2 | 0 | 0 | 0 | 109.4 | F329 F350 L352 L837 | F329-I332 HydrophobicContact CD1-CD1 3.76Å; F329-I332 HydrophobicContact CE1-CD1 3.99Å; F329-I332 PolarHBondContact O-N 3Å; F329-I332 VanDerWaalsContact O-N 3.14Å; I332-F350 HydrophobicContact CG2-CB 4.45Å; I332-F350 HydrophobicContact CG2-CD1 3.65Å; I332-F350 HydrophobicContact CG2-CE1 4.47Å; I332-L352 HydrophobicContact CD1-CD1 4.4Å; I332-L352 HydrophobicContact CG1-CD1 3.89Å; I332-L837 HydrophobicContact CD1-CB 4.22Å; I332-L837 HydrophobicContact CD1-CD1 4.31Å; I332-L837 HydrophobicContact CD1-CD2 4.21Å; I332-L837 HydrophobicContact CD1-CG 4.48Å |
| 333 | N | 72 | Confident | 66.9 | Low | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.203 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 147.9 | 171.9 | -66.3 | 70.3 | 0 | 0 | 0 | 109.5 | L304 R305 F350 T351 N353 | L304-N333 PolarHBondContact O-ND2 3.09Å; R305-N333 PolarHBondContact O-ND2 3.34Å; N333-F350 WeakPolarHBondContact O-CA 3.42Å; N333-T351 PolarHBondContact N-O 3.18Å; N333-T351 VanDerWaalsContact N-O 3.12Å; N333-T351 PolarHBondContact O-N 3.24Å; N333-N353 PolarHBondContact OD1-ND2 3.4Å |
| 334 | I | 76.7 | Confident | 68.1 | Low | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.7 | 170.9 | -61.6 | 165.1 | 0 | 0 | 0 | 106.2 | V302 W308 L337 L349 F350 | V302-I334 HydrophobicContact CG1-CB 3.64Å; V302-I334 HydrophobicContact CG1-CD1 4.39Å; V302-I334 HydrophobicContact CG1-CG2 3.75Å; V302-I334 HydrophobicContact CG2-CG2 4.38Å; W308-I334 HydrophobicContact CB-CD1 3.83Å; W308-I334 HydrophobicContact CG-CD1 3.77Å; I334-L337 HydrophobicContact CG2-CB 4.24Å; I334-L337 HydrophobicContact CG2-CD1 4.39Å; I334-L349 VanDerWaalsContact CA-O 3.31Å; I334-L349 WeakPolarHBondContact CA-O 3.47Å; I334-F350 HydrophobicContact CD1-CD1 4.3Å; I334-F350 HydrophobicContact CD1-CE1 3.52Å; I334-F350 HydrophobicContact CD1-CZ 3.79Å; I334-F350 HydrophobicContact CG1-CD1 3.75Å; I334-F350 HydrophobicContact CG1-CE1 3.46Å; I334-F350 VanDerWaalsContact CG1-CE1 3.46Å; I334-F350 HydrophobicContact CG1-CG 4.43Å; I334-F350 HydrophobicContact CG1-CZ 3.89Å |
| 335 | S | 71 | Confident | 69.9 | Low | 56 Ų | 56 | 39.5 Ų | 39.5 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -30.2 | -175.2 | 67 | 0 | 0 | 0 | 0 | 114.1 | L349 | S335-L349 PolarHBondContact N-O 3.47Å; S335-L349 WeakPolarHBondContact OG-CD2 3.35Å |
| 336 | N | 75.9 | Confident | 71.8 | Confident | 34 Ų | 34 | 36.4 Ų | 36.4 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.4 | 177.6 | -77.8 | -44.2 | 0 | 0 | 0 | 109 | S21 V23 E289 G348 L349 | S21-N336 PolarHBondContact O-ND2 3.19Å; V23-N336 HydrophobicContact CG2-CB 4.33Å; E289-N336 VanDerWaalsContact OE2-CA 3.28Å; E289-N336 WeakPolarHBondContact OE2-CA 3.42Å; N336-G348 WeakPolarHBondContact O-CA 3.42Å; N336-L349 PolarHBondContact O-N 3.06Å |
| 337 | L | 83.7 | Confident | 73.7 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 110.7 | 179.2 | -174.1 | 133.1 | 0 | 0 | 0 | 111.3 | E289 A300 V302 W308 I334 I346 L347 | E289-L337 PolarHBondContact OE2-N 2.9Å; A300-L337 HydrophobicContact CB-CD2 3.49Å; A300-L337 VanDerWaalsContact CB-CD2 3.49Å; V302-L337 HydrophobicContact CG2-CB 3.72Å; V302-L337 HydrophobicContact CG2-CD1 3.93Å; V302-L337 HydrophobicContact CG2-CD2 4.16Å; V302-L337 HydrophobicContact CG2-CG 4.14Å; W308-L337 HydrophobicContact CD2-CD1 4.27Å; W308-L337 HydrophobicContact CE3-CD1 4.1Å; I334-L337 HydrophobicContact CG2-CB 4.24Å; I334-L337 HydrophobicContact CG2-CD1 4.39Å; L337-I346 HydrophobicContact CD1-CG2 3.81Å; L337-I346 HydrophobicContact CD2-CG2 3.81Å; L337-I346 HydrophobicContact CG-CG2 3.58Å; L337-L347 CarbonylContact C-O 3.58Å; L337-L347 WeakPolarHBondContact CA-O 3.49Å |
| 338 | S | 84 | Confident | 75.2 | Confident | 23 Ų | 23 | 30 Ų | 30 | 16% | 0.161 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.2 | -171.3 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | L347 | S338-L347 PolarHBondContact N-O 3.06Å; S338-L347 PolarHBondContact O-N 3.25Å |
| 339 | W | 87.1 | Confident | 76.6 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 3% | 0.034 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.1 | 171.6 | -67.8 | 89 | 0 | 0 | 0 | 110.9 | H2 S25 S291 W292 P294 T298 A300 L310 I346 L405 | H2-W339 HydrophobicContact CB-CH2 4.31Å; H2-W339 HydrophobicContact CB-CZ3 4.43Å; H2-W339 AromaticContact CG-CZ3 3.96Å; S25-W339 PolarHBondContact OG-O 3.46Å; S25-W339 VanDerWaalsContact OG-O 3.06Å; S291-W339 PolarHBondContact O-NE1 2.91Å; W292-W339 VanDerWaalsContact O-CD1 3.3Å; P294-W339 HydrophobicContact CG-CB 4.29Å; T298-W339 HydrophobicContact CG2-CH2 3.75Å; T298-W339 HydrophobicContact CG2-CZ2 3.9Å; A300-W339 HydrophobicContact CB-CZ2 4.1Å; L310-W339 HydrophobicContact CD2-CH2 4.11Å; L310-W339 HydrophobicContact CD2-CZ2 3.86Å; W339-I346 HydrophobicContact CD2-CD1 4.08Å; W339-I346 HydrophobicContact CD2-CG1 3.67Å; W339-I346 HydrophobicContact CE3-CD1 4Å; W339-I346 HydrophobicContact CE3-CG1 3.57Å; W339-I346 HydrophobicContact CG-CG1 4.26Å; W339-I346 HydrophobicContact CH2-CD1 3.77Å; W339-I346 HydrophobicContact CH2-CG1 4.29Å; W339-I346 HydrophobicContact CZ2-CD1 3.82Å; W339-I346 HydrophobicContact CZ2-CG1 4.37Å; W339-I346 HydrophobicContact CZ3-CD1 3.87Å; W339-I346 HydrophobicContact CZ3-CG1 3.91Å; W339-L405 HydrophobicContact CE3-CD1 4.43Å; W339-L405 HydrophobicContact CZ3-CD1 3.93Å |
| 340 | A | 84 | Confident | 78 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | trans | -70.4 | 141.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.2 | L45 H342 G343 N345 L347 | L45-A340 HydrophobicContact CD1-CB 3.71Å; A340-H342 PolarHBondContact O-N 3.28Å; A340-G343 PolarHBondContact O-N 3.2Å; A340-N345 HydrophobicContact CB-CB 3.94Å; A340-N345 PolarHBondContact N-O 3.03Å; A340-L347 HydrophobicContact CB-CD1 4.47Å | ||
| 341 | H | 78.4 | Confident | 79 | Confident | 78 Ų | 78 | 18.2 Ų | 18.2 | 36% | 0.361 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -25.9 | -169 | -177.7 | 98 | 0 | 0 | 0 | 116.1 | S26 E27 P294 | S26-H341 WeakPolarHBondContact O-CB 3.35Å; E27-H341 WeakPolarHBondContact O-CB 3.45Å; E27-H341 PolarHBondContact O-CD2 2.76Å; E27-H341 PolarHBondContact O-ND1 3.25Å; E27-H341 PolarHBondContact O-NE2 2.73Å; P294-H341 WeakPolarHBondContact CB-O 3.5Å; P294-H341 WeakPolarHBondContact CG-O 3.47Å |
| 342 | H | 80.7 | Confident | 79.6 | Confident | 40 Ų | 40 | 19 Ų | 19 | 19% | 0.185 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.5 | 177.5 | -55.2 | -49.3 | 0 | 0 | 0 | 114.8 | D28 A340 Y344 R407 P459 | D28-H342 PolarHBondContact O-NE2 3.33Å; A340-H342 PolarHBondContact O-N 3.28Å; H342-Y344 VanDerWaalsContact C-N 3.34Å; H342-Y344 HydrophobicContact CB-CD2 3.6Å; H342-Y344 HydrophobicContact CB-CE2 3.82Å; H342-R407 PolarHBondContact O-NH1 3.13Å; H342-P459 HydrophobicContact CB-CG 4.39Å |
| 343 | G | 85.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 84.3 | -4.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H2 A340 | H2-G343 PolarHBondContact CD2-O 3.32Å; H2-G343 VanDerWaalsContact CD2-O 3.24Å; A340-G343 PolarHBondContact O-N 3.2Å |
| 344 | Y | 87 | Confident | 78.1 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -80 | -15.9 | -177.2 | -58.7 | -54.1 | 0 | 0 | 0 | 115.3 | H342 L405 R407 Q425 T427 P459 V460 | H342-Y344 VanDerWaalsContact C-N 3.34Å; H342-Y344 HydrophobicContact CB-CD2 3.6Å; H342-Y344 HydrophobicContact CB-CE2 3.82Å; Y344-L405 WeakPolarHBondContact O-CB 3.43Å; Y344-L405 PolarHBondContact O-N 3.14Å; Y344-R407 HydrophobicContact CD1-CB 4.19Å; Y344-R407 HydrophobicContact CE1-CB 3.87Å; Y344-Q425 HydrophobicContact CE1-CG 4.3Å; Y344-Q425 WeakPolarHBondContact CE1-O 3.28Å; Y344-Q425 PolarHBondContact OH-NE2 3.45Å; Y344-T427 HydrophobicContact CD2-CG2 3.93Å; Y344-T427 HydrophobicContact CG-CG2 4.14Å; Y344-P459 HydrophobicContact CD2-CB 4.23Å; Y344-P459 HydrophobicContact CE2-CB 3.93Å; Y344-P459 HydrophobicContact CE2-CG 4.14Å; Y344-V460 VanDerWaalsContact CE2-O 3.3Å; Y344-V460 WeakPolarHBondContact CE2-O 3.38Å; Y344-V460 PolarHBondContact OH-O 3.04Å |
| 345 | N | 88.6 | Confident | 76.6 | Confident | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.9 | -179.1 | -69.5 | -39.4 | 0 | 0 | 0 | 109.9 | A340 V402 F403 H404 | A340-N345 HydrophobicContact CB-CB 3.94Å; A340-N345 PolarHBondContact N-O 3.03Å; N345-V402 HydrophobicContact CB-CG1 3.88Å; N345-F403 WeakPolarHBondContact CA-O 3.43Å; N345-H404 PolarHBondContact OD1-ND1 2.82Å |
| 346 | I | 88.9 | Confident | 75 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.9 | 161.7 | -71.5 | 166.1 | 0 | 0 | 0 | 107.7 | W308 L310 L337 W339 V402 F403 L405 | W308-I346 HydrophobicContact CZ3-CD1 4.08Å; L310-I346 HydrophobicContact CD2-CD1 3.84Å; L337-I346 HydrophobicContact CD1-CG2 3.81Å; L337-I346 HydrophobicContact CD2-CG2 3.81Å; L337-I346 HydrophobicContact CG-CG2 3.58Å; W339-I346 HydrophobicContact CD2-CD1 4.08Å; W339-I346 HydrophobicContact CD2-CG1 3.67Å; W339-I346 HydrophobicContact CE3-CD1 4Å; W339-I346 HydrophobicContact CE3-CG1 3.57Å; W339-I346 HydrophobicContact CG-CG1 4.26Å; W339-I346 HydrophobicContact CH2-CD1 3.77Å; W339-I346 HydrophobicContact CH2-CG1 4.29Å; W339-I346 HydrophobicContact CZ2-CD1 3.82Å; W339-I346 HydrophobicContact CZ2-CG1 4.37Å; W339-I346 HydrophobicContact CZ3-CD1 3.87Å; W339-I346 HydrophobicContact CZ3-CG1 3.91Å; I346-V402 CarbonylContact O-C 3.57Å; I346-V402 WeakPolarHBondContact O-CA 3.24Å; I346-F403 HydrophobicContact CB-CB 4.4Å; I346-F403 HydrophobicContact CG2-CD2 4.48Å; I346-F403 PolarHBondContact N-O 2.71Å; I346-F403 PolarHBondContact O-N 2.74Å; I346-L405 HydrophobicContact CB-CD1 4.25Å; I346-L405 HydrophobicContact CD1-CD1 3.77Å; I346-L405 HydrophobicContact CG1-CD1 3.66Å |
| 347 | L | 85.2 | Confident | 73.1 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.5 | 168.9 | -67.4 | 91.8 | 0 | 0 | 0 | 108.7 | V23 S32 L45 L337 S338 A340 L400 V401 V402 | V23-L347 HydrophobicContact CG1-CB 4.35Å; S32-L347 WeakPolarHBondContact OG-CD2 3.26Å; L45-L347 HydrophobicContact CD1-CD1 4.31Å; L45-L347 HydrophobicContact CD2-CD1 3.96Å; L45-L347 HydrophobicContact CD2-CD2 3.98Å; L45-L347 HydrophobicContact CD2-CG 4.41Å; L337-L347 CarbonylContact C-O 3.58Å; L337-L347 WeakPolarHBondContact CA-O 3.49Å; S338-L347 PolarHBondContact N-O 3.06Å; S338-L347 PolarHBondContact O-N 3.25Å; A340-L347 HydrophobicContact CB-CD1 4.47Å; L347-L400 HydrophobicContact CD2-CD1 4.42Å; L347-V401 WeakPolarHBondContact CA-O 3.23Å; L347-V402 HydrophobicContact CD2-CG2 4.4Å; L347-V402 HydrophobicContact CG-CG2 4.26Å |
| 348 | G | 80.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 142.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | N336 F350 V401 | N336-G348 WeakPolarHBondContact O-CA 3.42Å; G348-F350 WeakPolarHBondContact O-CD2 3.46Å; G348-V401 PolarHBondContact N-O 2.83Å; G348-V401 PolarHBondContact O-N 3.3Å |
| 349 | L | 78.6 | Confident | 68.5 | Low | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.5 | 165.7 | -166 | 93.7 | 0 | 0 | 0 | 110 | V20 I334 S335 N336 T351 L400 | V20-L349 HydrophobicContact CB-CD1 3.91Å; V20-L349 HydrophobicContact CB-CD2 3.73Å; V20-L349 HydrophobicContact CB-CG 4.42Å; V20-L349 HydrophobicContact CG1-CD1 4.22Å; V20-L349 HydrophobicContact CG1-CD2 4.39Å; V20-L349 HydrophobicContact CG2-CD1 3.79Å; V20-L349 HydrophobicContact CG2-CD2 4.34Å; I334-L349 VanDerWaalsContact CA-O 3.31Å; I334-L349 WeakPolarHBondContact CA-O 3.47Å; S335-L349 PolarHBondContact N-O 3.47Å; S335-L349 WeakPolarHBondContact OG-CD2 3.35Å; N336-L349 PolarHBondContact O-N 3.06Å; L349-T351 HydrophobicContact CD2-CG2 4.02Å; L349-L400 HydrophobicContact CD1-CD1 4.48Å |
| 350 | F | 77 | Confident | 65.9 | Low | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.3 | -179 | -69 | -99.6 | 0 | 0 | 0 | 109.5 | I332 N333 I334 G348 S398 Y399 V401 F403 F838 | I332-F350 HydrophobicContact CG2-CB 4.45Å; I332-F350 HydrophobicContact CG2-CD1 3.65Å; I332-F350 HydrophobicContact CG2-CE1 4.47Å; N333-F350 WeakPolarHBondContact O-CA 3.42Å; I334-F350 HydrophobicContact CD1-CD1 4.3Å; I334-F350 HydrophobicContact CD1-CE1 3.52Å; I334-F350 HydrophobicContact CD1-CZ 3.79Å; I334-F350 HydrophobicContact CG1-CD1 3.75Å; I334-F350 HydrophobicContact CG1-CE1 3.46Å; I334-F350 VanDerWaalsContact CG1-CE1 3.46Å; I334-F350 HydrophobicContact CG1-CG 4.43Å; I334-F350 HydrophobicContact CG1-CZ 3.89Å; G348-F350 WeakPolarHBondContact O-CD2 3.46Å; F350-S398 WeakPolarHBondContact O-CA 3.48Å; F350-Y399 PolarHBondContact N-O 2.86Å; F350-Y399 PolarHBondContact O-N 3.49Å; F350-V401 HydrophobicContact CD2-CB 3.73Å; F350-V401 HydrophobicContact CD2-CG2 3.55Å; F350-V401 HydrophobicContact CE2-CB 3.79Å; F350-V401 HydrophobicContact CE2-CG1 4.4Å; F350-V401 HydrophobicContact CE2-CG2 4.12Å; F350-V401 HydrophobicContact CG-CG2 4.26Å; F350-F403 HydrophobicContact CE1-CZ 4.43Å; F350-F403 AromaticContact CE2-CE2 3.56Å; F350-F403 HydrophobicContact CE2-CE2 3.56Å; F350-F403 AromaticContact CE2-CZ 3.95Å; F350-F403 HydrophobicContact CE2-CZ 3.95Å; F350-F403 AromaticContact CZ-CE2 3.46Å; F350-F403 HydrophobicContact CZ-CE2 3.46Å; F350-F403 VanDerWaalsContact CZ-CE2 3.46Å; F350-F403 AromaticContact CZ-CZ 3.56Å; F350-F403 HydrophobicContact CZ-CZ 3.56Å; F350-F838 AromaticContact CD1-CE1 3.86Å; F350-F838 HydrophobicContact CD1-CE1 3.86Å; F350-F838 HydrophobicContact CD1-CZ 4.3Å; F350-F838 HydrophobicContact CD2-CE1 4.35Å; F350-F838 AromaticContact CE1-CE1 3.9Å; F350-F838 HydrophobicContact CE1-CE1 3.9Å; F350-F838 HydrophobicContact CE2-CE1 4.42Å; F350-F838 HydrophobicContact CG-CE1 4.11Å; F350-F838 HydrophobicContact CG-CZ 4.2Å; F350-F838 HydrophobicContact CZ-CE1 4.22Å |
| 351 | T | 73.4 | Confident | 63.5 | Low | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.6 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | N333 L349 | N333-T351 PolarHBondContact N-O 3.18Å; N333-T351 VanDerWaalsContact N-O 3.12Å; N333-T351 PolarHBondContact O-N 3.24Å; L349-T351 HydrophobicContact CD2-CG2 4.02Å |
| 352 | L | 67.4 | Low | 61.3 | Low | 40 Ų | 40 | 53.6 Ų | 53.6 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.2 | -178.9 | -149.3 | 82.8 | 0 | 0 | 0 | 110.4 | I332 V355 S397 L837 | I332-L352 HydrophobicContact CD1-CD1 4.4Å; I332-L352 HydrophobicContact CG1-CD1 3.89Å; L352-V355 HydrophobicContact CD2-CG2 4.03Å; L352-S397 PolarHBondContact N-O 3.38Å; L352-L837 HydrophobicContact CD1-CD1 3.86Å |
| 353 | N | 58.6 | Low | 59 | Low | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | trans | -93.9 | 113.5 | -177.6 | -76.7 | -47.8 | 0 | 0 | 0 | 111.1 | G331 N333 N396 | G331-N353 PolarHBondContact O-N 3.28Å; N333-N353 PolarHBondContact OD1-ND2 3.4Å; N353-N396 PolarHBondContact OD1-ND2 2.66Å | ||
| 354 | N | 47.6 | Very low | 56.3 | Low | 94 Ų | 94 | 63 Ų | 63 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | trans | 47.6 | 90 | 170 | -75.2 | -31 | 0 | 0 | 0 | 117.6 | T356 | N354-T356 PolarHBondContact O-N 2.95Š| ||
| 355 | V | 45.1 | Very low | 53.4 | Low | 78 Ų | 78 | 70.9 Ų | 70.9 | 47% | 0.473 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -55.3 | -15.8 | 171 | -179 | 0 | 0 | 0 | 0 | 113.9 | L352 E357 I358 | L352-V355 HydrophobicContact CD2-CG2 4.03Å; V355-E357 VanDerWaalsContact C-N 3.33Å; V355-E357 PolarHBondContact O-N 3.19Å; V355-I358 PolarHBondContact O-N 3.29Å |
| 356 | T | 38.3 | Very low | 50.4 | Low | 92 Ų | 92 | 74.6 Ų | 74.6 | 56% | 0.564 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -59.1 | -31.1 | -171 | 47.2 | 0 | 0 | 0 | 0 | 115.4 | N354 S359 | N354-T356 PolarHBondContact O-N 2.95Å; T356-S359 PolarHBondContact O-OG 3.27Å |
| 357 | E | 35 | Very low | 47.3 | Very low | 138 Ų | 138 | 85 Ų | 85 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -72.3 | -30.5 | -179.2 | -67.1 | -132 | 118.5 | 0 | 0 | 113.2 | V355 S359 R360 | V355-E357 VanDerWaalsContact C-N 3.33Å; V355-E357 PolarHBondContact O-N 3.19Å; E357-S359 PolarHBondContact O-N 3.16Å; E357-S359 VanDerWaalsContact O-N 3.16Å; E357-R360 PolarHBondContact O-N 3.39Å |
| 358 | I | 38.7 | Very low | 44.5 | Very low | 95 Ų | 95 | 91 Ų | 91 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -33 | -179.7 | -55.4 | 179.3 | 0 | 0 | 0 | 110.6 | V355 R360 V361 | V355-I358 PolarHBondContact O-N 3.29Å; I358-R360 PolarHBondContact O-N 3.38Å; I358-V361 PolarHBondContact O-N 2.99Å |
| 359 | S | 33.4 | Very low | 41.8 | Very low | 74 Ų | 74 | 96.2 Ų | 96.2 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -24.1 | 177.7 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | T356 E357 | T356-S359 PolarHBondContact O-OG 3.27Å; E357-S359 PolarHBondContact O-N 3.16Å; E357-S359 VanDerWaalsContact O-N 3.16Å |
| 360 | R | 32.2 | Very low | 39.1 | Very low | 189 Ų | 189 | 103 Ų | 103 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -86.4 | -29.6 | -176.3 | -70.5 | -179.2 | 172.2 | 160.5 | -2.3 | 113.4 | E357 I358 | E357-R360 PolarHBondContact O-N 3.39Å; I358-R360 PolarHBondContact O-N 3.38Å |
| 361 | V | 34.1 | Very low | 36.5 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80.1 | -24.2 | -176.9 | -173.6 | 0 | 0 | 0 | 0 | 112 | I358 N363 T364 | I358-V361 PolarHBondContact O-N 2.99Å; V361-N363 PolarHBondContact O-N 2.7Å; V361-T364 PolarHBondContact O-N 2.69Å; V361-T364 PolarHBondContact O-OG1 3.48Å; V361-T364 VanDerWaalsContact O-OG1 3.11Å |
| 362 | A | 32.7 | Very low | 34.2 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -13.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 363 | N | 30.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 11.1 | -179.2 | -79.2 | -18.9 | 0 | 0 | 0 | 114.2 | V361 | V361-N363 PolarHBondContact O-N 2.7Š|
| 364 | T | 29.1 | Very low | 30.5 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 58% | 0.583 | 69% | 0.685 | S | S | * | * | trans | -118.2 | 28.8 | -177.7 | 56.2 | 0 | 0 | 0 | 0 | 115.1 | V361 S366 | V361-T364 PolarHBondContact O-N 2.69Å; V361-T364 PolarHBondContact O-OG1 3.48Å; V361-T364 VanDerWaalsContact O-OG1 3.11Å; T364-S366 PolarHBondContact O-N 3.47Å; T364-S366 VanDerWaalsContact O-N 3.07Å | ||
| 365 | D | 26.8 | Very low | 29.3 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | -80.3 | 64.7 | 160.6 | -86.8 | -21.5 | 0 | 0 | 0 | 110.5 | ||||
| 366 | S | 24.8 | Very low | 28.5 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | trans | -123.7 | 115.5 | 170.3 | 58.3 | 0 | 0 | 0 | 0 | 111 | T364 V368 | T364-S366 PolarHBondContact O-N 3.47Å; T364-S366 VanDerWaalsContact O-N 3.07Å; S366-V368 PolarHBondContact O-N 2.7Å; S366-V368 VanDerWaalsContact O-N 3.08Å | ||
| 367 | F | 24.1 | Very low | 27.7 | Very low | 220 Ų | 220 | 134.1 Ų | 134.1 | 97% | 0.965 | 73% | 0.732 | S | S | * | * | trans | -58.1 | 111.1 | 170.6 | -89.3 | -107.3 | 0 | 0 | 0 | 109.8 | ||||
| 368 | V | 27.3 | Very low | 27.3 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -117.7 | 96.7 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | S366 | S366-V368 PolarHBondContact O-N 2.7Å; S366-V368 VanDerWaalsContact O-N 3.08Å | ||
| 369 | S | 23.5 | Very low | 26.5 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -58.8 | 156 | 160.3 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | K371 | S369-K371 PolarHBondContact O-N 3.04Š| ||
| 370 | E | 21.7 | Very low | 26.2 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -54.9 | 137.9 | -176.5 | -70.7 | -163.2 | 93.3 | 0 | 0 | 114.1 | ||
| 371 | K | 22 | Very low | 25.7 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 54.4 | 116.2 | 144.9 | -61.4 | 160.7 | -179.2 | 154 | 0 | 117.4 | S369 | S369-K371 PolarHBondContact O-N 3.04Š| ||
| 372 | V | 25.5 | Very low | 25.2 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | -167.7 | 151.6 | 99.1 | 142.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 373 | S | 23.9 | Very low | 24.8 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 144.1 | -179.6 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 374 | T | 24.3 | Very low | 24.4 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -156.1 | 160.3 | 139.3 | -5.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 375 | K | 23.2 | Very low | 24.1 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -88.9 | 145.7 | 178.1 | -58.1 | 167.5 | -178.6 | 173.7 | 0 | 109 | ||||
| 376 | D | 26.9 | Very low | 24 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | -156.4 | 148.1 | 130.7 | -109.4 | -31.8 | 0 | 0 | 0 | 111.6 | ||||
| 377 | T | 22.6 | Very low | 23.9 | Very low | 133 Ų | 133 | 156.8 Ų | 156.8 | 82% | 0.816 | 82% | 0.821 | S | S | * | * | trans | -109.3 | 112.5 | -176.8 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 378 | I | 26.7 | Very low | 24 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -113.3 | 121.6 | 166.7 | -64.1 | 179.2 | 0 | 0 | 0 | 108.5 | V380 | I378-V380 HydrophobicContact CG2-CG2 4.39Š| ||
| 379 | K | 22 | Very low | 23.8 | Very low | 198 Ų | 198 | 147 Ų | 147 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -76.8 | 134.3 | 166.7 | -60.2 | 179.1 | 179.5 | -179.2 | 0 | 108.3 | ||||
| 380 | V | 26.2 | Very low | 23.9 | Very low | 135 Ų | 135 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -116.4 | 137.2 | 162.8 | -179 | 0 | 0 | 0 | 0 | 106.7 | I378 | I378-V380 HydrophobicContact CG2-CG2 4.39Š| ||
| 381 | E | 22.7 | Very low | 24 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -81.9 | 151.1 | -163.7 | -62.4 | 175.7 | 126.2 | 0 | 0 | 113.1 | S383 | E381-S383 PolarHBondContact O-N 2.79Š| ||
| 382 | E | 22 | Very low | 24.1 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -74.8 | 86.8 | -179.2 | -63.6 | 174.5 | 124.8 | 0 | 0 | 111.3 | Q384 | E382-Q384 PolarHBondContact O-N 2.94Š| ||
| 383 | S | 24.1 | Very low | 24.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -74.8 | 94.4 | 174.2 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | E381 F385 | E381-S383 PolarHBondContact O-N 2.79Å; S383-F385 PolarHBondContact O-N 3.32Å | ||
| 384 | Q | 22.7 | Very low | 25 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -53.2 | 117 | 177.4 | -60.1 | 166.1 | -10.8 | 0 | 0 | 112.9 | E382 | E382-Q384 PolarHBondContact O-N 2.94Š| ||
| 385 | F | 23.5 | Very low | 26 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -149 | 130.1 | 159.9 | -92.7 | -67.5 | 0 | 0 | 0 | 113.4 | S383 | S383-F385 PolarHBondContact O-N 3.32Š| ||
| 386 | F | 24.6 | Very low | 27.4 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | 55 | 70.3 | 166.8 | -64.9 | -70.9 | 0 | 0 | 0 | 119.3 | G388 | F386-G388 PolarHBondContact O-N 3.11Š| ||
| 387 | S | 23.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -72 | 74.6 | 144.8 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 388 | G | 24.7 | Very low | 31.4 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -97 | 107.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F386 L390 | F386-G388 PolarHBondContact O-N 3.11Å; G388-L390 PolarHBondContact O-N 3.14Å | ||
| 389 | G | 23.8 | Very low | 33.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -70.6 | 118.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 390 | L | 24.7 | Very low | 36.2 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | trans | -150.8 | 99 | 164.8 | -111.7 | 139.2 | 0 | 0 | 0 | 108.2 | G388 C392 | G388-L390 PolarHBondContact O-N 3.14Å; L390-C392 PolarHBondContact O-N 3.06Å | ||
| 391 | D | 24 | Very low | 38.9 | Very low | 168 Ų | 168 | 110.1 Ų | 110.1 | 90% | 0.898 | 61% | 0.611 | S | S | * | * | trans | -68.4 | 82.5 | 172.7 | -66.2 | -54.8 | 0 | 0 | 0 | 109.5 | P393 | D391-P393 VanDerWaalsContact O-CD 3.24Å; D391-P393 WeakPolarHBondContact O-CD 3.38Å | ||
| 392 | C | 24.9 | Very low | 41.9 | Very low | 103 Ų | 103 | 101.5 Ų | 101.5 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | trans | -73 | 111.4 | 167.4 | -65.4 | 0 | 0 | 0 | 0 | 107.5 | L390 S394 | L390-C392 PolarHBondContact O-N 3.06Å; C392-S394 PolarHBondContact O-N 2.86Å | ||
| 393 | P | 29.2 | Very low | 45 | Very low | 109 Ų | 109 | 92.9 Ų | 92.9 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | trans | -61.8 | 135.8 | 176.8 | 27.1 | -34.2 | 0 | 0 | 0 | 108.8 | D391 R395 | D391-P393 VanDerWaalsContact O-CD 3.24Å; D391-P393 WeakPolarHBondContact O-CD 3.38Å; P393-R395 VanDerWaalsContact C-N 3.33Å; P393-R395 PolarHBondContact O-N 3.04Å | ||
| 394 | S | 39 | Very low | 48.1 | Very low | 83 Ų | 83 | 89.4 Ų | 89.4 | 58% | 0.58 | 50% | 0.502 | S | S | * | . | trans | -61.6 | 94.8 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 109 | C392 N396 | C392-S394 PolarHBondContact O-N 2.86Å; S394-N396 VanDerWaalsContact C-N 3.28Å; S394-N396 PolarHBondContact O-N 2.9Å | ||
| 395 | R | 45.1 | Very low | 51.4 | Low | 211 Ų | 211 | 81 Ų | 81 | 80% | 0.796 | 46% | 0.463 | S | S | * | . | trans | -67.6 | 88.8 | 175.5 | -86.3 | -174.3 | 163.2 | -167.5 | -6.4 | 109.1 | P393 S397 | P393-R395 VanDerWaalsContact C-N 3.33Å; P393-R395 PolarHBondContact O-N 3.04Å; R395-S397 PolarHBondContact O-N 2.76Å | ||
| 396 | N | 52.9 | Low | 54.7 | Low | 64 Ų | 64 | 72.4 Ų | 72.4 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | trans | -52.7 | 111 | 159.8 | -78.8 | 4.4 | 0 | 0 | 0 | 107.3 | N353 S394 | N353-N396 PolarHBondContact OD1-ND2 2.66Å; S394-N396 VanDerWaalsContact C-N 3.28Å; S394-N396 PolarHBondContact O-N 2.9Å | ||
| 397 | S | 62.7 | Low | 57.9 | Low | 41 Ų | 41 | 65 Ų | 65 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.6 | 179.1 | 36.7 | 0 | 0 | 0 | 0 | 108.6 | L352 R395 Y399 | L352-S397 PolarHBondContact N-O 3.38Å; R395-S397 PolarHBondContact O-N 2.76Å; S397-Y399 VanDerWaalsContact CB-OH 3.27Å; S397-Y399 WeakPolarHBondContact CB-OH 3.48Å; S397-Y399 WeakPolarHBondContact OG-CE2 3.39Å; S397-Y399 PolarHBondContact OG-OH 2.9Å; S397-Y399 VanDerWaalsContact OG-OH 3.06Å |
| 398 | S | 69.7 | Low | 61.2 | Low | 26 Ų | 26 | 58.9 Ų | 58.9 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.2 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | F350 | F350-S398 WeakPolarHBondContact O-CA 3.48Å |
| 399 | Y | 74.1 | Confident | 64.3 | Low | 53 Ų | 53 | 55.9 Ų | 55.9 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.8 | 178.4 | -58.2 | -83.9 | 0 | 0 | 0 | 110.1 | V10 F350 S397 L834 | V10-Y399 HydrophobicContact CG1-CD1 4.38Å; F350-Y399 PolarHBondContact N-O 2.86Å; F350-Y399 PolarHBondContact O-N 3.49Å; S397-Y399 VanDerWaalsContact CB-OH 3.27Å; S397-Y399 WeakPolarHBondContact CB-OH 3.48Å; S397-Y399 WeakPolarHBondContact OG-CE2 3.39Å; S397-Y399 PolarHBondContact OG-OH 2.9Å; S397-Y399 VanDerWaalsContact OG-OH 3.06Å; Y399-L834 HydrophobicContact CD1-CD1 3.75Å; Y399-L834 HydrophobicContact CD1-CD2 4.18Å; Y399-L834 HydrophobicContact CD2-CD2 4.17Å; Y399-L834 HydrophobicContact CE1-CD1 3.62Å; Y399-L834 HydrophobicContact CE1-CD2 3.96Å; Y399-L834 HydrophobicContact CE1-CG 4.4Å; Y399-L834 HydrophobicContact CE2-CD2 3.95Å; Y399-L834 HydrophobicContact CG-CD2 4.29Å |
| 400 | L | 77.4 | Confident | 67.4 | Low | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.4 | 172.4 | -176.9 | 68.7 | 0 | 0 | 0 | 108.7 | L11 V34 F43 L347 L349 | L11-L400 HydrophobicContact CB-CB 4.23Å; L11-L400 HydrophobicContact CB-CD2 3.95Å; L11-L400 HydrophobicContact CB-CG 4.23Å; L11-L400 HydrophobicContact CD1-CD2 3.57Å; L11-L400 HydrophobicContact CD1-CG 4.05Å; L11-L400 HydrophobicContact CG-CD2 4.39Å; L11-L400 PolarHBondContact N-O 3.27Å; V34-L400 HydrophobicContact CG2-CD1 4.21Å; V34-L400 HydrophobicContact CG2-CD2 3.71Å; F43-L400 HydrophobicContact CD2-CD2 4.22Å; F43-L400 HydrophobicContact CE2-CD2 3.77Å; F43-L400 HydrophobicContact CZ-CD2 3.94Å; L347-L400 HydrophobicContact CD2-CD1 4.42Å; L349-L400 HydrophobicContact CD1-CD1 4.48Å |
| 401 | V | 81.1 | Confident | 70.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.6 | -170.5 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | P8 V10 L347 G348 F350 F403 F838 | P8-V401 HydrophobicContact CB-CG1 3.72Å; P8-V401 HydrophobicContact CG-CG1 4.19Å; V10-V401 HydrophobicContact CG2-CG2 4.41Å; L347-V401 WeakPolarHBondContact CA-O 3.23Å; G348-V401 PolarHBondContact N-O 2.83Å; G348-V401 PolarHBondContact O-N 3.3Å; F350-V401 HydrophobicContact CD2-CB 3.73Å; F350-V401 HydrophobicContact CD2-CG2 3.55Å; F350-V401 HydrophobicContact CE2-CB 3.79Å; F350-V401 HydrophobicContact CE2-CG1 4.4Å; F350-V401 HydrophobicContact CE2-CG2 4.12Å; F350-V401 HydrophobicContact CG-CG2 4.26Å; V401-F403 HydrophobicContact CB-CE2 4.45Å; V401-F403 HydrophobicContact CG1-CD2 4.48Å; V401-F403 HydrophobicContact CG1-CE1 4.4Å; V401-F403 HydrophobicContact CG1-CE2 4Å; V401-F403 HydrophobicContact CG1-CZ 3.94Å; V401-F838 HydrophobicContact CG1-CD1 4.47Å; V401-F838 HydrophobicContact CG1-CE1 4.23Å; V401-F838 HydrophobicContact CG1-CZ 4.35Å; V401-F838 HydrophobicContact CG2-CE1 4.22Å; V401-F838 HydrophobicContact CG2-CE2 4.21Å; V401-F838 HydrophobicContact CG2-CZ 3.71Å |
| 402 | V | 85.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.5 | 178.2 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | P8 S9 L11 L48 N345 I346 L347 | P8-V402 CarbonylContact C-O 3.5Å; P8-V402 VanDerWaalsContact CA-O 3.22Å; P8-V402 WeakPolarHBondContact CA-O 3.41Å; P8-V402 WeakPolarHBondContact CB-O 3.43Å; S9-V402 PolarHBondContact N-O 3.42Å; S9-V402 PolarHBondContact O-N 3.02Å; L11-V402 HydrophobicContact CD1-CG2 3.52Å; L11-V402 HydrophobicContact CG-CG2 3.89Å; L48-V402 HydrophobicContact CD2-CB 4.49Å; L48-V402 HydrophobicContact CD2-CG1 4.35Å; L48-V402 HydrophobicContact CD2-CG2 4.19Å; N345-V402 HydrophobicContact CB-CG1 3.88Å; I346-V402 CarbonylContact O-C 3.57Å; I346-V402 WeakPolarHBondContact O-CA 3.24Å; L347-V402 HydrophobicContact CD2-CG2 4.4Å; L347-V402 HydrophobicContact CG-CG2 4.26Å |
| 403 | F | 87.8 | Confident | 76.7 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.3 | 171.6 | -65.9 | -81.5 | 0 | 0 | 0 | 110.5 | L4 P8 W308 N345 I346 F350 V401 F838 | L4-F403 HydrophobicContact CD2-CB 3.6Å; L4-F403 HydrophobicContact CD2-CD1 3.97Å; L4-F403 HydrophobicContact CD2-CG 4.07Å; P8-F403 HydrophobicContact CB-CD1 3.66Å; P8-F403 HydrophobicContact CB-CE1 3.89Å; P8-F403 HydrophobicContact CB-CG 4.25Å; P8-F403 HydrophobicContact CG-CD1 4.13Å; P8-F403 HydrophobicContact CG-CE1 3.95Å; W308-F403 HydrophobicContact CH2-CD1 4.42Å; W308-F403 HydrophobicContact CH2-CD2 4.13Å; W308-F403 HydrophobicContact CH2-CE2 4.39Å; W308-F403 HydrophobicContact CH2-CG 4.15Å; W308-F403 HydrophobicContact CZ2-CD1 4.02Å; W308-F403 AromaticContact CZ2-CD2 3.94Å; W308-F403 HydrophobicContact CZ2-CD2 3.94Å; W308-F403 AromaticContact CZ2-CE1 3.88Å; W308-F403 HydrophobicContact CZ2-CE1 3.88Å; W308-F403 AromaticContact CZ2-CE2 3.77Å; W308-F403 HydrophobicContact CZ2-CE2 3.77Å; W308-F403 HydrophobicContact CZ2-CG 4.07Å; W308-F403 AromaticContact CZ2-CZ 3.75Å; W308-F403 HydrophobicContact CZ2-CZ 3.75Å; N345-F403 WeakPolarHBondContact CA-O 3.43Å; I346-F403 HydrophobicContact CB-CB 4.4Å; I346-F403 HydrophobicContact CG2-CD2 4.48Å; I346-F403 PolarHBondContact N-O 2.71Å; I346-F403 PolarHBondContact O-N 2.74Å; F350-F403 HydrophobicContact CE1-CZ 4.43Å; F350-F403 AromaticContact CE2-CE2 3.56Å; F350-F403 HydrophobicContact CE2-CE2 3.56Å; F350-F403 AromaticContact CE2-CZ 3.95Å; F350-F403 HydrophobicContact CE2-CZ 3.95Å; F350-F403 AromaticContact CZ-CE2 3.46Å; F350-F403 HydrophobicContact CZ-CE2 3.46Å; F350-F403 VanDerWaalsContact CZ-CE2 3.46Å; F350-F403 AromaticContact CZ-CZ 3.56Å; F350-F403 HydrophobicContact CZ-CZ 3.56Å; V401-F403 HydrophobicContact CB-CE2 4.45Å; V401-F403 HydrophobicContact CG1-CD2 4.48Å; V401-F403 HydrophobicContact CG1-CE1 4.4Å; V401-F403 HydrophobicContact CG1-CE2 4Å; V401-F403 HydrophobicContact CG1-CZ 3.94Å; F403-F838 HydrophobicContact CE1-CD1 4.27Å; F403-F838 HydrophobicContact CZ-CD1 4.07Å; F403-F838 HydrophobicContact CZ-CE1 4.32Å |
| 404 | H | 89.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135 | 175.9 | -56.7 | -53.6 | 0 | 0 | 0 | 111.1 | L4 V5 S9 N345 | L4-H404 WeakPolarHBondContact CA-O 3.5Å; V5-H404 PolarHBondContact N-O 3.21Å; S9-H404 PolarHBondContact OG-NE2 3.26Å; N345-H404 PolarHBondContact OD1-ND1 2.82Å |
| 405 | L | 91.6 | Very high | 82 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.9 | -172.2 | -62.5 | 142 | 0 | 0 | 0 | 111.2 | H2 Y3 L4 L310 W339 Y344 I346 | H2-L405 HydrophobicContact CB-CD2 4.11Å; Y3-L405 CarbonylContact O-C 3.24Å; Y3-L405 VanDerWaalsContact O-CA 3.26Å; Y3-L405 WeakPolarHBondContact O-CA 3.44Å; L4-L405 HydrophobicContact CD2-CD2 3.57Å; L4-L405 HydrophobicContact CD2-CG 4.15Å; L4-L405 HydrophobicContact CG-CD2 3.95Å; L310-L405 HydrophobicContact CD1-CD2 4.12Å; W339-L405 HydrophobicContact CE3-CD1 4.43Å; W339-L405 HydrophobicContact CZ3-CD1 3.93Å; Y344-L405 WeakPolarHBondContact O-CB 3.43Å; Y344-L405 PolarHBondContact O-N 3.14Å; I346-L405 HydrophobicContact CB-CD1 4.25Å; I346-L405 HydrophobicContact CD1-CD1 3.77Å; I346-L405 HydrophobicContact CG1-CD1 3.66Å |
| 406 | A | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | H2 Y3 V5 L424 T426 I431 | H2-A406 WeakPolarHBondContact CA-O 3.46Å; Y3-A406 PolarHBondContact N-O 3.06Å; Y3-A406 PolarHBondContact O-N 3.34Å; V5-A406 HydrophobicContact CG2-CB 3.57Å; A406-L424 HydrophobicContact CB-CB 3.9Å; A406-L424 HydrophobicContact CB-CD1 3.68Å; A406-L424 HydrophobicContact CB-CG 4.47Å; A406-T426 HydrophobicContact CB-CG2 3.64Å; A406-I431 HydrophobicContact CB-CD1 4.32Å |
| 407 | R | 92.1 | Very high | 85.7 | Confident | 30 Ų | 30 | 11.9 Ų | 11.9 | 11% | 0.113 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.5 | 179.3 | 178.3 | 177.7 | 166.6 | -179.3 | -4.4 | 109.5 | M1 H2 D295 H342 Y344 S409 T411 L424 Q425 | M1-R407 CarbonylContact O-C 3.59Å; M1-R407 WeakPolarHBondContact O-CA 3.23Å; H2-R407 WeakPolarHBondContact NE2-CD 3.46Å; D295-R407 IonicContact OD2-CZ 3.81Å; D295-R407 IonicContact OD2-NE 3.12Å; D295-R407 PolarHBondContact OD2-NE 3.16Å; D295-R407 IonicContact OD2-NH2 3.98Å; D295-R407 PolarHBondContact OD2-NH2 3.06Å; H342-R407 PolarHBondContact O-NH1 3.13Å; Y344-R407 HydrophobicContact CD1-CB 4.19Å; Y344-R407 HydrophobicContact CE1-CB 3.87Å; R407-S409 PolarHBondContact O-N 2.82Å; R407-T411 PolarHBondContact NE-OG1 3.36Å; R407-T411 PolarHBondContact NH2-O 3.29Å; R407-L424 CarbonylContact O-C 3.57Å; R407-L424 WeakPolarHBondContact O-CA 3.46Å; R407-Q425 PolarHBondContact N-O 3.31Å; R407-Q425 WeakPolarHBondContact O-CG 3.35Å; R407-Q425 PolarHBondContact O-N 3.07Å |
| 408 | S | 91.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.014 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.4 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | M1 I410 T411 L424 | M1-S408 PolarHBondContact O-N 3.09Å; S408-I410 PolarHBondContact O-N 3.2Å; S408-I410 VanDerWaalsContact O-N 3.13Å; S408-T411 PolarHBondContact O-N 3.19Å; S408-T411 PolarHBondContact O-OG1 2.79Å; S408-L424 VanDerWaalsContact CA-CD2 3.46Å |
| 409 | S | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | G | 310 helix | trans | -63 | -25.3 | -169 | -45.6 | 0 | 0 | 0 | 0 | 112.5 | R407 T411 A412 N413 V423 Q425 | R407-S409 PolarHBondContact O-N 2.82Å; S409-T411 PolarHBondContact O-N 2.9Å; S409-T411 VanDerWaalsContact O-N 3.13Å; S409-A412 PolarHBondContact O-N 3.42Å; S409-N413 PolarHBondContact O-N 3.2Å; S409-V423 WeakPolarHBondContact CB-O 3.25Å; S409-V423 PolarHBondContact N-O 3.34Å; S409-V423 VanDerWaalsContact OG-CG1 3.3Å; S409-V423 WeakPolarHBondContact OG-CG1 3.49Å; S409-V423 PolarHBondContact OG-O 3.44Å; S409-Q425 PolarHBondContact OG-OE1 3.06Å |
| 410 | I | 89.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -58.9 | -21.3 | 174 | 67.9 | -174.3 | 0 | 0 | 0 | 113.6 | S408 P414 N418 I695 L799 | S408-I410 PolarHBondContact O-N 3.2Å; S408-I410 VanDerWaalsContact O-N 3.13Å; I410-P414 WeakPolarHBondContact O-CA 3.43Å; I410-P414 WeakPolarHBondContact O-CB 3.36Å; I410-N418 HydrophobicContact CG2-CB 4.37Å; I410-I695 HydrophobicContact CD1-CD1 3.64Å; I410-I695 HydrophobicContact CD1-CG1 4.27Å; I410-I695 HydrophobicContact CD1-CG2 4.39Å; I410-L799 HydrophobicContact CD1-CD2 4.19Å |
| 411 | T | 88.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.006 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -87.5 | -7.8 | 176.3 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | R239 D295 Y297 R407 S408 S409 | R239-T411 PolarHBondContact NH1-O 3.12Å; D295-T411 VanDerWaalsContact OD2-CB 3.26Å; D295-T411 WeakPolarHBondContact OD2-CB 3.32Å; D295-T411 PolarHBondContact OD2-OG1 3.16Å; Y297-T411 HydrophobicContact CD1-CG2 3.71Å; Y297-T411 VanDerWaalsContact CD2-CB 3.45Å; Y297-T411 HydrophobicContact CD2-CG2 3.58Å; Y297-T411 HydrophobicContact CE1-CG2 3.69Å; Y297-T411 HydrophobicContact CE2-CG2 3.57Å; Y297-T411 HydrophobicContact CG-CG2 3.6Å; R407-T411 PolarHBondContact NE-OG1 3.36Å; R407-T411 PolarHBondContact NH2-O 3.29Å; S408-T411 PolarHBondContact O-N 3.19Å; S408-T411 PolarHBondContact O-OG1 2.79Å; S409-T411 PolarHBondContact O-N 2.9Å; S409-T411 VanDerWaalsContact O-N 3.13Å |
| 412 | A | 87.2 | Confident | 89.1 | Confident | 19 Ų | 19 | 7.1 Ų | 7.1 | 16% | 0.157 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -32.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S409 Y462 | S409-A412 PolarHBondContact O-N 3.42Å; A412-Y462 WeakPolarHBondContact O-CD1 3.49Å; A412-Y462 WeakPolarHBondContact O-CE1 3.26Å |
| 413 | N | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -143.2 | 80 | -174.7 | -165.6 | 34.9 | 0 | 0 | 0 | 109.8 | S409 T415 N418 Y462 V463 G507 M508 | S409-N413 PolarHBondContact O-N 3.2Å; N413-T415 PolarHBondContact O-N 3.42Å; N413-N418 PolarHBondContact ND2-ND2 3.39Å; N413-N418 PolarHBondContact O-ND2 3.13Å; N413-Y462 HydrophobicContact CB-CD1 4.24Å; N413-V463 PolarHBondContact ND2-O 3.46Å; N413-G507 VanDerWaalsContact OD1-CA 3.31Å; N413-G507 WeakPolarHBondContact OD1-CA 3.17Å; N413-M508 PolarHBondContact ND2-O 3.47Å; N413-M508 PolarHBondContact OD1-N 3.27Å; N413-M508 PolarHBondContact OD1-O 3.01Å | ||
| 414 | P | 90.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 6.9 Ų | 6.9 | 3% | 0.026 | 4% | 0.036 | C | C | . | . | trans | -79.4 | 42.3 | -170 | 34.6 | -38.1 | 0 | 0 | 0 | 113.5 | I410 I556 R610 | I410-P414 WeakPolarHBondContact O-CA 3.43Å; I410-P414 WeakPolarHBondContact O-CB 3.36Å; P414-I556 HydrophobicContact CG-CD1 4.23Å; P414-I556 HydrophobicContact CG-CG1 4.49Å; P414-I556 HydrophobicContact CG-CG2 3.99Å; P414-R610 HydrophobicContact CB-CB 4.26Å; P414-R610 HydrophobicContact CB-CG 4.19Å; P414-R610 PolarHBondContact O-NE 2.96Å | ||
| 415 | T | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.028 | C | C | . | . | trans | -79.3 | 148 | -177.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | N413 D417 N418 H419 M508 A509 V557 D558 | N413-T415 PolarHBondContact O-N 3.42Å; T415-D417 PolarHBondContact O-N 3.4Å; T415-N418 WeakPolarHBondContact O-CB 3.48Å; T415-N418 PolarHBondContact O-N 2.94Å; T415-N418 VanDerWaalsContact O-N 3.08Å; T415-H419 PolarHBondContact O-CD2 3.03Å; T415-H419 VanDerWaalsContact O-CD2 3.23Å; T415-H419 PolarHBondContact O-N 2.84Å; T415-M508 WeakPolarHBondContact CG2-O 3.26Å; T415-A509 HydrophobicContact CG2-CB 3.86Å; T415-V557 HydrophobicContact CG2-CG2 4.3Å; T415-V557 WeakPolarHBondContact CG2-O 3.39Å; T415-D558 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 416 | S | 87.2 | Confident | 89.8 | Confident | 4 Ų | 4 | 5.2 Ų | 5.2 | 3% | 0.028 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -51.5 | -44.7 | -179.2 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | N418 H419 D558 R610 F702 | S416-N418 PolarHBondContact O-N 3.03Å; S416-H419 WeakPolarHBondContact O-CB 3.41Å; S416-H419 PolarHBondContact O-N 3.25Å; S416-H419 VanDerWaalsContact O-N 3.13Å; S416-D558 WeakPolarHBondContact CB-OD1 3.44Å; S416-D558 PolarHBondContact N-OD1 2.93Å; S416-D558 PolarHBondContact OG-OD1 3.14Å; S416-D558 PolarHBondContact OG-OD2 3.31Å; S416-D558 VanDerWaalsContact OG-OD2 3.12Å; S416-R610 PolarHBondContact OG-NH2 3.19Å; S416-F702 WeakPolarHBondContact O-CE1 3.44Å; S416-F702 WeakPolarHBondContact O-CZ 3.4Å |
| 417 | D | 86.7 | Confident | 89.7 | Confident | 10 Ų | 10 | 6.2 Ų | 6.2 | 5% | 0.053 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 179.4 | -35.4 | -46.6 | 0 | 0 | 0 | 111.7 | T415 H419 L420 H421 V465 T467 W510 | T415-D417 PolarHBondContact O-N 3.4Å; D417-H419 VanDerWaalsContact C-N 3.28Å; D417-H419 PolarHBondContact O-N 3.43Å; D417-L420 WeakPolarHBondContact O-CB 3.43Å; D417-L420 PolarHBondContact O-N 3.43Å; D417-H421 PolarHBondContact O-CD2 3.36Å; D417-V465 WeakPolarHBondContact CB-O 3.35Å; D417-T467 HydrophobicContact CB-CG2 3.97Å; D417-T467 VanDerWaalsContact OD1-CG2 3.25Å; D417-T467 WeakPolarHBondContact OD1-CG2 3.19Å; D417-W510 PolarHBondContact OD2-N 3.39Å |
| 418 | N | 89.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.3 | -32.8 | 177.3 | -88.2 | -9.9 | 0 | 0 | 0 | 113 | I410 N413 T415 S416 L420 H421 V463 A464 V465 | I410-N418 HydrophobicContact CG2-CB 4.37Å; N413-N418 PolarHBondContact ND2-ND2 3.39Å; N413-N418 PolarHBondContact O-ND2 3.13Å; T415-N418 WeakPolarHBondContact O-CB 3.48Å; T415-N418 PolarHBondContact O-N 2.94Å; T415-N418 VanDerWaalsContact O-N 3.08Å; S416-N418 PolarHBondContact O-N 3.03Å; N418-L420 PolarHBondContact O-N 2.87Å; N418-H421 PolarHBondContact O-N 3.48Å; N418-H421 VanDerWaalsContact O-O 3.07Å; N418-V463 PolarHBondContact ND2-O 3.19Å; N418-A464 WeakPolarHBondContact OD1-CA 3.4Å; N418-V465 PolarHBondContact OD1-N 3.13Å |
| 419 | H | 87.8 | Confident | 89.5 | Confident | 7 Ų | 7 | 11.1 Ų | 11.1 | 3% | 0.032 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.8 | -15.1 | 179.5 | -80.8 | -79.8 | 0 | 0 | 0 | 113.8 | T415 S416 D417 H421 R610 W697 F702 S800 | T415-H419 PolarHBondContact O-CD2 3.03Å; T415-H419 VanDerWaalsContact O-CD2 3.23Å; T415-H419 PolarHBondContact O-N 2.84Å; S416-H419 WeakPolarHBondContact O-CB 3.41Å; S416-H419 PolarHBondContact O-N 3.25Å; S416-H419 VanDerWaalsContact O-N 3.13Å; D417-H419 VanDerWaalsContact C-N 3.28Å; D417-H419 PolarHBondContact O-N 3.43Å; H419-H421 VanDerWaalsContact C-N 3.31Å; H419-R610 VanDerWaalsContact CD2-CZ 3.46Å; H419-R610 PolarHBondContact CD2-NH1 3.24Å; H419-R610 PolarHBondContact NE2-NH1 2.69Å; H419-W697 AromaticContact ND1-CD1 3.65Å; H419-W697 AromaticContact ND1-NE1 3.54Å; H419-F702 HydrophobicContact CB-CZ 4.4Å; H419-S800 PolarHBondContact O-OG 3.3Å |
| 420 | L | 83.5 | Confident | 89.5 | Confident | 10 Ų | 10 | 11.1 Ų | 11.1 | 5% | 0.052 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.7 | 173.5 | -66.6 | 174.2 | 0 | 0 | 0 | 113.8 | D417 N418 T467 F702 S800 | D417-L420 WeakPolarHBondContact O-CB 3.43Å; D417-L420 PolarHBondContact O-N 3.43Å; N418-L420 PolarHBondContact O-N 2.87Å; L420-T467 HydrophobicContact CD1-CG2 4.03Å; L420-F702 HydrophobicContact CD1-CD1 3.84Å; L420-F702 HydrophobicContact CD1-CE1 4.02Å; L420-F702 HydrophobicContact CD2-CB 4.32Å; L420-F702 HydrophobicContact CD2-CD1 3.6Å; L420-F702 HydrophobicContact CD2-CD2 4.09Å; L420-F702 HydrophobicContact CD2-CE1 3.8Å; L420-F702 HydrophobicContact CD2-CE2 4.29Å; L420-F702 HydrophobicContact CD2-CG 3.75Å; L420-F702 HydrophobicContact CD2-CZ 4.14Å; L420-F702 HydrophobicContact CG-CD1 3.82Å; L420-F702 HydrophobicContact CG-CE1 3.68Å; L420-F702 HydrophobicContact CG-CG 4.47Å; L420-F702 HydrophobicContact CG-CZ 4.24Å; L420-S800 PolarHBondContact O-OG 2.84Å |
| 421 | H | 87.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.019 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -129.6 | 161.3 | -170 | -60.7 | -56.1 | 0 | 0 | 0 | 111.5 | D417 N418 H419 V423 N434 R435 V465 S466 G469 | D417-H421 PolarHBondContact O-CD2 3.36Å; N418-H421 PolarHBondContact O-N 3.48Å; N418-H421 VanDerWaalsContact O-O 3.07Å; H419-H421 VanDerWaalsContact C-N 3.31Å; H421-V423 HydrophobicContact CB-CG2 3.8Å; H421-N434 PolarHBondContact CE1-OD1 3.47Å; H421-N434 VanDerWaalsContact CE1-OD1 3.27Å; H421-N434 PolarHBondContact ND1-OD1 3.08Å; H421-R435 PolarHBondContact ND1-N 3.13Å; H421-V465 HydrophobicContact CB-CG1 4.47Å; H421-S466 PolarHBondContact NE2-O 3.34Å; H421-G469 PolarHBondContact NE2-N 3.18Å |
| 422 | I | 89.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.8 | 166.5 | -69.3 | -168.6 | 0 | 0 | 0 | 107.8 | V432 A433 L799 V809 I811 | I422-V432 CarbonylContact O-C 3.56Å; I422-V432 WeakPolarHBondContact O-CA 3.47Å; I422-A433 HydrophobicContact CB-CB 4.32Å; I422-A433 PolarHBondContact N-O 2.99Å; I422-A433 PolarHBondContact O-N 3.24Å; I422-L799 HydrophobicContact CD1-CB 4.33Å; I422-L799 HydrophobicContact CG1-CB 4.17Å; I422-L799 HydrophobicContact CG2-CD1 4.26Å; I422-V809 HydrophobicContact CD1-CB 3.95Å; I422-V809 HydrophobicContact CD1-CG1 3.35Å; I422-V809 HydrophobicContact CG1-CG1 4.32Å; I422-I811 HydrophobicContact CG2-CD1 3.54Å; I422-I811 HydrophobicContact CG2-CG1 4Å |
| 423 | V | 91.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 105.6 | -174 | -164.4 | 0 | 0 | 0 | 0 | 108.9 | S409 H421 I430 V432 V463 V465 | S409-V423 WeakPolarHBondContact CB-O 3.25Å; S409-V423 PolarHBondContact N-O 3.34Å; S409-V423 VanDerWaalsContact OG-CG1 3.3Å; S409-V423 WeakPolarHBondContact OG-CG1 3.49Å; S409-V423 PolarHBondContact OG-O 3.44Å; H421-V423 HydrophobicContact CB-CG2 3.8Å; V423-I430 HydrophobicContact CG1-CG2 4.04Å; V423-V432 HydrophobicContact CG1-CG2 4.29Å; V423-V463 HydrophobicContact CG1-CB 4.36Å; V423-V463 HydrophobicContact CG1-CG1 3.72Å; V423-V465 HydrophobicContact CB-CG2 4.41Å; V423-V465 HydrophobicContact CG1-CG2 3.93Å; V423-V465 HydrophobicContact CG2-CB 4.33Å; V423-V465 HydrophobicContact CG2-CG2 3.56Å |
| 424 | L | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.1 | 166.3 | -47.3 | -173.8 | 0 | 0 | 0 | 110.6 | Y3 A406 R407 S408 I430 I431 L799 I811 L843 | Y3-L424 HydrophobicContact CD2-CD1 3.73Å; Y3-L424 HydrophobicContact CD2-CD2 4.03Å; Y3-L424 HydrophobicContact CE2-CD1 4.33Å; Y3-L424 HydrophobicContact CE2-CD2 3.92Å; Y3-L424 HydrophobicContact CG-CD1 4.42Å; A406-L424 HydrophobicContact CB-CB 3.9Å; A406-L424 HydrophobicContact CB-CD1 3.68Å; A406-L424 HydrophobicContact CB-CG 4.47Å; R407-L424 CarbonylContact O-C 3.57Å; R407-L424 WeakPolarHBondContact O-CA 3.46Å; S408-L424 VanDerWaalsContact CA-CD2 3.46Å; L424-I430 CarbonylContact O-C 3.59Å; L424-I430 WeakPolarHBondContact O-CA 3.45Å; L424-I430 WeakPolarHBondContact O-CG2 3.34Å; L424-I431 HydrophobicContact CB-CB 4.27Å; L424-I431 PolarHBondContact N-O 3.23Å; L424-I431 PolarHBondContact O-N 3.05Å; L424-L799 HydrophobicContact CD2-CD1 4.03Å; L424-I811 HydrophobicContact CD1-CD1 3.64Å; L424-I811 HydrophobicContact CD2-CD1 4.04Å; L424-I811 HydrophobicContact CG-CD1 3.77Å; L424-L843 HydrophobicContact CD1-CD1 3.63Å |
| 425 | Q | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.4 | 172.2 | 50.5 | -175.7 | 71.6 | 0 | 0 | 109.4 | Y344 R407 S409 V460 R461 V463 | Y344-Q425 HydrophobicContact CE1-CG 4.3Å; Y344-Q425 WeakPolarHBondContact CE1-O 3.28Å; Y344-Q425 PolarHBondContact OH-NE2 3.45Å; R407-Q425 PolarHBondContact N-O 3.31Å; R407-Q425 WeakPolarHBondContact O-CG 3.35Å; R407-Q425 PolarHBondContact O-N 3.07Å; S409-Q425 PolarHBondContact OG-OE1 3.06Å; Q425-V460 HydrophobicContact CB-CG1 4.21Å; Q425-R461 PolarHBondContact NE2-O 3.03Å; Q425-V463 HydrophobicContact CB-CG2 3.94Å |
| 426 | T | 91.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | trans | -111.7 | -165.4 | 166.8 | 62.8 | 0 | 0 | 0 | 0 | 108.3 | A406 D428 R429 | A406-T426 HydrophobicContact CB-CG2 3.64Å; T426-D428 VanDerWaalsContact C-N 3.31Å; T426-D428 PolarHBondContact O-N 3.44Å; T426-D428 PolarHBondContact OG1-N 3.34Å; T426-D428 PolarHBondContact OG1-OD1 2.88Å; T426-R429 HydrophobicContact CG2-CG 4.24Å; T426-R429 PolarHBondContact N-O 2.88Å; T426-R429 WeakPolarHBondContact OG1-CG 3.11Å; T426-R429 PolarHBondContact OG1-N 3.38Å; T426-R429 VanDerWaalsContact OG1-N 3.09Å; T426-R429 PolarHBondContact OG1-O 2.75Å | ||
| 427 | T | 88.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 21.7 Ų | 21.7 | 14% | 0.135 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -53.6 | -39.5 | 169.3 | 34.1 | 0 | 0 | 0 | 0 | 115.1 | Y344 W458 V460 | Y344-T427 HydrophobicContact CD2-CG2 3.93Å; Y344-T427 HydrophobicContact CG-CG2 4.14Å; T427-W458 HydrophobicContact CG2-CZ2 3.58Å; T427-V460 PolarHBondContact O-N 3.15Å; T427-V460 VanDerWaalsContact O-N 3.1Å |
| 428 | D | 88.7 | Confident | 85.2 | Confident | 54 Ų | 54 | 21.3 Ų | 21.3 | 29% | 0.289 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -141.7 | -11.7 | -157.2 | 62.4 | -63.3 | 0 | 0 | 0 | 114.6 | T426 V449 I454 | T426-D428 VanDerWaalsContact C-N 3.31Å; T426-D428 PolarHBondContact O-N 3.44Å; T426-D428 PolarHBondContact OG1-N 3.34Å; T426-D428 PolarHBondContact OG1-OD1 2.88Å; D428-V449 VanDerWaalsContact O-CB 3.26Å; D428-V449 WeakPolarHBondContact O-CB 3.27Å; D428-V449 WeakPolarHBondContact O-CG2 3.11Å; D428-V449 PolarHBondContact O-N 3.18Å; D428-V449 VanDerWaalsContact O-N 3.14Å; D428-I454 HydrophobicContact CB-CG1 4.49Å |
| 429 | R | 90.5 | Very high | 83.8 | Confident | 80 Ų | 80 | 25 Ų | 25 | 30% | 0.302 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.8 | -174.2 | 55.3 | -171.7 | 154.5 | 158.7 | 1.8 | 111.4 | T426 L447 L448 | T426-R429 HydrophobicContact CG2-CG 4.24Å; T426-R429 PolarHBondContact N-O 2.88Å; T426-R429 WeakPolarHBondContact OG1-CG 3.11Å; T426-R429 PolarHBondContact OG1-N 3.38Å; T426-R429 VanDerWaalsContact OG1-N 3.09Å; T426-R429 PolarHBondContact OG1-O 2.75Å; R429-L447 WeakPolarHBondContact CA-O 3.44Å; R429-L448 HydrophobicContact CB-CD2 3.91Å |
| 430 | I | 92.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.3 | -176.4 | -52.6 | 173 | 0 | 0 | 0 | 107.9 | V423 L424 V432 L447 V449 V463 V474 W490 | V423-I430 HydrophobicContact CG1-CG2 4.04Å; L424-I430 CarbonylContact O-C 3.59Å; L424-I430 WeakPolarHBondContact O-CA 3.45Å; L424-I430 WeakPolarHBondContact O-CG2 3.34Å; I430-V432 HydrophobicContact CG2-CG2 3.62Å; I430-L447 PolarHBondContact N-O 2.84Å; I430-L447 PolarHBondContact O-N 2.8Å; I430-V449 HydrophobicContact CD1-CG2 4.41Å; I430-V449 HydrophobicContact CG1-CG2 4.44Å; I430-V463 HydrophobicContact CD1-CG1 4.09Å; I430-V463 HydrophobicContact CD1-CG2 3.61Å; I430-V463 HydrophobicContact CG1-CG2 4.06Å; I430-V463 HydrophobicContact CG2-CG1 4.15Å; I430-V463 HydrophobicContact CG2-CG2 4.43Å; I430-V474 HydrophobicContact CD1-CB 4.23Å; I430-V474 HydrophobicContact CD1-CG1 3.88Å; I430-V474 HydrophobicContact CD1-CG2 3.27Å; I430-W490 HydrophobicContact CD1-CH2 4.47Å |
| 431 | I | 91.7 | Very high | 81.2 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111 | -176.2 | -50.2 | -175.5 | 0 | 0 | 0 | 106.9 | A406 L424 T444 N446 L843 | A406-I431 HydrophobicContact CB-CD1 4.32Å; L424-I431 HydrophobicContact CB-CB 4.27Å; L424-I431 PolarHBondContact N-O 3.23Å; L424-I431 PolarHBondContact O-N 3.05Å; I431-T444 HydrophobicContact CG2-CG2 3.97Å; I431-N446 WeakPolarHBondContact CG1-OD1 3.35Å; I431-L843 HydrophobicContact CD1-CD1 3.6Å; I431-L843 HydrophobicContact CG2-CD1 4.25Å |
| 432 | V | 89.4 | Confident | 80 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141 | -170.3 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | I422 V423 I430 E445 L447 I472 | I422-V432 CarbonylContact O-C 3.56Å; I422-V432 WeakPolarHBondContact O-CA 3.47Å; V423-V432 HydrophobicContact CG1-CG2 4.29Å; I430-V432 HydrophobicContact CG2-CG2 3.62Å; V432-E445 PolarHBondContact N-O 2.61Å; V432-E445 PolarHBondContact O-N 3.05Å; V432-L447 HydrophobicContact CG2-CD1 4.29Å; V432-I472 HydrophobicContact CG2-CD1 4.14Å |
| 433 | A | 85.3 | Confident | 79 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I422 L438 T444 | I422-A433 HydrophobicContact CB-CB 4.32Å; I422-A433 PolarHBondContact N-O 2.99Å; I422-A433 PolarHBondContact O-N 3.24Å; A433-L438 HydrophobicContact CB-CD2 3.68Å; A433-T444 HydrophobicContact CB-CG2 4.35Å |
| 434 | N | 80.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -69 | 138.5 | 176.4 | -174.3 | -4.4 | 0 | 0 | 0 | 109.5 | H421 D436 L437 L438 D468 G469 | H421-N434 PolarHBondContact CE1-OD1 3.47Å; H421-N434 VanDerWaalsContact CE1-OD1 3.27Å; H421-N434 PolarHBondContact ND1-OD1 3.08Å; N434-D436 VanDerWaalsContact C-N 3.32Å; N434-D436 PolarHBondContact O-N 3.42Å; N434-L437 HydrophobicContact CB-CD1 4.33Å; N434-L437 HydrophobicContact CB-CG 4.41Å; N434-L437 WeakPolarHBondContact O-CB 3.39Å; N434-L437 PolarHBondContact O-N 2.75Å; N434-L438 PolarHBondContact O-N 3.06Å; N434-D468 PolarHBondContact ND2-O 2.87Å; N434-G469 WeakPolarHBondContact ND2-CA 3.5Å; N434-G469 PolarHBondContact ND2-O 3.46Å | ||
| 435 | R | 75.3 | Confident | 77.8 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 18% | 0.177 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -51.9 | -49.4 | -177.8 | -177.7 | 178.8 | 164.2 | -146.2 | -16.2 | 112 | H421 L437 L438 | H421-R435 PolarHBondContact ND1-N 3.13Å; R435-L437 PolarHBondContact O-N 3.41Å; R435-L437 VanDerWaalsContact O-N 3.1Å; R435-L438 WeakPolarHBondContact O-CB 3.07Å; R435-L438 PolarHBondContact O-N 3.49Å |
| 436 | D | 69.7 | Low | 77.6 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -18.8 | -177.8 | -66.9 | 8.1 | 0 | 0 | 0 | 113 | N434 | N434-D436 VanDerWaalsContact C-N 3.32Å; N434-D436 PolarHBondContact O-N 3.42Å |
| 437 | L | 67.1 | Low | 77.6 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -92.3 | -22.5 | 175.1 | -62.6 | 179 | 0 | 0 | 0 | 112.9 | N434 R435 T439 S440 R441 | N434-L437 HydrophobicContact CB-CD1 4.33Å; N434-L437 HydrophobicContact CB-CG 4.41Å; N434-L437 WeakPolarHBondContact O-CB 3.39Å; N434-L437 PolarHBondContact O-N 2.75Å; R435-L437 PolarHBondContact O-N 3.41Å; R435-L437 VanDerWaalsContact O-N 3.1Å; L437-T439 PolarHBondContact O-N 3.08Å; L437-T439 VanDerWaalsContact O-N 3.15Å; L437-S440 CarbonylContact O-C 3.57Å; L437-S440 PolarHBondContact O-N 3.22Å; L437-S440 PolarHBondContact O-OG 2.99Å; L437-R441 PolarHBondContact O-N 2.54Å |
| 438 | L | 62.5 | Low | 77.7 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -33.6 | -174.3 | -67.4 | 173.4 | 0 | 0 | 0 | 113.4 | A433 N434 R435 S440 M442 V809 T845 I847 | A433-L438 HydrophobicContact CB-CD2 3.68Å; N434-L438 PolarHBondContact O-N 3.06Å; R435-L438 WeakPolarHBondContact O-CB 3.07Å; R435-L438 PolarHBondContact O-N 3.49Å; L438-S440 VanDerWaalsContact C-N 3.33Å; L438-M442 WeakPolarHBondContact O-CE 3.27Å; L438-M442 VanDerWaalsContact O-SD 3.34Å; L438-V809 HydrophobicContact CD1-CB 4.3Å; L438-V809 HydrophobicContact CD1-CG1 3.81Å; L438-V809 HydrophobicContact CD1-CG2 4.01Å; L438-V809 HydrophobicContact CD2-CG1 4.01Å; L438-T845 HydrophobicContact CD2-CG2 4.12Å; L438-I847 HydrophobicContact CB-CD1 4.31Å |
| 439 | T | 60.5 | Low | 77.9 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.1 | 177.8 | 55 | 0 | 0 | 0 | 0 | 114 | L437 E805 | L437-T439 PolarHBondContact O-N 3.08Å; L437-T439 VanDerWaalsContact O-N 3.15Å; T439-E805 WeakPolarHBondContact CG2-OE1 3.32Å; T439-E805 WeakPolarHBondContact CG2-OE2 3.5Å |
| 440 | S | 59.4 | Low | 78 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -20.8 | -174.1 | 66.8 | 0 | 0 | 0 | 0 | 114.9 | L437 L438 | L437-S440 CarbonylContact O-C 3.57Å; L437-S440 PolarHBondContact O-N 3.22Å; L437-S440 PolarHBondContact O-OG 2.99Å; L438-S440 VanDerWaalsContact C-N 3.33Å |
| 441 | R | 56.9 | Low | 77.8 | Confident | 153 Ų | 153 | 65.7 Ų | 65.7 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | trans | -148.5 | 103 | -178.8 | -66.6 | -174.5 | 179.2 | -175.1 | 1.9 | 110.1 | L437 Q443 | L437-R441 PolarHBondContact O-N 2.54Å; R441-Q443 PolarHBondContact O-N 3.01Å | ||
| 442 | M | 62.9 | Low | 77.6 | Confident | 104 Ų | 104 | 74 Ų | 74 | 51% | 0.512 | 37% | 0.371 | S | S | . | . | trans | -74.1 | 27.4 | 174.2 | -55.2 | -68.3 | 168.6 | 0 | 0 | 113.4 | L438 I847 | L438-M442 WeakPolarHBondContact O-CE 3.27Å; L438-M442 VanDerWaalsContact O-SD 3.34Å; M442-I847 HydrophobicContact CE-CD1 3.88Å; M442-I847 HydrophobicContact SD-CD1 3.55Å; M442-I847 VanDerWaalsContact SD-CD1 3.55Å; M442-I847 HydrophobicContact SD-CG1 3.99Å | ||
| 443 | Q | 67.2 | Low | 77.7 | Confident | 129 Ų | 129 | 73.8 Ų | 73.8 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | trans | -115.1 | 130.1 | -172.7 | -62.9 | -167.2 | -53 | 0 | 0 | 110.3 | R441 | R441-Q443 PolarHBondContact O-N 3.01Š| ||
| 444 | T | 78.2 | Confident | 77.8 | Confident | 35 Ų | 35 | 74.4 Ų | 74.4 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | trans | -75.7 | 140 | 174.4 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | I431 A433 | I431-T444 HydrophobicContact CG2-CG2 3.97Å; A433-T444 HydrophobicContact CB-CG2 4.35Å | ||
| 445 | E | 83.3 | Confident | 78.1 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.7 | 172.1 | -62.5 | -164.1 | 163.4 | 0 | 0 | 109.8 | V432 | V432-E445 PolarHBondContact N-O 2.61Å; V432-E445 PolarHBondContact O-N 3.05Å |
| 446 | N | 88.2 | Confident | 78.5 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.8 | 178.6 | -68.4 | -50.2 | 0 | 0 | 0 | 109.7 | I431 | I431-N446 WeakPolarHBondContact CG1-OD1 3.35Å |
| 447 | L | 90.9 | Very high | 79.4 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.094 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 116 | 179.5 | -60.3 | 176 | 0 | 0 | 0 | 110.3 | R429 I430 V432 I472 Y483 | R429-L447 WeakPolarHBondContact CA-O 3.44Å; I430-L447 PolarHBondContact N-O 2.84Å; I430-L447 PolarHBondContact O-N 2.8Å; V432-L447 HydrophobicContact CG2-CD1 4.29Å; L447-I472 HydrophobicContact CD1-CD1 3.47Å; L447-I472 VanDerWaalsContact CD1-CD1 3.47Å; L447-Y483 HydrophobicContact CD1-CD1 3.91Å; L447-Y483 HydrophobicContact CD1-CE1 4.01Å; L447-Y483 HydrophobicContact CD2-CD1 4.39Å; L447-Y483 HydrophobicContact CD2-CE1 3.74Å |
| 448 | L | 91.9 | Very high | 80.3 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.9 | 172.2 | -62.2 | 177.6 | 0 | 0 | 0 | 110.2 | R429 W490 | R429-L448 HydrophobicContact CB-CD2 3.91Å; L448-W490 WeakPolarHBondContact O-CZ2 3.35Å; L448-W490 PolarHBondContact O-NE1 3.34Å; L448-W490 VanDerWaalsContact O-NE1 3.16Å |
| 449 | V | 92.3 | Very high | 81.5 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 142.5 | 171.6 | 177.4 | 0 | 0 | 0 | 0 | 109.1 | D428 I430 K451 Y453 I454 V460 V474 I481 W490 | D428-V449 VanDerWaalsContact O-CB 3.26Å; D428-V449 WeakPolarHBondContact O-CB 3.27Å; D428-V449 WeakPolarHBondContact O-CG2 3.11Å; D428-V449 PolarHBondContact O-N 3.18Å; D428-V449 VanDerWaalsContact O-N 3.14Å; I430-V449 HydrophobicContact CD1-CG2 4.41Å; I430-V449 HydrophobicContact CG1-CG2 4.44Å; V449-K451 PolarHBondContact O-N 2.98Å; V449-Y453 HydrophobicContact CG1-CD1 3.83Å; V449-I454 HydrophobicContact CG1-CB 4.19Å; V449-I454 HydrophobicContact CG1-CD1 4.29Å; V449-V460 HydrophobicContact CG2-CG2 3.95Å; V449-V474 HydrophobicContact CG2-CG1 4.42Å; V449-I481 HydrophobicContact CG1-CD1 3.98Å; V449-W490 HydrophobicContact CG2-CH2 4.43Å |
| 450 | P | 92.9 | Very high | 83 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 128.4 | 179.3 | -25.4 | 35.8 | 0 | 0 | 0 | 112.3 | Q452 Y453 I454 I481 W490 | P450-Q452 PolarHBondContact O-N 2.85Å; P450-Q452 VanDerWaalsContact O-N 3.16Å; P450-Y453 PolarHBondContact O-N 3.02Å; P450-I454 PolarHBondContact O-N 3.38Å; P450-I454 VanDerWaalsContact O-N 3.08Å; P450-I481 HydrophobicContact CG-CD1 4.13Å; P450-W490 HydrophobicContact CG-CB 3.81Å; P450-W490 HydrophobicContact CG-CD2 3.87Å; P450-W490 HydrophobicContact CG-CG 3.48Å; P450-W490 VanDerWaalsContact CG-CG 3.48Å |
| 451 | K | 88.2 | Confident | 84.5 | Confident | 171 Ų | 171 | 65.8 Ų | 65.8 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -51.8 | -41 | -179.6 | -72.1 | -163.7 | 173.6 | -164.9 | 0 | 113.1 | V449 Y453 I454 N455 | V449-K451 PolarHBondContact O-N 2.98Å; K451-Y453 VanDerWaalsContact C-N 3.25Å; K451-Y453 PolarHBondContact O-N 3.08Å; K451-I454 PolarHBondContact O-N 3.3Å; K451-N455 WeakPolarHBondContact O-CB 3.42Å; K451-N455 PolarHBondContact O-N 2.81Å; K451-N455 PolarHBondContact O-OD1 3.12Å; K451-N455 VanDerWaalsContact O-OD1 3.11Å |
| 452 | Q | 86.7 | Confident | 86.2 | Confident | 176 Ų | 176 | 60 Ų | 60 | 82% | 0.822 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -57 | -36 | 177.6 | -69.2 | 175.6 | -27.5 | 0 | 0 | 113.3 | P450 | P450-Q452 PolarHBondContact O-N 2.85Å; P450-Q452 VanDerWaalsContact O-N 3.16Å |
| 453 | Y | 91.1 | Very high | 87.8 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81 | -45 | 177.4 | -179.5 | -105.9 | 0 | 0 | 0 | 111.5 | V449 P450 K451 N455 S456 N457 G476 N478 G479 I481 E499 | V449-Y453 HydrophobicContact CG1-CD1 3.83Å; P450-Y453 PolarHBondContact O-N 3.02Å; K451-Y453 VanDerWaalsContact C-N 3.25Å; K451-Y453 PolarHBondContact O-N 3.08Å; Y453-N455 PolarHBondContact O-N 2.78Å; Y453-S456 PolarHBondContact O-N 2.89Å; Y453-N457 HydrophobicContact CD1-CB 4.48Å; Y453-N457 HydrophobicContact CD2-CB 4.35Å; Y453-N457 WeakPolarHBondContact CD2-ND2 3.39Å; Y453-N457 HydrophobicContact CE1-CB 4.04Å; Y453-N457 HydrophobicContact CE2-CB 3.87Å; Y453-N457 WeakPolarHBondContact CE2-ND2 3.46Å; Y453-N457 WeakPolarHBondContact O-CB 3.39Å; Y453-N457 PolarHBondContact O-N 3.15Å; Y453-N457 PolarHBondContact O-ND2 3.49Å; Y453-G476 PolarHBondContact OH-N 2.88Å; Y453-N478 PolarHBondContact OH-O 2.7Å; Y453-G479 PolarHBondContact OH-O 3.27Å; Y453-G479 VanDerWaalsContact OH-O 3.09Å; Y453-I481 HydrophobicContact CD1-CD1 3.78Å; Y453-I481 HydrophobicContact CD1-CG1 4.18Å; Y453-I481 HydrophobicContact CD1-CG2 4.14Å; Y453-I481 HydrophobicContact CD2-CG2 3.53Å; Y453-I481 HydrophobicContact CE1-CD1 4.33Å; Y453-I481 HydrophobicContact CE1-CG1 4.26Å; Y453-I481 HydrophobicContact CE1-CG2 4.32Å; Y453-I481 HydrophobicContact CE2-CG2 3.77Å; Y453-I481 HydrophobicContact CG-CD1 4.1Å; Y453-I481 HydrophobicContact CG-CG2 3.74Å; Y453-E499 VanDerWaalsContact CD2-OE1 3.24Å; Y453-E499 WeakPolarHBondContact CD2-OE1 3.37Å; Y453-E499 HydrophobicContact CE2-CG 4.31Å; Y453-E499 WeakPolarHBondContact CE2-OE1 3.24Å |
| 454 | I | 89.2 | Confident | 89.1 | Confident | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.3 | -23.9 | -174.7 | -153.8 | 66.3 | 0 | 0 | 0 | 113.5 | D428 V449 P450 K451 W458 V460 | D428-I454 HydrophobicContact CB-CG1 4.49Å; V449-I454 HydrophobicContact CG1-CB 4.19Å; V449-I454 HydrophobicContact CG1-CD1 4.29Å; P450-I454 PolarHBondContact O-N 3.38Å; P450-I454 VanDerWaalsContact O-N 3.08Å; K451-I454 PolarHBondContact O-N 3.3Å; I454-W458 WeakPolarHBondContact O-CB 3.27Å; I454-W458 PolarHBondContact O-N 3.03Å; I454-W458 VanDerWaalsContact O-N 3.15Å; I454-V460 HydrophobicContact CD1-CG2 3.98Å |
| 455 | N | 85.3 | Confident | 89.8 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -48.5 | 172.8 | -86.3 | 40 | 0 | 0 | 0 | 111.1 | K46 D104 K451 Y453 | K46-N455 PolarHBondContact NZ-O 3.4Å; D104-N455 VanDerWaalsContact CG-ND2 3.33Å; D104-N455 PolarHBondContact OD1-ND2 2.79Å; D104-N455 PolarHBondContact OD2-ND2 2.95Å; K451-N455 WeakPolarHBondContact O-CB 3.42Å; K451-N455 PolarHBondContact O-N 2.81Å; K451-N455 PolarHBondContact O-OD1 3.12Å; K451-N455 VanDerWaalsContact O-OD1 3.11Å; Y453-N455 PolarHBondContact O-N 2.78Å |
| 456 | S | 84.4 | Confident | 90.2 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80 | -36.6 | -179.1 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | Y453 | Y453-S456 PolarHBondContact O-N 2.89Å |
| 457 | N | 88.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -114.7 | 27.5 | -166.8 | -57.2 | -64 | 0 | 0 | 0 | 113.8 | Y453 G476 R477 N478 E499 | Y453-N457 HydrophobicContact CD1-CB 4.48Å; Y453-N457 HydrophobicContact CD2-CB 4.35Å; Y453-N457 WeakPolarHBondContact CD2-ND2 3.39Å; Y453-N457 HydrophobicContact CE1-CB 4.04Å; Y453-N457 HydrophobicContact CE2-CB 3.87Å; Y453-N457 WeakPolarHBondContact CE2-ND2 3.46Å; Y453-N457 WeakPolarHBondContact O-CB 3.39Å; Y453-N457 PolarHBondContact O-N 3.15Å; Y453-N457 PolarHBondContact O-ND2 3.49Å; N457-G476 CarbonylContact O-C 3.55Å; N457-G476 WeakPolarHBondContact O-CA 3.5Å; N457-R477 PolarHBondContact O-N 3.25Å; N457-N478 WeakPolarHBondContact OD1-CB 3.33Å; N457-N478 PolarHBondContact OD1-N 2.92Å; N457-N478 PolarHBondContact OD1-O 2.95Å; N457-N478 VanDerWaalsContact OD1-O 3.05Å; N457-E499 PolarHBondContact ND2-OE1 2.83Å |
| 458 | W | 85.9 | Confident | 89.8 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | trans | -62.2 | 145.8 | 174.5 | -170.2 | 91.4 | 0 | 0 | 0 | 112 | E30 K46 T427 I454 | E30-W458 HydrophobicContact CB-CZ3 4.48Å; E30-W458 HydrophobicContact CG-CE3 3.88Å; E30-W458 HydrophobicContact CG-CZ3 3.58Å; K46-W458 HydrophobicContact CB-CD2 4.1Å; K46-W458 HydrophobicContact CB-CE3 4.37Å; K46-W458 HydrophobicContact CB-CH2 4.37Å; K46-W458 HydrophobicContact CB-CZ2 4.07Å; K46-W458 HydrophobicContact CD-CB 4.15Å; K46-W458 HydrophobicContact CD-CD2 4.23Å; K46-W458 HydrophobicContact CD-CG 4.03Å; K46-W458 HydrophobicContact CG-CD2 3.94Å; K46-W458 HydrophobicContact CG-CG 3.94Å; T427-W458 HydrophobicContact CG2-CZ2 3.58Å; I454-W458 WeakPolarHBondContact O-CB 3.27Å; I454-W458 PolarHBondContact O-N 3.03Å; I454-W458 VanDerWaalsContact O-N 3.15Å | ||
| 459 | P | 88.7 | Confident | 89.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | S | Bend | cis | -85.5 | 175.5 | -15 | 39.3 | -38.6 | 0 | 0 | 0 | 111.1 | H342 Y344 R461 G476 | H342-P459 HydrophobicContact CB-CG 4.39Å; Y344-P459 HydrophobicContact CD2-CB 4.23Å; Y344-P459 HydrophobicContact CE2-CB 3.93Å; Y344-P459 HydrophobicContact CE2-CG 4.14Å; P459-R461 HydrophobicContact CG-CG 4.47Å; P459-R461 PolarHBondContact O-N 3.39Å; P459-G476 CarbonylContact O-C 3.52Å; P459-G476 VanDerWaalsContact O-CA 3.24Å; P459-G476 WeakPolarHBondContact O-CA 3.43Å |
| 460 | V | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -56.7 | 132.9 | 159.8 | 178 | 0 | 0 | 0 | 0 | 109.8 | Y344 Q425 T427 V449 I454 V463 V474 | Y344-V460 VanDerWaalsContact CE2-O 3.3Å; Y344-V460 WeakPolarHBondContact CE2-O 3.38Å; Y344-V460 PolarHBondContact OH-O 3.04Å; Q425-V460 HydrophobicContact CB-CG1 4.21Å; T427-V460 PolarHBondContact O-N 3.15Å; T427-V460 VanDerWaalsContact O-N 3.1Å; V449-V460 HydrophobicContact CG2-CG2 3.95Å; I454-V460 HydrophobicContact CD1-CG2 3.98Å; V460-V463 HydrophobicContact CG1-CG2 3.74Å; V460-V474 HydrophobicContact CG1-CG1 3.86Å; V460-V474 HydrophobicContact CG2-CG1 4.1Å | ||
| 461 | R | 90.2 | Very high | 89.3 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 24% | 0.242 | 21% | 0.209 | C | C | . | . | trans | -116.4 | -48.2 | -178.7 | -71 | 177.6 | 64.6 | 173.7 | 1.5 | 112.9 | Q425 P459 S475 G476 H503 | Q425-R461 PolarHBondContact NE2-O 3.03Å; P459-R461 HydrophobicContact CG-CG 4.47Å; P459-R461 PolarHBondContact O-N 3.39Å; R461-S475 PolarHBondContact N-O 3.01Å; R461-G476 WeakPolarHBondContact CD-O 3.39Å; R461-H503 PolarHBondContact NH1-CE1 3.04Å; R461-H503 PolarHBondContact NH1-NE2 2.81Å | ||
| 462 | Y | 94 | Very high | 89.6 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 13% | 0.129 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.9 | -179.2 | -54.5 | -76.9 | 0 | 0 | 0 | 110.2 | A412 N413 V474 S475 V504 M508 | A412-Y462 WeakPolarHBondContact O-CD1 3.49Å; A412-Y462 WeakPolarHBondContact O-CE1 3.26Å; N413-Y462 HydrophobicContact CB-CD1 4.24Å; Y462-V474 WeakPolarHBondContact O-CA 3.24Å; Y462-S475 PolarHBondContact N-O 3.39Å; Y462-S475 PolarHBondContact O-N 3.06Å; Y462-V504 HydrophobicContact CD2-CB 4.28Å; Y462-V504 HydrophobicContact CD2-CG1 3.83Å; Y462-V504 HydrophobicContact CE2-CB 4.44Å; Y462-V504 HydrophobicContact CE2-CG1 4.07Å; Y462-M508 WeakPolarHBondContact O-CE 2.91Å |
| 463 | V | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.5 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 109 | N413 N418 V423 Q425 I430 V460 V465 I472 A473 V474 | N413-V463 PolarHBondContact ND2-O 3.46Å; N418-V463 PolarHBondContact ND2-O 3.19Å; V423-V463 HydrophobicContact CG1-CB 4.36Å; V423-V463 HydrophobicContact CG1-CG1 3.72Å; Q425-V463 HydrophobicContact CB-CG2 3.94Å; I430-V463 HydrophobicContact CD1-CG1 4.09Å; I430-V463 HydrophobicContact CD1-CG2 3.61Å; I430-V463 HydrophobicContact CG1-CG2 4.06Å; I430-V463 HydrophobicContact CG2-CG1 4.15Å; I430-V463 HydrophobicContact CG2-CG2 4.43Å; V460-V463 HydrophobicContact CG1-CG2 3.74Å; V463-V465 HydrophobicContact CG1-CG2 4.39Å; V463-I472 HydrophobicContact CG1-CG2 3.86Å; V463-A473 WeakPolarHBondContact CA-O 3.08Å; V463-V474 HydrophobicContact CG2-CG1 4.44Å |
| 464 | A | 95 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N418 I472 A473 M508 W510 | N418-A464 WeakPolarHBondContact OD1-CA 3.4Å; A464-I472 CarbonylContact O-C 3.56Å; A464-I472 WeakPolarHBondContact O-CA 3.22Å; A464-A473 HydrophobicContact CB-CB 4.4Å; A464-A473 PolarHBondContact N-O 2.78Å; A464-A473 PolarHBondContact O-N 3.35Å; A464-M508 HydrophobicContact CB-CB 3.96Å; A464-M508 HydrophobicContact CB-CE 4.46Å; A464-M508 VanDerWaalsContact CB-O 3.24Å; A464-M508 WeakPolarHBondContact CB-O 3.31Å; A464-W510 PolarHBondContact O-NE1 2.89Å |
| 465 | V | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.6 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | D417 N418 H421 V423 V463 I472 | D417-V465 WeakPolarHBondContact CB-O 3.35Å; N418-V465 PolarHBondContact OD1-N 3.13Å; H421-V465 HydrophobicContact CB-CG1 4.47Å; V423-V465 HydrophobicContact CB-CG2 4.41Å; V423-V465 HydrophobicContact CG1-CG2 3.93Å; V423-V465 HydrophobicContact CG2-CB 4.33Å; V423-V465 HydrophobicContact CG2-CG2 3.56Å; V463-V465 HydrophobicContact CG1-CG2 4.39Å; V465-I472 HydrophobicContact CG1-CG1 4.31Å; V465-I472 HydrophobicContact CG2-CG1 4.16Å; V465-I472 HydrophobicContact CG2-CG2 4.21Å |
| 466 | S | 91.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | trans | -66.8 | 157.2 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | H421 D468 G469 K470 K471 W510 | H421-S466 PolarHBondContact NE2-O 3.34Å; S466-D468 WeakPolarHBondContact CB-OD1 3.34Å; S466-D468 PolarHBondContact O-N 3.04Å; S466-D468 PolarHBondContact OG-OD1 2.79Å; S466-G469 WeakPolarHBondContact O-CA 3.43Å; S466-G469 PolarHBondContact O-N 3.41Å; S466-K470 PolarHBondContact OG-N 3.41Å; S466-K471 PolarHBondContact N-O 2.81Å; S466-K471 PolarHBondContact OG-N 3.42Å; S466-K471 PolarHBondContact OG-O 3.16Å; S466-W510 VanDerWaalsContact N-CD1 3.28Å | ||
| 467 | T | 86.6 | Confident | 90.9 | Very high | 84 Ų | 84 | 22.6 Ų | 22.6 | 52% | 0.515 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -10.5 | -173.1 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | D417 L420 | D417-T467 HydrophobicContact CB-CG2 3.97Å; D417-T467 VanDerWaalsContact OD1-CG2 3.25Å; D417-T467 WeakPolarHBondContact OD1-CG2 3.19Å; L420-T467 HydrophobicContact CD1-CG2 4.03Å |
| 468 | D | 84.9 | Confident | 91 | Very high | 65 Ų | 65 | 24.1 Ų | 24.1 | 35% | 0.348 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 0.2 | 171.8 | 61 | 2.1 | 0 | 0 | 0 | 113.1 | N434 S466 K470 | N434-D468 PolarHBondContact ND2-O 2.87Å; S466-D468 WeakPolarHBondContact CB-OD1 3.34Å; S466-D468 PolarHBondContact O-N 3.04Å; S466-D468 PolarHBondContact OG-OD1 2.79Å; D468-K470 HydrophobicContact CB-CD 4.38Å; D468-K470 HydrophobicContact CB-CG 4.35Å; D468-K470 PolarHBondContact O-N 3.03Å; D468-K470 WeakPolarHBondContact OD1-CB 3.39Å; D468-K470 PolarHBondContact OD1-N 3.12Å; D468-K470 WeakPolarHBondContact OD2-CD 3.4Å |
| 469 | G | 86.9 | Confident | 91.2 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 61.3 | 16.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | H421 N434 S466 | H421-G469 PolarHBondContact NE2-N 3.18Å; N434-G469 WeakPolarHBondContact ND2-CA 3.5Å; N434-G469 PolarHBondContact ND2-O 3.46Å; S466-G469 WeakPolarHBondContact O-CA 3.43Å; S466-G469 PolarHBondContact O-N 3.41Å |
| 470 | K | 87.3 | Confident | 91.5 | Very high | 75 Ų | 75 | 23.2 Ų | 23.2 | 33% | 0.326 | 11% | 0.109 | S | C | . | . | trans | -92.2 | -24.2 | -175.8 | -71.2 | 176.8 | 168.4 | -96.7 | 0 | 115.1 | S466 D468 T485 D486 | S466-K470 PolarHBondContact OG-N 3.41Å; D468-K470 HydrophobicContact CB-CD 4.38Å; D468-K470 HydrophobicContact CB-CG 4.35Å; D468-K470 PolarHBondContact O-N 3.03Å; D468-K470 WeakPolarHBondContact OD1-CB 3.39Å; D468-K470 PolarHBondContact OD1-N 3.12Å; D468-K470 WeakPolarHBondContact OD2-CD 3.4Å; K470-T485 VanDerWaalsContact CA-OG1 3.31Å; K470-T485 WeakPolarHBondContact CA-OG1 3.33Å; K470-T485 WeakPolarHBondContact O-CG2 3.25Å; K470-T485 PolarHBondContact O-N 3.16Å; K470-T485 PolarHBondContact O-OG1 2.74Å; K470-T485 VanDerWaalsContact O-OG1 3.13Å; K470-D486 IonicContact NZ-OD1 3.7Å; K470-D486 PolarHBondContact NZ-OD1 3.26Å; K470-D486 IonicContact NZ-OD2 3.98Å; K470-D486 PolarHBondContact NZ-OD2 3.15Å | ||
| 471 | K | 92 | Very high | 91.6 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 12% | 0.122 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133 | -178.1 | -61 | -178.2 | 171.9 | -178.6 | 0 | 109.6 | S466 Y483 W510 S534 D535 | S466-K471 PolarHBondContact N-O 2.81Å; S466-K471 PolarHBondContact OG-N 3.42Å; S466-K471 PolarHBondContact OG-O 3.16Å; K471-Y483 WeakPolarHBondContact CA-O 3.36Å; K471-W510 HydrophobicContact CB-CH2 3.41Å; K471-W510 VanDerWaalsContact CB-CH2 3.41Å; K471-W510 HydrophobicContact CB-CZ2 3.59Å; K471-W510 HydrophobicContact CB-CZ3 3.93Å; K471-W510 HydrophobicContact CD-CH2 4.04Å; K471-W510 HydrophobicContact CD-CZ3 3.97Å; K471-W510 HydrophobicContact CG-CH2 4.32Å; K471-S534 WeakPolarHBondContact CD-OG 3.4Å; K471-S534 PolarHBondContact NZ-OG 2.61Å; K471-D535 IonicContact NZ-OD1 3.89Å; K471-D535 PolarHBondContact NZ-OD1 3.46Å; K471-D535 IonicContact NZ-OD2 2.73Å |
| 472 | I | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 108.7 | -171.1 | -56.4 | 170.9 | 0 | 0 | 0 | 108.3 | V432 L447 V463 A464 V465 V474 H482 Y483 T485 | V432-I472 HydrophobicContact CG2-CD1 4.14Å; L447-I472 HydrophobicContact CD1-CD1 3.47Å; L447-I472 VanDerWaalsContact CD1-CD1 3.47Å; V463-I472 HydrophobicContact CG1-CG2 3.86Å; A464-I472 CarbonylContact O-C 3.56Å; A464-I472 WeakPolarHBondContact O-CA 3.22Å; V465-I472 HydrophobicContact CG1-CG1 4.31Å; V465-I472 HydrophobicContact CG2-CG1 4.16Å; V465-I472 HydrophobicContact CG2-CG2 4.21Å; I472-V474 HydrophobicContact CG2-CG2 4.2Å; I472-H482 CarbonylContact O-C 3.53Å; I472-H482 WeakPolarHBondContact O-CA 3.33Å; I472-H482 WeakPolarHBondContact O-CB 3.47Å; I472-Y483 HydrophobicContact CD1-CD1 4.3Å; I472-Y483 PolarHBondContact N-O 3.31Å; I472-Y483 PolarHBondContact O-N 3.05Å; I472-T485 HydrophobicContact CD1-CG2 4.48Å |
| 473 | A | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V463 A464 I481 H482 M508 W510 I515 | V463-A473 WeakPolarHBondContact CA-O 3.08Å; A464-A473 HydrophobicContact CB-CB 4.4Å; A464-A473 PolarHBondContact N-O 2.78Å; A464-A473 PolarHBondContact O-N 3.35Å; A473-I481 CarbonylContact C-O 3.59Å; A473-I481 WeakPolarHBondContact CA-O 3.49Å; A473-H482 HydrophobicContact CB-CB 4.28Å; A473-M508 HydrophobicContact CB-CE 4.02Å; A473-W510 HydrophobicContact CB-CZ2 3.8Å; A473-I515 HydrophobicContact CB-CD1 3.91Å; A473-I515 HydrophobicContact CB-CG1 4.2Å; A473-I515 HydrophobicContact CB-CG2 4.14Å |
| 474 | V | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 121.2 | -171.1 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | I430 V449 V460 Y462 V463 I472 F480 I481 W490 | I430-V474 HydrophobicContact CD1-CB 4.23Å; I430-V474 HydrophobicContact CD1-CG1 3.88Å; I430-V474 HydrophobicContact CD1-CG2 3.27Å; V449-V474 HydrophobicContact CG2-CG1 4.42Å; V460-V474 HydrophobicContact CG1-CG1 3.86Å; V460-V474 HydrophobicContact CG2-CG1 4.1Å; Y462-V474 WeakPolarHBondContact O-CA 3.24Å; V463-V474 HydrophobicContact CG2-CG1 4.44Å; I472-V474 HydrophobicContact CG2-CG2 4.2Å; V474-F480 CarbonylContact O-C 3.56Å; V474-F480 WeakPolarHBondContact O-CA 3.49Å; V474-F480 WeakPolarHBondContact O-CB 3.37Å; V474-I481 HydrophobicContact CB-CG1 3.99Å; V474-I481 PolarHBondContact N-O 2.96Å; V474-I481 PolarHBondContact O-N 3.45Å; V474-W490 HydrophobicContact CB-CZ3 4.36Å; V474-W490 HydrophobicContact CG2-CH2 3.81Å; V474-W490 HydrophobicContact CG2-CZ3 3.68Å |
| 475 | S | 94.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.4 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | R461 Y462 G479 V504 | R461-S475 PolarHBondContact N-O 3.01Å; Y462-S475 PolarHBondContact N-O 3.39Å; Y462-S475 PolarHBondContact O-N 3.06Å; S475-G479 PolarHBondContact OG-O 3Å; S475-V504 WeakPolarHBondContact OG-CB 3.31Å; S475-V504 VanDerWaalsContact OG-CG2 3.32Å; S475-V504 WeakPolarHBondContact OG-CG2 3.48Å |
| 476 | G | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -89.5 | -149.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y453 N457 P459 R461 | Y453-G476 PolarHBondContact OH-N 2.88Å; N457-G476 CarbonylContact O-C 3.55Å; N457-G476 WeakPolarHBondContact O-CA 3.5Å; P459-G476 CarbonylContact O-C 3.52Å; P459-G476 VanDerWaalsContact O-CA 3.24Å; P459-G476 WeakPolarHBondContact O-CA 3.43Å; R461-G476 WeakPolarHBondContact CD-O 3.39Å | ||
| 477 | R | 86.6 | Confident | 91.1 | Very high | 94 Ų | 94 | 30.1 Ų | 30.1 | 36% | 0.355 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -57.2 | -55.8 | 172.9 | -170.2 | 169.2 | -177.9 | 156.4 | 0.6 | 111.6 | E30 N457 H503 | E30-R477 IonicContact OE1-CZ 3.26Å; E30-R477 IonicContact OE1-NH1 2.89Å; E30-R477 PolarHBondContact OE1-NH1 3.31Å; E30-R477 IonicContact OE2-NH1 3.21Å; E30-R477 PolarHBondContact OE2-NH1 3.43Å; E30-R477 VanDerWaalsContact OE2-NH1 3.12Å; N457-R477 PolarHBondContact O-N 3.25Å; R477-H503 PolarHBondContact O-CD2 3.14Å |
| 478 | N | 88.9 | Confident | 91.3 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -121.9 | 163.3 | 171.3 | -60 | -21.6 | 0 | 0 | 0 | 110.9 | Y453 N457 N500 | Y453-N478 PolarHBondContact OH-O 2.7Å; N457-N478 WeakPolarHBondContact OD1-CB 3.33Å; N457-N478 PolarHBondContact OD1-N 2.92Å; N457-N478 PolarHBondContact OD1-O 2.95Å; N457-N478 VanDerWaalsContact OD1-O 3.05Å; N478-N500 PolarHBondContact ND2-O 3.25Å |
| 479 | G | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 61.3 | -173.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y453 S475 E499 L502 | Y453-G479 PolarHBondContact OH-O 3.27Å; Y453-G479 VanDerWaalsContact OH-O 3.09Å; S475-G479 PolarHBondContact OG-O 3Å; G479-E499 WeakPolarHBondContact CA-O 3.46Å; G479-E499 PolarHBondContact N-O 2.83Å; G479-L502 PolarHBondContact N-O 2.97Å | ||
| 480 | F | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -150 | 161.7 | 163.6 | 74.6 | -85.3 | 0 | 0 | 0 | 109.7 | V474 F493 L502 M508 I515 L517 Y532 L538 | V474-F480 CarbonylContact O-C 3.56Å; V474-F480 WeakPolarHBondContact O-CA 3.49Å; V474-F480 WeakPolarHBondContact O-CB 3.37Å; F480-F493 AromaticContact CD1-CE2 3.77Å; F480-F493 HydrophobicContact CD1-CE2 3.77Å; F480-F493 HydrophobicContact CD1-CZ 4.13Å; F480-F493 AromaticContact CE1-CE2 3.67Å; F480-F493 HydrophobicContact CE1-CE2 3.67Å; F480-F493 AromaticContact CE1-CZ 3.64Å; F480-F493 HydrophobicContact CE1-CZ 3.64Å; F480-F493 HydrophobicContact CG-CE2 4.33Å; F480-F493 HydrophobicContact CZ-CE2 4.16Å; F480-F493 HydrophobicContact CZ-CZ 4.19Å; F480-F493 VanDerWaalsContact O-CD2 3.24Å; F480-F493 WeakPolarHBondContact O-CD2 3.28Å; F480-F493 VanDerWaalsContact O-CE2 3.23Å; F480-F493 WeakPolarHBondContact O-CE2 3.31Å; F480-L502 HydrophobicContact CD1-CD1 4.35Å; F480-L502 HydrophobicContact CD1-CD2 4.49Å; F480-L502 HydrophobicContact CE1-CD1 4.27Å; F480-M508 HydrophobicContact CB-SD 4.05Å; F480-M508 HydrophobicContact CG-SD 4.38Å; F480-I515 HydrophobicContact CD2-CD1 4.33Å; F480-I515 HydrophobicContact CE2-CD1 3.65Å; F480-I515 HydrophobicContact CE2-CG2 4.23Å; F480-L517 HydrophobicContact CD1-CD2 3.42Å; F480-L517 VanDerWaalsContact CD1-CD2 3.42Å; F480-L517 HydrophobicContact CE1-CD2 3.42Å; F480-L517 VanDerWaalsContact CE1-CD2 3.42Å; F480-L517 HydrophobicContact CG-CD2 4.15Å; F480-L517 HydrophobicContact CZ-CD2 4.14Å; F480-Y532 AromaticContact CE1-CD2 3.71Å; F480-Y532 HydrophobicContact CE1-CD2 3.71Å; F480-Y532 AromaticContact CE1-CE2 3.71Å; F480-Y532 HydrophobicContact CE1-CE2 3.71Å; F480-Y532 HydrophobicContact CE1-CG 4.18Å; F480-Y532 HydrophobicContact CZ-CD1 4.23Å; F480-Y532 AromaticContact CZ-CD2 3.64Å; F480-Y532 HydrophobicContact CZ-CD2 3.64Å; F480-Y532 HydrophobicContact CZ-CE2 4.12Å; F480-Y532 AromaticContact CZ-CG 3.72Å; F480-Y532 HydrophobicContact CZ-CG 3.72Å; F480-L538 HydrophobicContact CD2-CD1 4.41Å; F480-L538 HydrophobicContact CE2-CD1 3.96Å; F480-L538 HydrophobicContact CE2-CD2 3.73Å; F480-L538 HydrophobicContact CZ-CD1 4.42Å; F480-L538 HydrophobicContact CZ-CD2 3.72Å | ||
| 481 | I | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 168.5 | 173.6 | 65.2 | 172.6 | 0 | 0 | 0 | 108.9 | V449 P450 Y453 A473 V474 W490 H491 V492 | V449-I481 HydrophobicContact CG1-CD1 3.98Å; P450-I481 HydrophobicContact CG-CD1 4.13Å; Y453-I481 HydrophobicContact CD1-CD1 3.78Å; Y453-I481 HydrophobicContact CD1-CG1 4.18Å; Y453-I481 HydrophobicContact CD1-CG2 4.14Å; Y453-I481 HydrophobicContact CD2-CG2 3.53Å; Y453-I481 HydrophobicContact CE1-CD1 4.33Å; Y453-I481 HydrophobicContact CE1-CG1 4.26Å; Y453-I481 HydrophobicContact CE1-CG2 4.32Å; Y453-I481 HydrophobicContact CE2-CG2 3.77Å; Y453-I481 HydrophobicContact CG-CD1 4.1Å; Y453-I481 HydrophobicContact CG-CG2 3.74Å; A473-I481 CarbonylContact C-O 3.59Å; A473-I481 WeakPolarHBondContact CA-O 3.49Å; V474-I481 HydrophobicContact CB-CG1 3.99Å; V474-I481 PolarHBondContact N-O 2.96Å; V474-I481 PolarHBondContact O-N 3.45Å; I481-W490 HydrophobicContact CB-CE3 4.49Å; I481-W490 HydrophobicContact CD1-CD2 4.14Å; I481-W490 HydrophobicContact CD1-CE3 3.4Å; I481-W490 HydrophobicContact CD1-CH2 4.39Å; I481-W490 HydrophobicContact CD1-CZ3 3.55Å; I481-W490 HydrophobicContact CG1-CE3 3.82Å; I481-W490 HydrophobicContact CG1-CZ3 3.79Å; I481-H491 WeakPolarHBondContact CA-O 3.47Å; I481-H491 WeakPolarHBondContact CB-O 3.38Å; I481-V492 HydrophobicContact CB-CG1 4.39Å; I481-V492 HydrophobicContact CG2-CB 4.19Å; I481-V492 HydrophobicContact CG2-CG1 3.85Å |
| 482 | H | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.4 | 168.2 | 73.7 | -96.1 | 0 | 0 | 0 | 113.7 | I472 A473 W490 H491 I515 S534 | I472-H482 CarbonylContact O-C 3.53Å; I472-H482 WeakPolarHBondContact O-CA 3.33Å; I472-H482 WeakPolarHBondContact O-CB 3.47Å; A473-H482 HydrophobicContact CB-CB 4.28Å; H482-W490 CarbonylContact O-C 3.59Å; H482-W490 WeakPolarHBondContact O-CA 3.38Å; H482-H491 VanDerWaalsContact CE1-CB 3.44Å; H482-H491 WeakPolarHBondContact CE1-CB 3.4Å; H482-H491 AromaticContact CE1-CG 3.82Å; H482-H491 PolarHBondContact N-O 2.94Å; H482-H491 AromaticContact NE2-CD2 3.93Å; H482-H491 AromaticContact NE2-CG 3.55Å; H482-H491 AromaticContact NE2-ND1 3.91Å; H482-H491 PolarHBondContact O-N 3.39Å; H482-I515 HydrophobicContact CB-CD1 3.9Å; H482-S534 PolarHBondContact CE1-O 3.31Å; H482-S534 PolarHBondContact NE2-O 3.37Å |
| 483 | Y | 94.9 | Very high | 91.8 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 9% | 0.09 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 144.5 | 173.3 | -176.9 | -108.2 | 0 | 0 | 0 | 110 | L447 K471 I472 T485 Q488 R489 W490 | L447-Y483 HydrophobicContact CD1-CD1 3.91Å; L447-Y483 HydrophobicContact CD1-CE1 4.01Å; L447-Y483 HydrophobicContact CD2-CD1 4.39Å; L447-Y483 HydrophobicContact CD2-CE1 3.74Å; K471-Y483 WeakPolarHBondContact CA-O 3.36Å; I472-Y483 HydrophobicContact CD1-CD1 4.3Å; I472-Y483 PolarHBondContact N-O 3.31Å; I472-Y483 PolarHBondContact O-N 3.05Å; Y483-T485 HydrophobicContact CD1-CG2 4.15Å; Y483-T485 HydrophobicContact CE1-CG2 3.94Å; Y483-Q488 WeakPolarHBondContact OH-CA 3.5Å; Y483-R489 WeakPolarHBondContact CA-O 3.38Å; Y483-R489 WeakPolarHBondContact CD2-O 3.48Å; Y483-W490 AromaticContact CD2-CD1 3.97Å; Y483-W490 AromaticContact CD2-CD2 3.91Å; Y483-W490 HydrophobicContact CD2-CD2 3.91Å; Y483-W490 AromaticContact CD2-CE2 3.82Å; Y483-W490 HydrophobicContact CD2-CG 4.03Å; Y483-W490 HydrophobicContact CD2-CZ2 4.37Å; Y483-W490 AromaticContact CD2-NE1 3.87Å; Y483-W490 HydrophobicContact CG-CD2 4.36Å; Y483-W490 HydrophobicContact CG-CZ2 4.44Å |
| 484 | N | 92.1 | Very high | 91.2 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.6 | 173.9 | 170.3 | -23.7 | 0 | 0 | 0 | 108.6 | D486 S487 Q488 R489 | N484-D486 PolarHBondContact O-N 3.41Å; N484-D486 PolarHBondContact OD1-N 3.33Å; N484-D486 VanDerWaalsContact OD1-N 3.08Å; N484-S487 WeakPolarHBondContact CB-OG 3.46Å; N484-S487 PolarHBondContact O-N 2.93Å; N484-S487 PolarHBondContact O-OG 3.03Å; N484-S487 PolarHBondContact OD1-N 2.98Å; N484-S487 VanDerWaalsContact OD1-N 3.16Å; N484-Q488 WeakPolarHBondContact O-CA 3.39Å; N484-Q488 PolarHBondContact O-N 3.3Å; N484-R489 PolarHBondContact N-O 2.78Å; N484-R489 PolarHBondContact O-N 3.12Å |
| 485 | T | 88.1 | Confident | 90.8 | Very high | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -36.4 | -173.9 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | K470 I472 Y483 S487 Q488 | K470-T485 VanDerWaalsContact CA-OG1 3.31Å; K470-T485 WeakPolarHBondContact CA-OG1 3.33Å; K470-T485 WeakPolarHBondContact O-CG2 3.25Å; K470-T485 PolarHBondContact O-N 3.16Å; K470-T485 PolarHBondContact O-OG1 2.74Å; K470-T485 VanDerWaalsContact O-OG1 3.13Å; I472-T485 HydrophobicContact CD1-CG2 4.48Å; Y483-T485 HydrophobicContact CD1-CG2 4.15Å; Y483-T485 HydrophobicContact CE1-CG2 3.94Å; T485-S487 PolarHBondContact O-N 3.46Å; T485-Q488 WeakPolarHBondContact O-CG 3.22Å; T485-Q488 PolarHBondContact O-N 2.81Å |
| 486 | D | 87.8 | Confident | 90.4 | Very high | 113 Ų | 113 | 55 Ų | 55 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31 | 179.5 | -70.3 | -12.1 | 0 | 0 | 0 | 111.3 | K470 N484 | K470-D486 IonicContact NZ-OD1 3.7Å; K470-D486 PolarHBondContact NZ-OD1 3.26Å; K470-D486 IonicContact NZ-OD2 3.98Å; K470-D486 PolarHBondContact NZ-OD2 3.15Å; N484-D486 PolarHBondContact O-N 3.41Å; N484-D486 PolarHBondContact OD1-N 3.33Å; N484-D486 VanDerWaalsContact OD1-N 3.08Å |
| 487 | S | 89.6 | Confident | 90.2 | Very high | 47 Ų | 47 | 63.4 Ų | 63.4 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -16 | 178 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | N484 T485 R489 | N484-S487 WeakPolarHBondContact CB-OG 3.46Å; N484-S487 PolarHBondContact O-N 2.93Å; N484-S487 PolarHBondContact O-OG 3.03Å; N484-S487 PolarHBondContact OD1-N 2.98Å; N484-S487 VanDerWaalsContact OD1-N 3.16Å; T485-S487 PolarHBondContact O-N 3.46Å; S487-R489 VanDerWaalsContact C-N 3.28Å; S487-R489 WeakPolarHBondContact O-CG 3.38Å; S487-R489 PolarHBondContact O-N 3.08Å; S487-R489 PolarHBondContact OG-N 3Å |
| 488 | Q | 90 | Very high | 90.3 | Very high | 153 Ų | 153 | 60.2 Ų | 60.2 | 72% | 0.715 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41.5 | -168.4 | -60 | -171 | -23.7 | 0 | 0 | 114.2 | Y483 N484 T485 | Y483-Q488 WeakPolarHBondContact OH-CA 3.5Å; N484-Q488 WeakPolarHBondContact O-CA 3.39Å; N484-Q488 PolarHBondContact O-N 3.3Å; T485-Q488 WeakPolarHBondContact O-CG 3.22Å; T485-Q488 PolarHBondContact O-N 2.81Å |
| 489 | R | 90.9 | Very high | 90.3 | Very high | 177 Ų | 177 | 59.2 Ų | 59.2 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.9 | -176.8 | -71.5 | 172.3 | -172.6 | -161.5 | -0.9 | 113.1 | Y483 N484 S487 | Y483-R489 WeakPolarHBondContact CA-O 3.38Å; Y483-R489 WeakPolarHBondContact CD2-O 3.48Å; N484-R489 PolarHBondContact N-O 2.78Å; N484-R489 PolarHBondContact O-N 3.12Å; S487-R489 VanDerWaalsContact C-N 3.28Å; S487-R489 WeakPolarHBondContact O-CG 3.38Å; S487-R489 PolarHBondContact O-N 3.08Å; S487-R489 PolarHBondContact OG-N 3Å |
| 490 | W | 92.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.6 | 167.4 | -69.9 | 101.4 | 0 | 0 | 0 | 110.6 | I430 L448 V449 P450 V474 I481 H482 Y483 | I430-W490 HydrophobicContact CD1-CH2 4.47Å; L448-W490 WeakPolarHBondContact O-CZ2 3.35Å; L448-W490 PolarHBondContact O-NE1 3.34Å; L448-W490 VanDerWaalsContact O-NE1 3.16Å; V449-W490 HydrophobicContact CG2-CH2 4.43Å; P450-W490 HydrophobicContact CG-CB 3.81Å; P450-W490 HydrophobicContact CG-CD2 3.87Å; P450-W490 HydrophobicContact CG-CG 3.48Å; P450-W490 VanDerWaalsContact CG-CG 3.48Å; V474-W490 HydrophobicContact CB-CZ3 4.36Å; V474-W490 HydrophobicContact CG2-CH2 3.81Å; V474-W490 HydrophobicContact CG2-CZ3 3.68Å; I481-W490 HydrophobicContact CB-CE3 4.49Å; I481-W490 HydrophobicContact CD1-CD2 4.14Å; I481-W490 HydrophobicContact CD1-CE3 3.4Å; I481-W490 HydrophobicContact CD1-CH2 4.39Å; I481-W490 HydrophobicContact CD1-CZ3 3.55Å; I481-W490 HydrophobicContact CG1-CE3 3.82Å; I481-W490 HydrophobicContact CG1-CZ3 3.79Å; H482-W490 CarbonylContact O-C 3.59Å; H482-W490 WeakPolarHBondContact O-CA 3.38Å; Y483-W490 AromaticContact CD2-CD1 3.97Å; Y483-W490 AromaticContact CD2-CD2 3.91Å; Y483-W490 HydrophobicContact CD2-CD2 3.91Å; Y483-W490 AromaticContact CD2-CE2 3.82Å; Y483-W490 HydrophobicContact CD2-CG 4.03Å; Y483-W490 HydrophobicContact CD2-CZ2 4.37Å; Y483-W490 AromaticContact CD2-NE1 3.87Å; Y483-W490 HydrophobicContact CG-CD2 4.36Å; Y483-W490 HydrophobicContact CG-CZ2 4.44Å |
| 491 | H | 92.7 | Very high | 89.9 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.1 | 170.6 | -71.1 | -122.3 | 0 | 0 | 0 | 107.8 | I481 H482 L538 | I481-H491 WeakPolarHBondContact CA-O 3.47Å; I481-H491 WeakPolarHBondContact CB-O 3.38Å; H482-H491 VanDerWaalsContact CE1-CB 3.44Å; H482-H491 WeakPolarHBondContact CE1-CB 3.4Å; H482-H491 AromaticContact CE1-CG 3.82Å; H482-H491 PolarHBondContact N-O 2.94Å; H482-H491 AromaticContact NE2-CD2 3.93Å; H482-H491 AromaticContact NE2-CG 3.55Å; H482-H491 AromaticContact NE2-ND1 3.91Å; H482-H491 PolarHBondContact O-N 3.39Å; H491-L538 WeakPolarHBondContact O-CD1 3.48Å |
| 492 | V | 91.6 | Very high | 89.6 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -116.9 | 166.1 | -178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | I481 | I481-V492 HydrophobicContact CB-CG1 4.39Å; I481-V492 HydrophobicContact CG2-CB 4.19Å; I481-V492 HydrophobicContact CG2-CG1 3.85Å | ||
| 493 | F | 89.6 | Confident | 89.4 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 139.9 | 175.8 | -87.9 | -95.6 | 0 | 0 | 0 | 111.7 | F480 N495 Q498 E499 L502 Y532 L538 | F480-F493 AromaticContact CD1-CE2 3.77Å; F480-F493 HydrophobicContact CD1-CE2 3.77Å; F480-F493 HydrophobicContact CD1-CZ 4.13Å; F480-F493 AromaticContact CE1-CE2 3.67Å; F480-F493 HydrophobicContact CE1-CE2 3.67Å; F480-F493 AromaticContact CE1-CZ 3.64Å; F480-F493 HydrophobicContact CE1-CZ 3.64Å; F480-F493 HydrophobicContact CG-CE2 4.33Å; F480-F493 HydrophobicContact CZ-CE2 4.16Å; F480-F493 HydrophobicContact CZ-CZ 4.19Å; F480-F493 VanDerWaalsContact O-CD2 3.24Å; F480-F493 WeakPolarHBondContact O-CD2 3.28Å; F480-F493 VanDerWaalsContact O-CE2 3.23Å; F480-F493 WeakPolarHBondContact O-CE2 3.31Å; F493-N495 PolarHBondContact O-N 3Å; F493-Q498 HydrophobicContact CD1-CB 4.19Å; F493-Q498 HydrophobicContact CE1-CB 4.44Å; F493-E499 HydrophobicContact CB-CB 4Å; F493-E499 HydrophobicContact CB-CG 4.35Å; F493-E499 HydrophobicContact CD2-CB 4.32Å; F493-E499 HydrophobicContact CD2-CG 4.17Å; F493-E499 HydrophobicContact CG-CB 4.14Å; F493-E499 HydrophobicContact CG-CG 4.44Å; F493-L502 HydrophobicContact CZ-CD1 4.06Å; F493-Y532 HydrophobicContact CE1-CE1 4.06Å; F493-Y532 AromaticContact CZ-CE1 3.98Å; F493-Y532 HydrophobicContact CZ-CE1 3.98Å; F493-L538 WeakPolarHBondContact CA-O 3.41Å; F493-L538 HydrophobicContact CD1-CB 4.04Å; F493-L538 WeakPolarHBondContact CD1-O 3.46Å; F493-L538 HydrophobicContact CD2-CB 3.96Å; F493-L538 HydrophobicContact CD2-CD1 4.13Å; F493-L538 HydrophobicContact CE1-CB 4.18Å; F493-L538 HydrophobicContact CE2-CB 4.09Å; F493-L538 HydrophobicContact CE2-CD1 4.15Å; F493-L538 HydrophobicContact CG-CB 3.93Å; F493-L538 HydrophobicContact CZ-CB 4.2Å |
| 494 | G | 82.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -73.9 | -12.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L538 | G494-L538 PolarHBondContact N-O 3.25Å; G494-L538 VanDerWaalsContact N-O 3.08Å |
| 495 | N | 87.5 | Confident | 89 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | trans | -141.7 | 101.7 | -171.5 | -177.5 | -4.4 | 0 | 0 | 0 | 110.6 | F493 K497 Q498 E499 | F493-N495 PolarHBondContact O-N 3Å; N495-K497 PolarHBondContact O-N 3.1Å; N495-K497 VanDerWaalsContact O-N 3.08Å; N495-K497 WeakPolarHBondContact OD1-CB 3.27Å; N495-K497 PolarHBondContact OD1-N 3.16Å; N495-K497 VanDerWaalsContact OD1-N 3.17Å; N495-Q498 HydrophobicContact CB-CB 4.42Å; N495-Q498 HydrophobicContact CB-CG 4.15Å; N495-Q498 WeakPolarHBondContact O-CB 3.33Å; N495-Q498 PolarHBondContact O-N 2.81Å; N495-E499 PolarHBondContact O-N 3.01Å | ||
| 496 | I | 85.4 | Confident | 88.9 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.6 | -27.7 | -178 | -57.1 | 168.7 | 0 | 0 | 0 | 111.9 | E499 N500 | I496-E499 WeakPolarHBondContact O-CB 3.33Å; I496-E499 PolarHBondContact O-N 3.33Å; I496-N500 WeakPolarHBondContact O-CB 3.44Å; I496-N500 PolarHBondContact O-N 2.99Å; I496-N500 PolarHBondContact O-OD1 2.9Å |
| 497 | K | 88.4 | Confident | 89.1 | Confident | 175 Ų | 175 | 56.8 Ų | 56.8 | 76% | 0.761 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.6 | -32 | 175.8 | -63.6 | -169.1 | 176.4 | -170.4 | 0 | 113.2 | N495 S501 | N495-K497 PolarHBondContact O-N 3.1Å; N495-K497 VanDerWaalsContact O-N 3.08Å; N495-K497 WeakPolarHBondContact OD1-CB 3.27Å; N495-K497 PolarHBondContact OD1-N 3.16Å; N495-K497 VanDerWaalsContact OD1-N 3.17Å; K497-S501 WeakPolarHBondContact O-CB 3.11Å; K497-S501 PolarHBondContact O-N 2.79Å; K497-S501 PolarHBondContact O-OG 2.98Å |
| 498 | Q | 88.2 | Confident | 89.4 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.1 | -45.5 | 172.5 | -69.2 | 176 | -2.2 | 0 | 0 | 110 | F493 N495 S501 L502 D539 N540 | F493-Q498 HydrophobicContact CD1-CB 4.19Å; F493-Q498 HydrophobicContact CE1-CB 4.44Å; N495-Q498 HydrophobicContact CB-CB 4.42Å; N495-Q498 HydrophobicContact CB-CG 4.15Å; N495-Q498 WeakPolarHBondContact O-CB 3.33Å; N495-Q498 PolarHBondContact O-N 2.81Å; Q498-S501 PolarHBondContact O-N 3.17Å; Q498-S501 PolarHBondContact O-OG 2.75Å; Q498-L502 PolarHBondContact O-N 2.89Å; Q498-D539 PolarHBondContact NE2-OD1 3.17Å; Q498-D539 VanDerWaalsContact OE1-CA 3.31Å; Q498-D539 PolarHBondContact OE1-OD1 3.08Å; Q498-N540 VanDerWaalsContact OE1-N 3.07Å |
| 499 | E | 89.1 | Confident | 89.5 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.9 | -56 | 177.6 | -166 | -177.8 | 123.2 | 0 | 0 | 111.5 | Y453 N457 G479 F493 N495 I496 S501 L502 | Y453-E499 VanDerWaalsContact CD2-OE1 3.24Å; Y453-E499 WeakPolarHBondContact CD2-OE1 3.37Å; Y453-E499 HydrophobicContact CE2-CG 4.31Å; Y453-E499 WeakPolarHBondContact CE2-OE1 3.24Å; N457-E499 PolarHBondContact ND2-OE1 2.83Å; G479-E499 WeakPolarHBondContact CA-O 3.46Å; G479-E499 PolarHBondContact N-O 2.83Å; F493-E499 HydrophobicContact CB-CB 4Å; F493-E499 HydrophobicContact CB-CG 4.35Å; F493-E499 HydrophobicContact CD2-CB 4.32Å; F493-E499 HydrophobicContact CD2-CG 4.17Å; F493-E499 HydrophobicContact CG-CB 4.14Å; F493-E499 HydrophobicContact CG-CG 4.44Å; N495-E499 PolarHBondContact O-N 3.01Å; I496-E499 WeakPolarHBondContact O-CB 3.33Å; I496-E499 PolarHBondContact O-N 3.33Å; E499-S501 PolarHBondContact O-N 2.86Å; E499-L502 PolarHBondContact O-N 3.36Å |
| 500 | N | 88 | Confident | 89.6 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 37% | 0.369 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -29.3 | 179.9 | -68.7 | 15 | 0 | 0 | 0 | 113.1 | N478 I496 L502 | N478-N500 PolarHBondContact ND2-O 3.25Å; I496-N500 WeakPolarHBondContact O-CB 3.44Å; I496-N500 PolarHBondContact O-N 2.99Å; I496-N500 PolarHBondContact O-OD1 2.9Å; N500-L502 VanDerWaalsContact C-N 3.33Å |
| 501 | S | 88.8 | Confident | 89.5 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 12% | 0.119 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7 | -179.3 | 72.7 | 0 | 0 | 0 | 0 | 115 | K497 Q498 E499 | K497-S501 WeakPolarHBondContact O-CB 3.11Å; K497-S501 PolarHBondContact O-N 2.79Å; K497-S501 PolarHBondContact O-OG 2.98Å; Q498-S501 PolarHBondContact O-N 3.17Å; Q498-S501 PolarHBondContact O-OG 2.75Å; E499-S501 PolarHBondContact O-N 2.86Å |
| 502 | L | 88.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 99.1 | -176.2 | -171.3 | 170.5 | 0 | 0 | 0 | 108.5 | G479 F480 F493 Q498 E499 N500 V504 L517 C519 Y532 | G479-L502 PolarHBondContact N-O 2.97Å; F480-L502 HydrophobicContact CD1-CD1 4.35Å; F480-L502 HydrophobicContact CD1-CD2 4.49Å; F480-L502 HydrophobicContact CE1-CD1 4.27Å; F493-L502 HydrophobicContact CZ-CD1 4.06Å; Q498-L502 PolarHBondContact O-N 2.89Å; E499-L502 PolarHBondContact O-N 3.36Å; N500-L502 VanDerWaalsContact C-N 3.33Å; L502-V504 HydrophobicContact CD2-CG2 3.59Å; L502-L517 HydrophobicContact CD2-CD1 4.26Å; L502-C519 HydrophobicContact CD2-CB 3.71Å; L502-C519 HydrophobicContact CG-CB 4Å; L502-Y532 HydrophobicContact CD1-CE2 4.2Å; L502-Y532 VanDerWaalsContact CD1-OH 3.27Å; L502-Y532 WeakPolarHBondContact CD1-OH 3.41Å |
| 503 | H | 89.6 | Confident | 89.1 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.5 | 173.7 | -179.9 | -57 | 0 | 0 | 0 | 109.8 | R461 R477 F505 C519 F520 | R461-H503 PolarHBondContact NH1-CE1 3.04Å; R461-H503 PolarHBondContact NH1-NE2 2.81Å; R477-H503 PolarHBondContact O-CD2 3.14Å; H503-F505 AromaticContact CE1-CD1 3.87Å; H503-F505 AromaticContact CE1-CD2 3.64Å; H503-F505 AromaticContact CE1-CE1 3.49Å; H503-F505 VanDerWaalsContact CE1-CE1 3.49Å; H503-F505 WeakPolarHBondContact CE1-CE1 3.18Å; H503-F505 AromaticContact CE1-CE2 3.25Å; H503-F505 WeakPolarHBondContact CE1-CE2 3.34Å; H503-F505 AromaticContact CE1-CG 3.94Å; H503-F505 AromaticContact CE1-CZ 3.17Å; H503-F505 WeakPolarHBondContact CE1-CZ 3.42Å; H503-F505 AromaticContact CG-CE2 3.8Å; H503-F505 AromaticContact ND1-CD2 3.21Å; H503-F505 WeakPolarHBondContact ND1-CD2 3.49Å; H503-F505 AromaticContact ND1-CE2 3.06Å; H503-F505 WeakPolarHBondContact ND1-CE2 3.36Å; H503-F505 AromaticContact ND1-CG 3.82Å; H503-F505 AromaticContact ND1-CZ 3.54Å; H503-F505 AromaticContact NE2-CZ 3.8Å; H503-C519 CarbonylContact O-C 3.53Å; H503-C519 WeakPolarHBondContact O-CA 3.4Å; H503-C519 WeakPolarHBondContact O-CB 3.12Å; H503-F520 PolarHBondContact N-O 3.2Å; H503-F520 PolarHBondContact O-N 3.01Å |
| 504 | V | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 134.2 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | Y462 S475 L502 M508 L517 T518 | Y462-V504 HydrophobicContact CD2-CB 4.28Å; Y462-V504 HydrophobicContact CD2-CG1 3.83Å; Y462-V504 HydrophobicContact CE2-CB 4.44Å; Y462-V504 HydrophobicContact CE2-CG1 4.07Å; S475-V504 WeakPolarHBondContact OG-CB 3.31Å; S475-V504 VanDerWaalsContact OG-CG2 3.32Å; S475-V504 WeakPolarHBondContact OG-CG2 3.48Å; L502-V504 HydrophobicContact CD2-CG2 3.59Å; V504-M508 HydrophobicContact CG1-CG 3.85Å; V504-M508 HydrophobicContact CG1-SD 4.47Å; V504-L517 HydrophobicContact CG2-CD2 4.36Å; V504-T518 WeakPolarHBondContact CA-O 3.19Å |
| 505 | F | 88.7 | Confident | 89.8 | Confident | 29 Ų | 29 | 34.8 Ų | 34.8 | 13% | 0.127 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.3 | 172.1 | -80.5 | -76.4 | 0 | 0 | 0 | 109.2 | H503 G507 T518 F520 L553 P554 | H503-F505 AromaticContact CE1-CD1 3.87Å; H503-F505 AromaticContact CE1-CD2 3.64Å; H503-F505 AromaticContact CE1-CE1 3.49Å; H503-F505 VanDerWaalsContact CE1-CE1 3.49Å; H503-F505 WeakPolarHBondContact CE1-CE1 3.18Å; H503-F505 AromaticContact CE1-CE2 3.25Å; H503-F505 WeakPolarHBondContact CE1-CE2 3.34Å; H503-F505 AromaticContact CE1-CG 3.94Å; H503-F505 AromaticContact CE1-CZ 3.17Å; H503-F505 WeakPolarHBondContact CE1-CZ 3.42Å; H503-F505 AromaticContact CG-CE2 3.8Å; H503-F505 AromaticContact ND1-CD2 3.21Å; H503-F505 WeakPolarHBondContact ND1-CD2 3.49Å; H503-F505 AromaticContact ND1-CE2 3.06Å; H503-F505 WeakPolarHBondContact ND1-CE2 3.36Å; H503-F505 AromaticContact ND1-CG 3.82Å; H503-F505 AromaticContact ND1-CZ 3.54Å; H503-F505 AromaticContact NE2-CZ 3.8Å; F505-G507 PolarHBondContact O-N 3.37Å; F505-T518 PolarHBondContact N-O 3.38Å; F505-T518 PolarHBondContact O-OG1 3.37Å; F505-F520 HydrophobicContact CD2-CB 3.61Å; F505-F520 HydrophobicContact CE2-CB 3.69Å; F505-F520 HydrophobicContact CE2-CG 4.37Å; F505-L553 HydrophobicContact CD1-CD1 4.31Å; F505-L553 HydrophobicContact CD2-CD1 4.41Å; F505-L553 HydrophobicContact CE1-CD1 4.33Å; F505-L553 HydrophobicContact CE2-CD1 4.41Å; F505-L553 HydrophobicContact CG-CD1 4.35Å; F505-L553 HydrophobicContact CZ-CD1 4.37Å; F505-P554 HydrophobicContact CB-CG 3.7Å |
| 506 | G | 86.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.6 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P554 I556 V557 | G506-P554 PolarHBondContact N-O 2.95Å; G506-I556 WeakPolarHBondContact O-CA 3.29Å; G506-V557 PolarHBondContact O-N 3.02Å |
| 507 | G | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.6 | -162.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | N413 F505 | N413-G507 VanDerWaalsContact OD1-CA 3.31Å; N413-G507 WeakPolarHBondContact OD1-CA 3.17Å; F505-G507 PolarHBondContact O-N 3.37Å |
| 508 | M | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 139.2 | 178.2 | -55.6 | -172.4 | -61.4 | 0 | 0 | 110.3 | N413 T415 Y462 A464 A473 F480 V504 C516 L517 | N413-M508 PolarHBondContact ND2-O 3.47Å; N413-M508 PolarHBondContact OD1-N 3.27Å; N413-M508 PolarHBondContact OD1-O 3.01Å; T415-M508 WeakPolarHBondContact CG2-O 3.26Å; Y462-M508 WeakPolarHBondContact O-CE 2.91Å; A464-M508 HydrophobicContact CB-CB 3.96Å; A464-M508 HydrophobicContact CB-CE 4.46Å; A464-M508 VanDerWaalsContact CB-O 3.24Å; A464-M508 WeakPolarHBondContact CB-O 3.31Å; A473-M508 HydrophobicContact CB-CE 4.02Å; F480-M508 HydrophobicContact CB-SD 4.05Å; F480-M508 HydrophobicContact CG-SD 4.38Å; V504-M508 HydrophobicContact CG1-CG 3.85Å; V504-M508 HydrophobicContact CG1-SD 4.47Å; M508-C516 CarbonylContact C-O 3.58Å; M508-C516 WeakPolarHBondContact CA-O 3.4Å; M508-L517 HydrophobicContact CB-CB 4.36Å; M508-L517 HydrophobicContact CG-CB 3.85Å; M508-L517 HydrophobicContact SD-CD2 4.41Å |
| 509 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T415 C516 N559 F564 | T415-A509 HydrophobicContact CG2-CB 3.86Å; A509-C516 PolarHBondContact N-O 2.83Å; A509-C516 PolarHBondContact O-N 3.28Å; A509-N559 HydrophobicContact CB-CB 4.37Å; A509-N559 VanDerWaalsContact CB-ND2 3.29Å; A509-N559 WeakPolarHBondContact CB-ND2 3.14Å; A509-F564 HydrophobicContact CB-CE2 4.48Å |
| 510 | W | 92.8 | Very high | 90.8 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 2% | 0.023 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 123 | 177.8 | -79.2 | 94.4 | 0 | 0 | 0 | 110.9 | D417 A464 S466 K471 A473 I515 N559 | D417-W510 PolarHBondContact OD2-N 3.39Å; A464-W510 PolarHBondContact O-NE1 2.89Å; S466-W510 VanDerWaalsContact N-CD1 3.28Å; K471-W510 HydrophobicContact CB-CH2 3.41Å; K471-W510 VanDerWaalsContact CB-CH2 3.41Å; K471-W510 HydrophobicContact CB-CZ2 3.59Å; K471-W510 HydrophobicContact CB-CZ3 3.93Å; K471-W510 HydrophobicContact CD-CH2 4.04Å; K471-W510 HydrophobicContact CD-CZ3 3.97Å; K471-W510 HydrophobicContact CG-CH2 4.32Å; A473-W510 HydrophobicContact CB-CZ2 3.8Å; W510-I515 HydrophobicContact CD2-CG1 4.15Å; W510-I515 HydrophobicContact CE3-CG1 3.87Å; W510-I515 HydrophobicContact CH2-CD1 3.6Å; W510-I515 HydrophobicContact CH2-CG1 3.34Å; W510-I515 HydrophobicContact CZ2-CD1 3.91Å; W510-I515 HydrophobicContact CZ2-CG1 3.65Å; W510-I515 HydrophobicContact CZ3-CD1 4.18Å; W510-I515 HydrophobicContact CZ3-CG1 3.47Å; W510-I515 VanDerWaalsContact CZ3-CG1 3.47Å; W510-N559 PolarHBondContact O-ND2 3.05Å |
| 511 | W | 90.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 3% | 0.03 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 101.2 | 169.4 | -175.8 | 69.8 | 0 | 0 | 0 | 109.1 | Q513 Y514 G561 N562 L578 E580 V588 | W511-Q513 PolarHBondContact O-N 3.23Å; W511-Q513 VanDerWaalsContact O-N 3.15Å; W511-Y514 AromaticContact CE3-CD2 3.53Å; W511-Y514 HydrophobicContact CE3-CD2 3.53Å; W511-Y514 HydrophobicContact CE3-CE2 4.16Å; W511-Y514 HydrophobicContact CE3-CG 4.26Å; W511-Y514 AromaticContact CZ3-CD2 3.78Å; W511-Y514 HydrophobicContact CZ3-CD2 3.78Å; W511-Y514 AromaticContact CZ3-CE2 3.93Å; W511-Y514 HydrophobicContact CZ3-CE2 3.93Å; W511-Y514 PolarHBondContact N-O 3.28Å; W511-Y514 WeakPolarHBondContact O-CB 3.36Å; W511-Y514 WeakPolarHBondContact O-CD2 3.43Å; W511-Y514 PolarHBondContact O-N 2.91Å; W511-G561 PolarHBondContact NE1-O 3.24Å; W511-N562 WeakPolarHBondContact CZ2-OD1 3.36Å; W511-N562 PolarHBondContact NE1-OD1 2.88Å; W511-L578 HydrophobicContact CB-CD1 3.79Å; W511-L578 HydrophobicContact CD2-CB 3.98Å; W511-L578 HydrophobicContact CD2-CD1 3.66Å; W511-L578 HydrophobicContact CE3-CB 4.16Å; W511-L578 HydrophobicContact CE3-CD1 4.1Å; W511-L578 HydrophobicContact CG-CD1 3.51Å; W511-L578 HydrophobicContact CH2-CB 3.96Å; W511-L578 HydrophobicContact CZ2-CB 3.78Å; W511-L578 WeakPolarHBondContact CZ2-O 3.3Å; W511-L578 HydrophobicContact CZ3-CB 4.16Å; W511-E580 HydrophobicContact CH2-CG 3.91Å; W511-E580 HydrophobicContact CZ3-CG 3.97Å; W511-V588 HydrophobicContact CE3-CG1 4.3Å; W511-V588 HydrophobicContact CE3-CG2 4.32Å; W511-V588 HydrophobicContact CH2-CG1 4.4Å; W511-V588 HydrophobicContact CZ3-CB 4.49Å; W511-V588 HydrophobicContact CZ3-CG1 3.74Å; W511-V588 HydrophobicContact CZ3-CG2 3.88Å |
| 512 | K | 87.6 | Confident | 89.5 | Confident | 108 Ų | 108 | 20.1 Ų | 20.1 | 47% | 0.47 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -116.6 | -173.4 | -51.9 | 162.2 | 179.3 | 166.9 | 0 | 110.2 | E580 | K512-E580 VanDerWaalsContact CD-OE1 3.3Å; K512-E580 WeakPolarHBondContact CD-OE1 3.41Å; K512-E580 WeakPolarHBondContact CE-OE1 3.49Å; K512-E580 IonicContact NZ-OE1 2.66Å; K512-E580 PolarHBondContact NZ-OE1 3.1Å |
| 513 | Q | 88.3 | Confident | 88.4 | Confident | 68 Ų | 68 | 25.6 Ų | 25.6 | 32% | 0.318 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.5 | 177.1 | 72.4 | -160.4 | 23.5 | 0 | 0 | 114 | W511 S534 D535 | W511-Q513 PolarHBondContact O-N 3.23Å; W511-Q513 VanDerWaalsContact O-N 3.15Å; Q513-S534 WeakPolarHBondContact O-CB 3.5Å; Q513-S534 PolarHBondContact O-N 3.36Å; Q513-S534 PolarHBondContact O-OG 3.07Å; Q513-D535 WeakPolarHBondContact CB-OD2 3.47Å |
| 514 | Y | 92.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.8 | -176.1 | -53.7 | -86.9 | 0 | 0 | 0 | 111.6 | W511 V531 Y532 E580 K585 V588 | W511-Y514 AromaticContact CE3-CD2 3.53Å; W511-Y514 HydrophobicContact CE3-CD2 3.53Å; W511-Y514 HydrophobicContact CE3-CE2 4.16Å; W511-Y514 HydrophobicContact CE3-CG 4.26Å; W511-Y514 AromaticContact CZ3-CD2 3.78Å; W511-Y514 HydrophobicContact CZ3-CD2 3.78Å; W511-Y514 AromaticContact CZ3-CE2 3.93Å; W511-Y514 HydrophobicContact CZ3-CE2 3.93Å; W511-Y514 PolarHBondContact N-O 3.28Å; W511-Y514 WeakPolarHBondContact O-CB 3.36Å; W511-Y514 WeakPolarHBondContact O-CD2 3.43Å; W511-Y514 PolarHBondContact O-N 2.91Å; Y514-V531 HydrophobicContact CD1-CG1 4.41Å; Y514-V531 HydrophobicContact CG-CG1 4.3Å; Y514-Y532 CarbonylContact C-O 3.44Å; Y514-Y532 VanDerWaalsContact CA-O 3.28Å; Y514-Y532 WeakPolarHBondContact CA-O 2.78Å; Y514-E580 HydrophobicContact CE2-CG 3.93Å; Y514-K585 PolarHBondContact OH-O 3.26Å; Y514-V588 HydrophobicContact CD1-CG2 3.42Å; Y514-V588 VanDerWaalsContact CD1-CG2 3.42Å; Y514-V588 HydrophobicContact CD2-CG2 3.85Å; Y514-V588 HydrophobicContact CE1-CG2 3.46Å; Y514-V588 VanDerWaalsContact CE1-CG2 3.46Å; Y514-V588 HydrophobicContact CE2-CG2 3.88Å; Y514-V588 HydrophobicContact CG-CG2 3.63Å |
| 515 | I | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.1 | 172.5 | -59.2 | 165.6 | 0 | 0 | 0 | 106.8 | A473 F480 H482 W510 V531 Y532 | A473-I515 HydrophobicContact CB-CD1 3.91Å; A473-I515 HydrophobicContact CB-CG1 4.2Å; A473-I515 HydrophobicContact CB-CG2 4.14Å; F480-I515 HydrophobicContact CD2-CD1 4.33Å; F480-I515 HydrophobicContact CE2-CD1 3.65Å; F480-I515 HydrophobicContact CE2-CG2 4.23Å; H482-I515 HydrophobicContact CB-CD1 3.9Å; W510-I515 HydrophobicContact CD2-CG1 4.15Å; W510-I515 HydrophobicContact CE3-CG1 3.87Å; W510-I515 HydrophobicContact CH2-CD1 3.6Å; W510-I515 HydrophobicContact CH2-CG1 3.34Å; W510-I515 HydrophobicContact CZ2-CD1 3.91Å; W510-I515 HydrophobicContact CZ2-CG1 3.65Å; W510-I515 HydrophobicContact CZ3-CD1 4.18Å; W510-I515 HydrophobicContact CZ3-CG1 3.47Å; W510-I515 VanDerWaalsContact CZ3-CG1 3.47Å; I515-V531 WeakPolarHBondContact O-CA 3.46Å; I515-Y532 PolarHBondContact N-O 3.21Å; I515-Y532 PolarHBondContact O-N 2.85Å |
| 516 | C | 94.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.3 | 174.8 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | M508 A509 V531 F564 | M508-C516 CarbonylContact C-O 3.58Å; M508-C516 WeakPolarHBondContact CA-O 3.4Å; A509-C516 PolarHBondContact N-O 2.83Å; A509-C516 PolarHBondContact O-N 3.28Å; C516-V531 HydrophobicContact CB-CG2 4.22Å; C516-F564 HydrophobicContact CB-CD2 3.52Å; C516-F564 HydrophobicContact CB-CE2 3.44Å; C516-F564 VanDerWaalsContact CB-CE2 3.44Å; C516-F564 HydrophobicContact CB-CG 4.42Å; C516-F564 HydrophobicContact CB-CZ 4.28Å |
| 517 | L | 94.9 | Very high | 86 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 162.2 | -179.8 | 65.8 | 82.8 | 0 | 0 | 0 | 111.2 | F480 L502 V504 M508 C519 R530 Y532 | F480-L517 HydrophobicContact CD1-CD2 3.42Å; F480-L517 VanDerWaalsContact CD1-CD2 3.42Å; F480-L517 HydrophobicContact CE1-CD2 3.42Å; F480-L517 VanDerWaalsContact CE1-CD2 3.42Å; F480-L517 HydrophobicContact CG-CD2 4.15Å; F480-L517 HydrophobicContact CZ-CD2 4.14Å; L502-L517 HydrophobicContact CD2-CD1 4.26Å; V504-L517 HydrophobicContact CG2-CD2 4.36Å; M508-L517 HydrophobicContact CB-CB 4.36Å; M508-L517 HydrophobicContact CG-CB 3.85Å; M508-L517 HydrophobicContact SD-CD2 4.41Å; L517-C519 HydrophobicContact CD1-CB 3.76Å; L517-R530 HydrophobicContact CD1-CB 4.09Å; L517-R530 HydrophobicContact CG-CB 4.5Å; L517-R530 PolarHBondContact N-O 3.16Å; L517-R530 PolarHBondContact O-N 2.94Å; L517-Y532 HydrophobicContact CD2-CD2 4.42Å; L517-Y532 HydrophobicContact CD2-CE2 4.37Å |
| 518 | T | 93.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.9 | 164 | 41.2 | 0 | 0 | 0 | 0 | 110.3 | V504 F505 E528 V529 L548 P554 V557 F564 V566 | V504-T518 WeakPolarHBondContact CA-O 3.19Å; F505-T518 PolarHBondContact N-O 3.38Å; F505-T518 PolarHBondContact O-OG1 3.37Å; T518-E528 CarbonylContact C-O 3.49Å; T518-E528 WeakPolarHBondContact CA-O 3.33Å; T518-V529 HydrophobicContact CG2-CG2 3.92Å; T518-L548 HydrophobicContact CG2-CD1 4.13Å; T518-P554 HydrophobicContact CG2-CB 4.09Å; T518-P554 HydrophobicContact CG2-CG 4.45Å; T518-P554 WeakPolarHBondContact OG1-CB 3.45Å; T518-V557 HydrophobicContact CG2-CG1 4.19Å; T518-V557 WeakPolarHBondContact OG1-CG1 3.41Å; T518-F564 HydrophobicContact CG2-CE1 3.95Å; T518-F564 HydrophobicContact CG2-CZ 4.16Å; T518-V566 HydrophobicContact CG2-CG1 4.05Å; T518-V566 HydrophobicContact CG2-CG2 3.76Å |
| 519 | C | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 153.7 | -179.7 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | L502 H503 L517 S527 E528 | L502-C519 HydrophobicContact CD2-CB 3.71Å; L502-C519 HydrophobicContact CG-CB 4Å; H503-C519 CarbonylContact O-C 3.53Å; H503-C519 WeakPolarHBondContact O-CA 3.4Å; H503-C519 WeakPolarHBondContact O-CB 3.12Å; L517-C519 HydrophobicContact CD1-CB 3.76Å; C519-S527 CarbonylContact O-C 3.52Å; C519-S527 WeakPolarHBondContact O-CA 3.47Å; C519-E528 PolarHBondContact N-O 2.76Å; C519-E528 PolarHBondContact O-N 2.85Å |
| 520 | F | 86.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.3 | 164.2 | -177.8 | -99.4 | 0 | 0 | 0 | 108.6 | H503 F505 G525 L553 | H503-F520 PolarHBondContact N-O 3.2Å; H503-F520 PolarHBondContact O-N 3.01Å; F505-F520 HydrophobicContact CD2-CB 3.61Å; F505-F520 HydrophobicContact CE2-CB 3.69Å; F505-F520 HydrophobicContact CE2-CG 4.37Å; F520-G525 VanDerWaalsContact CE2-C 3.49Å; F520-G525 WeakPolarHBondContact CE2-O 3.35Å; F520-L553 HydrophobicContact CD2-CD2 4.09Å |
| 521 | T | 79.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.9 | 178.6 | -55 | 0 | 0 | 0 | 0 | 110.1 | N523 Y524 G525 T526 E528 R530 | T521-N523 HydrophobicContact CG2-CB 4.02Å; T521-N523 PolarHBondContact O-N 2.86Å; T521-N523 VanDerWaalsContact O-N 3.09Å; T521-Y524 HydrophobicContact CG2-CD2 3.8Å; T521-Y524 HydrophobicContact CG2-CE2 4.26Å; T521-Y524 PolarHBondContact O-N 2.93Å; T521-G525 PolarHBondContact O-N 2.86Å; T521-T526 PolarHBondContact N-O 2.95Å; T521-T526 VanDerWaalsContact N-O 3.15Å; T521-E528 WeakPolarHBondContact CB-OE1 3.22Å; T521-E528 PolarHBondContact OG1-OE1 2.87Å; T521-R530 PolarHBondContact OG1-NH2 3.03Å |
| 522 | E | 68.8 | Low | 86 | Confident | 136 Ų | 136 | 35.1 Ų | 35.1 | 64% | 0.636 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.1 | -178.7 | -61.9 | -174.6 | 154.9 | 0 | 0 | 113.2 | Y524 | E522-Y524 PolarHBondContact O-N 2.88Š|
| 523 | N | 66.1 | Low | 86.2 | Confident | 114 Ų | 114 | 30.1 Ų | 30.1 | 61% | 0.61 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.8 | 179.5 | -58.6 | -54.5 | 0 | 0 | 0 | 113.9 | T521 | T521-N523 HydrophobicContact CG2-CB 4.02Å; T521-N523 PolarHBondContact O-N 2.86Å; T521-N523 VanDerWaalsContact O-N 3.09Å |
| 524 | Y | 62.4 | Low | 86.3 | Confident | 172 Ų | 172 | 27 Ų | 27 | 68% | 0.675 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -19.1 | -172.9 | -57.3 | -54.5 | 0 | 0 | 0 | 113.3 | T521 E522 T526 | T521-Y524 HydrophobicContact CG2-CD2 3.8Å; T521-Y524 HydrophobicContact CG2-CE2 4.26Å; T521-Y524 PolarHBondContact O-N 2.93Å; E522-Y524 PolarHBondContact O-N 2.88Å; Y524-T526 WeakPolarHBondContact CB-OG1 3.33Å; Y524-T526 PolarHBondContact O-N 2.81Å |
| 525 | G | 72 | Confident | 85.9 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 46% | 0.464 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 18.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F520 T521 | F520-G525 VanDerWaalsContact CE2-C 3.49Å; F520-G525 WeakPolarHBondContact CE2-O 3.35Å; T521-G525 PolarHBondContact O-N 2.86Å |
| 526 | T | 81.8 | Confident | 85.5 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.8 | -176.4 | 47.5 | 0 | 0 | 0 | 0 | 111.5 | T521 Y524 | T521-T526 PolarHBondContact N-O 2.95Å; T521-T526 VanDerWaalsContact N-O 3.15Å; Y524-T526 WeakPolarHBondContact CB-OG1 3.33Å; Y524-T526 PolarHBondContact O-N 2.81Å |
| 527 | S | 88.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.5 | 166.1 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | C519 L548 T552 L553 | C519-S527 CarbonylContact O-C 3.52Å; C519-S527 WeakPolarHBondContact O-CA 3.47Å; S527-L548 WeakPolarHBondContact O-CB 3.39Å; S527-L548 PolarHBondContact O-N 2.99Å; S527-T552 WeakPolarHBondContact CB-O 3.47Å; S527-T552 PolarHBondContact OG-O 2.91Å; S527-L553 WeakPolarHBondContact OG-CD2 3Å |
| 528 | E | 91 | Very high | 84.7 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.1 | -178.2 | -65.3 | 170.6 | -131.2 | 0 | 0 | 110.1 | T518 C519 T521 R530 I545 | T518-E528 CarbonylContact C-O 3.49Å; T518-E528 WeakPolarHBondContact CA-O 3.33Å; C519-E528 PolarHBondContact N-O 2.76Å; C519-E528 PolarHBondContact O-N 2.85Å; T521-E528 WeakPolarHBondContact CB-OE1 3.22Å; T521-E528 PolarHBondContact OG1-OE1 2.87Å; E528-R530 HydrophobicContact CB-CG 4.38Å; E528-R530 VanDerWaalsContact CD-NH2 3.27Å; E528-R530 IonicContact OE1-NH2 3.73Å; E528-R530 PolarHBondContact OE1-NH2 3.33Å; E528-R530 VanDerWaalsContact OE1-NH2 3.11Å; E528-R530 IonicContact OE2-CZ 2.7Å; E528-R530 IonicContact OE2-NE 2.7Å; E528-R530 PolarHBondContact OE2-NE 3.4Å; E528-R530 IonicContact OE2-NH2 2.69Å; E528-R530 PolarHBondContact OE2-NH2 3.15Å; E528-I545 HydrophobicContact CB-CG2 4.32Å; E528-I545 HydrophobicContact CG-CG2 4.27Å; E528-I545 WeakPolarHBondContact OE2-CG2 3.18Å |
| 529 | V | 93 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.6 | 158.7 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | T518 I545 C546 L548 F564 V566 F576 V590 | T518-V529 HydrophobicContact CG2-CG2 3.92Å; V529-I545 WeakPolarHBondContact O-CA 3.38Å; V529-C546 HydrophobicContact CB-CB 4.37Å; V529-C546 PolarHBondContact N-O 3.02Å; V529-C546 PolarHBondContact O-N 3.48Å; V529-L548 HydrophobicContact CG2-CD1 4.36Å; V529-L548 HydrophobicContact CG2-CD2 4.14Å; V529-L548 HydrophobicContact CG2-CG 4.16Å; V529-F564 HydrophobicContact CB-CE1 4.41Å; V529-F564 HydrophobicContact CG1-CD1 3.78Å; V529-F564 HydrophobicContact CG1-CE1 3.54Å; V529-F564 HydrophobicContact CG1-CZ 4.39Å; V529-F564 HydrophobicContact CG2-CD1 4.44Å; V529-F564 HydrophobicContact CG2-CE1 4.06Å; V529-V566 HydrophobicContact CG2-CG2 4.26Å; V529-F576 HydrophobicContact CG2-CD2 4.28Å; V529-F576 HydrophobicContact CG2-CE1 4.28Å; V529-F576 HydrophobicContact CG2-CE2 3.88Å; V529-F576 HydrophobicContact CG2-CZ 3.89Å; V529-V590 HydrophobicContact CG1-CG1 4.33Å |
| 530 | R | 92.8 | Very high | 84.3 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.3 | 172.9 | -63 | -165.2 | -178.3 | 151.5 | 6.3 | 111.8 | L517 T521 E528 Y532 S544 I545 | L517-R530 HydrophobicContact CD1-CB 4.09Å; L517-R530 HydrophobicContact CG-CB 4.5Å; L517-R530 PolarHBondContact N-O 3.16Å; L517-R530 PolarHBondContact O-N 2.94Å; T521-R530 PolarHBondContact OG1-NH2 3.03Å; E528-R530 HydrophobicContact CB-CG 4.38Å; E528-R530 VanDerWaalsContact CD-NH2 3.27Å; E528-R530 IonicContact OE1-NH2 3.73Å; E528-R530 PolarHBondContact OE1-NH2 3.33Å; E528-R530 VanDerWaalsContact OE1-NH2 3.11Å; E528-R530 IonicContact OE2-CZ 2.7Å; E528-R530 IonicContact OE2-NE 2.7Å; E528-R530 PolarHBondContact OE2-NE 3.4Å; E528-R530 IonicContact OE2-NH2 2.69Å; E528-R530 PolarHBondContact OE2-NH2 3.15Å; R530-Y532 HydrophobicContact CB-CD2 4.33Å; R530-Y532 HydrophobicContact CB-CE2 3.69Å; R530-Y532 WeakPolarHBondContact CD-OH 3.49Å; R530-S544 WeakPolarHBondContact CA-O 3.36Å; R530-I545 HydrophobicContact CG-CB 4.48Å; R530-I545 HydrophobicContact CG-CG1 4.05Å; R530-I545 HydrophobicContact CG-CG2 4.25Å |
| 531 | V | 94.4 | Very high | 84.2 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.1 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | Y514 I515 C516 S543 S544 L578 V588 V590 | Y514-V531 HydrophobicContact CD1-CG1 4.41Å; Y514-V531 HydrophobicContact CG-CG1 4.3Å; I515-V531 WeakPolarHBondContact O-CA 3.46Å; C516-V531 HydrophobicContact CB-CG2 4.22Å; V531-S543 VanDerWaalsContact O-CA 3.28Å; V531-S543 WeakPolarHBondContact O-CA 3.49Å; V531-S544 PolarHBondContact N-O 3.41Å; V531-S544 PolarHBondContact O-N 3.09Å; V531-L578 HydrophobicContact CG2-CD2 4.33Å; V531-V588 HydrophobicContact CB-CB 4.49Å; V531-V588 HydrophobicContact CG1-CB 4.04Å; V531-V588 HydrophobicContact CG1-CG1 4.45Å; V531-V588 HydrophobicContact CG1-CG2 3.82Å; V531-V590 HydrophobicContact CB-CG2 4.42Å; V531-V590 HydrophobicContact CG2-CG2 3.7Å |
| 532 | Y | 93.5 | Very high | 84.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.9 | -178.3 | -67.6 | -100.2 | 0 | 0 | 0 | 110.8 | F480 F493 L502 Y514 I515 L517 R530 L538 N540 | F480-Y532 AromaticContact CE1-CD2 3.71Å; F480-Y532 HydrophobicContact CE1-CD2 3.71Å; F480-Y532 AromaticContact CE1-CE2 3.71Å; F480-Y532 HydrophobicContact CE1-CE2 3.71Å; F480-Y532 HydrophobicContact CE1-CG 4.18Å; F480-Y532 HydrophobicContact CZ-CD1 4.23Å; F480-Y532 AromaticContact CZ-CD2 3.64Å; F480-Y532 HydrophobicContact CZ-CD2 3.64Å; F480-Y532 HydrophobicContact CZ-CE2 4.12Å; F480-Y532 AromaticContact CZ-CG 3.72Å; F480-Y532 HydrophobicContact CZ-CG 3.72Å; F493-Y532 HydrophobicContact CE1-CE1 4.06Å; F493-Y532 AromaticContact CZ-CE1 3.98Å; F493-Y532 HydrophobicContact CZ-CE1 3.98Å; L502-Y532 HydrophobicContact CD1-CE2 4.2Å; L502-Y532 VanDerWaalsContact CD1-OH 3.27Å; L502-Y532 WeakPolarHBondContact CD1-OH 3.41Å; Y514-Y532 CarbonylContact C-O 3.44Å; Y514-Y532 VanDerWaalsContact CA-O 3.28Å; Y514-Y532 WeakPolarHBondContact CA-O 2.78Å; I515-Y532 PolarHBondContact N-O 3.21Å; I515-Y532 PolarHBondContact O-N 2.85Å; L517-Y532 HydrophobicContact CD2-CD2 4.42Å; L517-Y532 HydrophobicContact CD2-CE2 4.37Å; R530-Y532 HydrophobicContact CB-CD2 4.33Å; R530-Y532 HydrophobicContact CB-CE2 3.69Å; R530-Y532 WeakPolarHBondContact CD-OH 3.49Å; Y532-L538 HydrophobicContact CD1-CD2 4.45Å; Y532-N540 PolarHBondContact OH-OD1 2.92Å |
| 533 | S | 91.2 | Very high | 85.2 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | D535 | S533-D535 VanDerWaalsContact C-N 3.3Å; S533-D535 PolarHBondContact O-N 3.14Å; S533-D535 PolarHBondContact OG-N 2.67Å |
| 534 | S | 89.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -16 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | K471 H482 Q513 H536 | K471-S534 WeakPolarHBondContact CD-OG 3.4Å; K471-S534 PolarHBondContact NZ-OG 2.61Å; H482-S534 PolarHBondContact CE1-O 3.31Å; H482-S534 PolarHBondContact NE2-O 3.37Å; Q513-S534 WeakPolarHBondContact O-CB 3.5Å; Q513-S534 PolarHBondContact O-N 3.36Å; Q513-S534 PolarHBondContact O-OG 3.07Å; S534-H536 VanDerWaalsContact C-N 3.3Å |
| 535 | D | 86 | Confident | 87.6 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 47% | 0.465 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.7 | 178.8 | -50.8 | -57.2 | 0 | 0 | 0 | 112.3 | K471 Q513 S533 | K471-D535 IonicContact NZ-OD1 3.89Å; K471-D535 PolarHBondContact NZ-OD1 3.46Å; K471-D535 IonicContact NZ-OD2 2.73Å; Q513-D535 WeakPolarHBondContact CB-OD2 3.47Å; S533-D535 VanDerWaalsContact C-N 3.3Å; S533-D535 PolarHBondContact O-N 3.14Å; S533-D535 PolarHBondContact OG-N 2.67Å |
| 536 | H | 85.5 | Confident | 88.5 | Confident | 70 Ų | 70 | 39 Ų | 39 | 32% | 0.324 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -108.2 | 171.8 | 175.7 | -74.9 | -103.7 | 0 | 0 | 0 | 111.4 | S534 F542 | S534-H536 VanDerWaalsContact C-N 3.3Å; H536-F542 HydrophobicContact CB-CB 4.37Å; H536-F542 HydrophobicContact CB-CG 4.34Å |
| 537 | K | 85.1 | Confident | 88.7 | Confident | 166 Ų | 166 | 42.4 Ų | 42.4 | 72% | 0.722 | 21% | 0.212 | S | C | * | . | trans | -70.3 | 143.2 | 171.9 | -70.1 | -174.4 | 176.5 | -176 | 0 | 110 | D539 | K537-D539 PolarHBondContact O-N 3.4Š| ||
| 538 | L | 88.5 | Confident | 88.6 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -69.8 | 98.8 | 170.3 | -62.5 | -178.1 | 0 | 0 | 0 | 109.2 | F480 H491 F493 G494 Y532 | F480-L538 HydrophobicContact CD2-CD1 4.41Å; F480-L538 HydrophobicContact CE2-CD1 3.96Å; F480-L538 HydrophobicContact CE2-CD2 3.73Å; F480-L538 HydrophobicContact CZ-CD1 4.42Å; F480-L538 HydrophobicContact CZ-CD2 3.72Å; H491-L538 WeakPolarHBondContact O-CD1 3.48Å; F493-L538 WeakPolarHBondContact CA-O 3.41Å; F493-L538 HydrophobicContact CD1-CB 4.04Å; F493-L538 WeakPolarHBondContact CD1-O 3.46Å; F493-L538 HydrophobicContact CD2-CB 3.96Å; F493-L538 HydrophobicContact CD2-CD1 4.13Å; F493-L538 HydrophobicContact CE1-CB 4.18Å; F493-L538 HydrophobicContact CE2-CB 4.09Å; F493-L538 HydrophobicContact CE2-CD1 4.15Å; F493-L538 HydrophobicContact CG-CB 3.93Å; F493-L538 HydrophobicContact CZ-CB 4.2Å; G494-L538 PolarHBondContact N-O 3.25Å; G494-L538 VanDerWaalsContact N-O 3.08Å; Y532-L538 HydrophobicContact CD1-CD2 4.45Å |
| 539 | D | 86.7 | Confident | 88.1 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -151.5 | 142.1 | 173 | -169.2 | -46.1 | 0 | 0 | 0 | 107.5 | Q498 K537 Q541 F542 | Q498-D539 PolarHBondContact NE2-OD1 3.17Å; Q498-D539 VanDerWaalsContact OE1-CA 3.31Å; Q498-D539 PolarHBondContact OE1-OD1 3.08Å; K537-D539 PolarHBondContact O-N 3.4Å; D539-Q541 PolarHBondContact O-N 2.96Å; D539-Q541 VanDerWaalsContact O-N 3.08Å; D539-Q541 WeakPolarHBondContact OD1-CG 3.36Å; D539-Q541 PolarHBondContact OD1-N 3.35Å; D539-F542 HydrophobicContact CB-CD2 4.23Å; D539-F542 PolarHBondContact O-N 3.16Å |
| 540 | N | 86.9 | Confident | 87.1 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -57.5 | -22.3 | 176.7 | -65.8 | -5.9 | 0 | 0 | 0 | 113.1 | Q498 Y532 F542 S543 | Q498-N540 VanDerWaalsContact OE1-N 3.07Å; Y532-N540 PolarHBondContact OH-OD1 2.92Å; N540-F542 PolarHBondContact O-N 3.23Å; N540-S543 WeakPolarHBondContact CA-OG 3.06Å; N540-S543 PolarHBondContact O-N 3.39Å; N540-S543 VanDerWaalsContact O-N 3.12Å; N540-S543 PolarHBondContact O-OG 2.92Å |
| 541 | Q | 84.5 | Confident | 86.3 | Confident | 154 Ų | 154 | 57.5 Ų | 57.5 | 72% | 0.72 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.1 | 172.5 | -69.5 | -178.4 | 31.8 | 0 | 0 | 114.4 | D539 | D539-Q541 PolarHBondContact O-N 2.96Å; D539-Q541 VanDerWaalsContact O-N 3.08Å; D539-Q541 WeakPolarHBondContact OD1-CG 3.36Å; D539-Q541 PolarHBondContact OD1-N 3.35Å |
| 542 | F | 83.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 31% | 0.307 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -110.3 | 9.1 | 178.6 | -54.2 | -68.9 | 0 | 0 | 0 | 113 | H536 D539 N540 | H536-F542 HydrophobicContact CB-CB 4.37Å; H536-F542 HydrophobicContact CB-CG 4.34Å; D539-F542 HydrophobicContact CB-CD2 4.23Å; D539-F542 PolarHBondContact O-N 3.16Å; N540-F542 PolarHBondContact O-N 3.23Å |
| 543 | S | 87 | Confident | 85.4 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 148.2 | 174 | 69 | 0 | 0 | 0 | 0 | 111.8 | V531 N540 | V531-S543 VanDerWaalsContact O-CA 3.28Å; V531-S543 WeakPolarHBondContact O-CA 3.49Å; N540-S543 WeakPolarHBondContact CA-OG 3.06Å; N540-S543 PolarHBondContact O-N 3.39Å; N540-S543 VanDerWaalsContact O-N 3.12Å; N540-S543 PolarHBondContact O-OG 2.92Å |
| 544 | S | 88.9 | Confident | 85.3 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.7 | 154.2 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | R530 V531 V588 | R530-S544 WeakPolarHBondContact CA-O 3.36Å; V531-S544 PolarHBondContact N-O 3.41Å; V531-S544 PolarHBondContact O-N 3.09Å; S544-V588 WeakPolarHBondContact CB-O 3.45Å; S544-V588 PolarHBondContact OG-O 2.95Å |
| 545 | I | 89.7 | Confident | 85.4 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.3 | -172.9 | -53.7 | -177.5 | 0 | 0 | 0 | 107.7 | E528 V529 R530 | E528-I545 HydrophobicContact CB-CG2 4.32Å; E528-I545 HydrophobicContact CG-CG2 4.27Å; E528-I545 WeakPolarHBondContact OE2-CG2 3.18Å; V529-I545 WeakPolarHBondContact O-CA 3.38Å; R530-I545 HydrophobicContact CG-CB 4.48Å; R530-I545 HydrophobicContact CG-CG1 4.05Å; R530-I545 HydrophobicContact CG-CG2 4.25Å |
| 546 | C | 89.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 14% | 0.142 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.3 | 173.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | V529 V590 | V529-C546 HydrophobicContact CB-CB 4.37Å; V529-C546 PolarHBondContact N-O 3.02Å; V529-C546 PolarHBondContact O-N 3.48Å; C546-V590 HydrophobicContact CB-CB 4.22Å; C546-V590 HydrophobicContact CB-CG1 3.89Å |
| 547 | D | 87.6 | Confident | 86.1 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 143.5 | -175.8 | -54.9 | -39.9 | 0 | 0 | 0 | 111.6 | ||
| 548 | L | 85.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 157.4 | 169.8 | -71.8 | 160.3 | 0 | 0 | 0 | 110.5 | T518 S527 V529 S550 V566 Q574 F576 | T518-L548 HydrophobicContact CG2-CD1 4.13Å; S527-L548 WeakPolarHBondContact O-CB 3.39Å; S527-L548 PolarHBondContact O-N 2.99Å; V529-L548 HydrophobicContact CG2-CD1 4.36Å; V529-L548 HydrophobicContact CG2-CD2 4.14Å; V529-L548 HydrophobicContact CG2-CG 4.16Å; L548-S550 PolarHBondContact O-N 3.33Å; L548-V566 HydrophobicContact CD2-CG1 4.47Å; L548-Q574 VanDerWaalsContact CD2-OE1 3.31Å; L548-F576 HydrophobicContact CD2-CE2 4.09Å; L548-F576 HydrophobicContact CD2-CZ 3.71Å |
| 549 | P | 80.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 46 Ų | 46 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 133.8 | 175.3 | -27.3 | 35.3 | 0 | 0 | 0 | 112.7 | L551 T552 | P549-L551 PolarHBondContact O-N 2.91Å; P549-T552 HydrophobicContact CB-CG2 4.09Å; P549-T552 WeakPolarHBondContact O-CB 3.33Å; P549-T552 PolarHBondContact O-N 3.45Å; P549-T552 VanDerWaalsContact O-N 3.1Å; P549-T552 PolarHBondContact O-OG1 3.48Å |
| 550 | S | 71.7 | Confident | 86.5 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 138.5 | -177 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | L548 T552 | L548-S550 PolarHBondContact O-N 3.33Å; S550-T552 PolarHBondContact O-N 3.47Å |
| 551 | L | 75.4 | Confident | 86.3 | Confident | 155 Ų | 155 | 46.5 Ų | 46.5 | 81% | 0.812 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | -0.8 | -177 | -50.2 | 172 | 0 | 0 | 0 | 115.9 | P549 | P549-L551 PolarHBondContact O-N 2.91Š|
| 552 | T | 82.5 | Confident | 86.5 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | trans | -86.7 | 141.2 | 170.8 | 69.7 | 0 | 0 | 0 | 0 | 111.7 | S527 P549 S550 N569 | S527-T552 WeakPolarHBondContact CB-O 3.47Å; S527-T552 PolarHBondContact OG-O 2.91Å; P549-T552 HydrophobicContact CB-CG2 4.09Å; P549-T552 WeakPolarHBondContact O-CB 3.33Å; P549-T552 PolarHBondContact O-N 3.45Å; P549-T552 VanDerWaalsContact O-N 3.1Å; P549-T552 PolarHBondContact O-OG1 3.48Å; S550-T552 PolarHBondContact O-N 3.47Å; T552-N569 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 553 | L | 86.3 | Confident | 86.8 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -114.8 | 142 | 171.4 | -90 | -127.3 | 0 | 0 | 0 | 111.3 | F505 F520 S527 T568 N569 S1477 | F505-L553 HydrophobicContact CD1-CD1 4.31Å; F505-L553 HydrophobicContact CD2-CD1 4.41Å; F505-L553 HydrophobicContact CE1-CD1 4.33Å; F505-L553 HydrophobicContact CE2-CD1 4.41Å; F505-L553 HydrophobicContact CG-CD1 4.35Å; F505-L553 HydrophobicContact CZ-CD1 4.37Å; F520-L553 HydrophobicContact CD2-CD2 4.09Å; S527-L553 WeakPolarHBondContact OG-CD2 3Å; L553-T568 CarbonylContact O-C 3.58Å; L553-T568 WeakPolarHBondContact O-CA 3.48Å; L553-T568 WeakPolarHBondContact O-CB 3.42Å; L553-N569 HydrophobicContact CB-CB 4.27Å; L553-N569 PolarHBondContact N-OD1 3.32Å; L553-N569 PolarHBondContact O-N 3.42Å; L553-N569 PolarHBondContact O-OD1 3.16Å; L553-S1477 VanDerWaalsContact CG-CB 3.44Å; L553-S1477 VanDerWaalsContact CG-OG 3.25Å; L553-S1477 WeakPolarHBondContact CG-OG 3.35Å | ||
| 554 | P | 90.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.2 | 172.8 | 34.1 | -36.5 | 0 | 0 | 0 | 111.3 | F505 G506 T518 V566 | F505-P554 HydrophobicContact CB-CG 3.7Å; G506-P554 PolarHBondContact N-O 2.95Å; T518-P554 HydrophobicContact CG2-CB 4.09Å; T518-P554 HydrophobicContact CG2-CG 4.45Å; T518-P554 WeakPolarHBondContact OG1-CB 3.45Å; P554-V566 HydrophobicContact CB-CG1 3.68Å |
| 555 | V | 89.9 | Confident | 87.3 | Confident | 43 Ų | 43 | 36.8 Ų | 36.8 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -45.5 | -176.3 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | L567 N569 P605 | V555-L567 PolarHBondContact N-O 2.95Å; V555-N569 HydrophobicContact CG2-CB 3.97Å; V555-P605 HydrophobicContact CG2-CB 4.35Å |
| 556 | I | 93 | Very high | 87.5 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146.2 | 175.3 | -73.7 | 178.6 | 0 | 0 | 0 | 109.1 | P414 G506 L567 V608 I611 | P414-I556 HydrophobicContact CG-CD1 4.23Å; P414-I556 HydrophobicContact CG-CG1 4.49Å; P414-I556 HydrophobicContact CG-CG2 3.99Å; G506-I556 WeakPolarHBondContact O-CA 3.29Å; I556-L567 PolarHBondContact O-N 3.11Å; I556-V608 HydrophobicContact CD1-CB 4.34Å; I556-V608 HydrophobicContact CD1-CG1 4.06Å; I556-V608 VanDerWaalsContact CD1-O 3.31Å; I556-V608 WeakPolarHBondContact CD1-O 3.44Å; I556-I611 HydrophobicContact CG2-CG2 3.97Å |
| 557 | V | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 153.6 | 168.2 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | T415 G506 T518 F564 L565 V566 | T415-V557 HydrophobicContact CG2-CG2 4.3Å; T415-V557 WeakPolarHBondContact CG2-O 3.39Å; G506-V557 PolarHBondContact O-N 3.02Å; T518-V557 HydrophobicContact CG2-CG1 4.19Å; T518-V557 WeakPolarHBondContact OG1-CG1 3.41Å; V557-F564 HydrophobicContact CB-CE2 4.2Å; V557-F564 HydrophobicContact CB-CZ 4.07Å; V557-F564 HydrophobicContact CG1-CE1 4.46Å; V557-F564 HydrophobicContact CG1-CE2 4.49Å; V557-F564 HydrophobicContact CG1-CZ 3.86Å; V557-L565 WeakPolarHBondContact CA-O 3.36Å; V557-L565 WeakPolarHBondContact CB-O 3.4Å; V557-V566 HydrophobicContact CG1-CG2 4.2Å |
| 558 | D | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 163.6 | 167.4 | -158 | -6.2 | 0 | 0 | 0 | 110.6 | T415 S416 L565 R610 I611 C612 | T415-D558 WeakPolarHBondContact CA-OD1 3.49Å; S416-D558 WeakPolarHBondContact CB-OD1 3.44Å; S416-D558 PolarHBondContact N-OD1 2.93Å; S416-D558 PolarHBondContact OG-OD1 3.14Å; S416-D558 PolarHBondContact OG-OD2 3.31Å; S416-D558 VanDerWaalsContact OG-OD2 3.12Å; D558-L565 PolarHBondContact N-O 3.08Å; D558-L565 VanDerWaalsContact O-CB 3.27Å; D558-L565 WeakPolarHBondContact O-CB 3.41Å; D558-L565 PolarHBondContact O-N 3.29Å; D558-R610 IonicContact OD2-CZ 3.76Å; D558-R610 IonicContact OD2-NE 3.59Å; D558-R610 PolarHBondContact OD2-NE 2.94Å; D558-R610 IonicContact OD2-NH2 2.98Å; D558-R610 PolarHBondContact OD2-NH2 3.13Å; D558-I611 WeakPolarHBondContact CB-O 3.33Å; D558-C612 WeakPolarHBondContact OD2-CB 3.23Å |
| 559 | N | 89.5 | Confident | 88.1 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.5 | 179 | -83.5 | -13.1 | 0 | 0 | 0 | 111.8 | A509 W510 F564 | A509-N559 HydrophobicContact CB-CB 4.37Å; A509-N559 VanDerWaalsContact CB-ND2 3.29Å; A509-N559 WeakPolarHBondContact CB-ND2 3.14Å; W510-N559 PolarHBondContact O-ND2 3.05Å; N559-F564 WeakPolarHBondContact OD1-CD2 3.3Å |
| 560 | F | 87.1 | Confident | 88.5 | Confident | 19 Ų | 19 | 28.3 Ų | 28.3 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 102.5 | 167.5 | -174.2 | -94.1 | 0 | 0 | 0 | 111.4 | N562 L563 L613 T615 I643 | F560-N562 PolarHBondContact O-N 3.14Å; F560-L563 PolarHBondContact N-O 3.07Å; F560-L563 WeakPolarHBondContact O-CB 3.44Å; F560-L563 PolarHBondContact O-N 3.11Å; F560-L613 HydrophobicContact CB-CB 3.94Å; F560-L613 HydrophobicContact CB-CD1 4.5Å; F560-L613 HydrophobicContact CD1-CB 4.11Å; F560-L613 HydrophobicContact CD2-CB 4.13Å; F560-L613 WeakPolarHBondContact CD2-O 3.46Å; F560-L613 WeakPolarHBondContact CE2-O 3.14Å; F560-L613 HydrophobicContact CG-CB 3.78Å; F560-T615 HydrophobicContact CZ-CG2 4.26Å; F560-I643 HydrophobicContact CD1-CG1 3.96Å; F560-I643 HydrophobicContact CE1-CG1 3.6Å |
| 561 | G | 83.1 | Confident | 89.3 | Confident | 59 Ų | 59 | 23.7 Ų | 23.7 | 61% | 0.608 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | -102.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W511 | W511-G561 PolarHBondContact NE1-O 3.24Š|
| 562 | N | 87.9 | Confident | 90 | Very high | 53 Ų | 53 | 17.5 Ų | 17.5 | 28% | 0.283 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 17 | 174.2 | -71.4 | -9.3 | 0 | 0 | 0 | 112.6 | W511 F560 L578 | W511-N562 WeakPolarHBondContact CZ2-OD1 3.36Å; W511-N562 PolarHBondContact NE1-OD1 2.88Å; F560-N562 PolarHBondContact O-N 3.14Å; N562-L578 PolarHBondContact O-N 3.47Å |
| 563 | L | 90.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.4 | 175.7 | -66.5 | -179.6 | 0 | 0 | 0 | 111.8 | F560 L565 I575 F576 L613 F640 I643 | F560-L563 PolarHBondContact N-O 3.07Å; F560-L563 WeakPolarHBondContact O-CB 3.44Å; F560-L563 PolarHBondContact O-N 3.11Å; L563-L565 HydrophobicContact CB-CD2 4.46Å; L563-I575 HydrophobicContact CB-CG2 4.38Å; L563-I575 HydrophobicContact CD1-CG2 3.84Å; L563-I575 HydrophobicContact CD2-CG2 3.74Å; L563-I575 HydrophobicContact CG-CG2 4.21Å; L563-F576 WeakPolarHBondContact CA-O 3.42Å; L563-L613 HydrophobicContact CD1-CD1 3.67Å; L563-F640 HydrophobicContact CD2-CD1 4.34Å; L563-F640 HydrophobicContact CD2-CE1 3.71Å; L563-F640 HydrophobicContact CG-CE1 4.18Å; L563-I643 HydrophobicContact CD1-CD1 3.45Å; L563-I643 VanDerWaalsContact CD1-CD1 3.45Å |
| 564 | F | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.8 | 165.6 | -177.8 | -106.3 | 0 | 0 | 0 | 108.8 | A509 C516 T518 V529 V557 N559 V566 F576 L578 | A509-F564 HydrophobicContact CB-CE2 4.48Å; C516-F564 HydrophobicContact CB-CD2 3.52Å; C516-F564 HydrophobicContact CB-CE2 3.44Å; C516-F564 VanDerWaalsContact CB-CE2 3.44Å; C516-F564 HydrophobicContact CB-CG 4.42Å; C516-F564 HydrophobicContact CB-CZ 4.28Å; T518-F564 HydrophobicContact CG2-CE1 3.95Å; T518-F564 HydrophobicContact CG2-CZ 4.16Å; V529-F564 HydrophobicContact CB-CE1 4.41Å; V529-F564 HydrophobicContact CG1-CD1 3.78Å; V529-F564 HydrophobicContact CG1-CE1 3.54Å; V529-F564 HydrophobicContact CG1-CZ 4.39Å; V529-F564 HydrophobicContact CG2-CD1 4.44Å; V529-F564 HydrophobicContact CG2-CE1 4.06Å; V557-F564 HydrophobicContact CB-CE2 4.2Å; V557-F564 HydrophobicContact CB-CZ 4.07Å; V557-F564 HydrophobicContact CG1-CE1 4.46Å; V557-F564 HydrophobicContact CG1-CE2 4.49Å; V557-F564 HydrophobicContact CG1-CZ 3.86Å; N559-F564 WeakPolarHBondContact OD1-CD2 3.3Å; F564-V566 HydrophobicContact CD1-CG2 3.7Å; F564-V566 HydrophobicContact CE1-CG2 3.29Å; F564-V566 HydrophobicContact CZ-CG2 4.17Å; F564-F576 HydrophobicContact CB-CB 4.36Å; F564-F576 HydrophobicContact CD1-CD2 4.19Å; F564-F576 PolarHBondContact N-O 3.16Å; F564-F576 PolarHBondContact O-N 3.01Å; F564-L578 HydrophobicContact CB-CD1 4.05Å; F564-L578 HydrophobicContact CB-CD2 4.24Å; F564-L578 HydrophobicContact CB-CG 4.13Å |
| 565 | L | 93.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.1 | -174.7 | -54 | 176.1 | 0 | 0 | 0 | 109.7 | V557 D558 L563 L573 I575 L613 | V557-L565 WeakPolarHBondContact CA-O 3.36Å; V557-L565 WeakPolarHBondContact CB-O 3.4Å; D558-L565 PolarHBondContact N-O 3.08Å; D558-L565 VanDerWaalsContact O-CB 3.27Å; D558-L565 WeakPolarHBondContact O-CB 3.41Å; D558-L565 PolarHBondContact O-N 3.29Å; L563-L565 HydrophobicContact CB-CD2 4.46Å; L565-L573 HydrophobicContact CB-CD1 4.18Å; L565-I575 HydrophobicContact CD2-CB 4.31Å; L565-I575 HydrophobicContact CD2-CD1 4.37Å; L565-I575 HydrophobicContact CD2-CG1 3.86Å; L565-I575 HydrophobicContact CD2-CG2 4Å; L565-L613 HydrophobicContact CD1-CB 4.36Å; L565-L613 HydrophobicContact CD1-CD1 4.2Å; L565-L613 HydrophobicContact CD1-CG 3.88Å; L565-L613 HydrophobicContact CD2-CD1 3.74Å; L565-L613 HydrophobicContact CD2-CG 4.19Å |
| 566 | V | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 113.2 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 109 | T518 V529 L548 P554 V557 F564 T568 Q574 F576 | T518-V566 HydrophobicContact CG2-CG1 4.05Å; T518-V566 HydrophobicContact CG2-CG2 3.76Å; V529-V566 HydrophobicContact CG2-CG2 4.26Å; L548-V566 HydrophobicContact CD2-CG1 4.47Å; P554-V566 HydrophobicContact CB-CG1 3.68Å; V557-V566 HydrophobicContact CG1-CG2 4.2Å; F564-V566 HydrophobicContact CD1-CG2 3.7Å; F564-V566 HydrophobicContact CE1-CG2 3.29Å; F564-V566 HydrophobicContact CZ-CG2 4.17Å; V566-T568 HydrophobicContact CG1-CG2 4.15Å; V566-Q574 HydrophobicContact CB-CB 4.48Å; V566-Q574 PolarHBondContact N-O 3.16Å; V566-Q574 PolarHBondContact O-N 3.33Å; V566-F576 HydrophobicContact CB-CE2 4.35Å; V566-F576 HydrophobicContact CG2-CD2 4.19Å; V566-F576 HydrophobicContact CG2-CE2 3.9Å |
| 567 | L | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.1 | 166.4 | 177.8 | 68.6 | 0 | 0 | 0 | 108.9 | V555 I556 L598 V608 | V555-L567 PolarHBondContact N-O 2.95Å; I556-L567 PolarHBondContact O-N 3.11Å; L567-L598 HydrophobicContact CD1-CD1 4.39Å; L567-V608 HydrophobicContact CD2-CB 3.75Å; L567-V608 HydrophobicContact CD2-CG1 3.88Å; L567-V608 HydrophobicContact CD2-CG2 3.65Å |
| 568 | T | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 161.1 | 176 | 44 | 0 | 0 | 0 | 0 | 113.8 | L553 V566 D570 G571 C572 Q574 | L553-T568 CarbonylContact O-C 3.58Å; L553-T568 WeakPolarHBondContact O-CA 3.48Å; L553-T568 WeakPolarHBondContact O-CB 3.42Å; V566-T568 HydrophobicContact CG1-CG2 4.15Å; T568-D570 WeakPolarHBondContact CB-OD1 3.48Å; T568-D570 PolarHBondContact O-N 3.14Å; T568-D570 VanDerWaalsContact O-N 3.15Å; T568-D570 PolarHBondContact OG1-OD1 3.31Å; T568-G571 PolarHBondContact O-N 2.88Å; T568-C572 PolarHBondContact N-O 3.26Å; T568-C572 PolarHBondContact OG1-O 2.94Å; T568-C572 VanDerWaalsContact OG1-O 3.07Å; T568-Q574 VanDerWaalsContact CG2-NE2 3.34Å; T568-Q574 PolarHBondContact OG1-NE2 3.47Å |
| 569 | N | 89.5 | Confident | 90.5 | Very high | 47 Ų | 47 | 17.3 Ų | 17.3 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.1 | -174.9 | 67.8 | -33.5 | 0 | 0 | 0 | 115.3 | T552 L553 V555 | T552-N569 WeakPolarHBondContact CA-OD1 3.27Å; L553-N569 HydrophobicContact CB-CB 4.27Å; L553-N569 PolarHBondContact N-OD1 3.32Å; L553-N569 PolarHBondContact O-N 3.42Å; L553-N569 PolarHBondContact O-OD1 3.16Å; V555-N569 HydrophobicContact CG2-CB 3.97Å |
| 570 | D | 88.1 | Confident | 90.4 | Very high | 65 Ų | 65 | 20.8 Ų | 20.8 | 35% | 0.348 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.8 | 171.7 | 65.1 | -22.4 | 0 | 0 | 0 | 113.3 | T568 C572 T599 | T568-D570 WeakPolarHBondContact CB-OD1 3.48Å; T568-D570 PolarHBondContact O-N 3.14Å; T568-D570 VanDerWaalsContact O-N 3.15Å; T568-D570 PolarHBondContact OG1-OD1 3.31Å; D570-C572 WeakPolarHBondContact OD1-CB 3.46Å; D570-C572 PolarHBondContact OD1-N 2.95Å; D570-C572 WeakPolarHBondContact OD2-CB 3.29Å; D570-C572 PolarHBondContact OD2-SG 2.81Å; D570-T599 WeakPolarHBondContact O-CG2 3.5Å |
| 571 | G | 88.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 91.1 | 6.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T568 L598 | T568-G571 PolarHBondContact O-N 2.88Å; G571-L598 WeakPolarHBondContact O-CA 3.46Å; G571-L598 VanDerWaalsContact O-CB 3.32Å; G571-L598 WeakPolarHBondContact O-CB 3.44Å; G571-L598 PolarHBondContact O-N 2.8Å |
| 572 | C | 91 | Very high | 89.8 | Confident | 26 Ų | 26 | 25.1 Ų | 25.1 | 18% | 0.176 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.6 | 174.1 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | T568 D570 | T568-C572 PolarHBondContact N-O 3.26Å; T568-C572 PolarHBondContact OG1-O 2.94Å; T568-C572 VanDerWaalsContact OG1-O 3.07Å; D570-C572 WeakPolarHBondContact OD1-CB 3.46Å; D570-C572 PolarHBondContact OD1-N 2.95Å; D570-C572 WeakPolarHBondContact OD2-CB 3.29Å; D570-C572 PolarHBondContact OD2-SG 2.81Å |
| 573 | L | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.2 | 164.6 | 173 | 64.1 | 0 | 0 | 0 | 109.3 | L565 I575 A595 V596 L598 I611 L646 | L565-L573 HydrophobicContact CB-CD1 4.18Å; L573-I575 HydrophobicContact CD2-CD1 4.4Å; L573-I575 HydrophobicContact CD2-CG1 4.47Å; L573-I575 HydrophobicContact CG-CG1 4.16Å; L573-A595 CarbonylContact O-C 3.44Å; L573-A595 WeakPolarHBondContact O-CA 3.47Å; L573-V596 HydrophobicContact CB-CB 4.36Å; L573-V596 PolarHBondContact N-O 3.22Å; L573-V596 PolarHBondContact O-N 2.71Å; L573-L598 HydrophobicContact CB-CD1 3.9Å; L573-L598 HydrophobicContact CB-CG 4.46Å; L573-I611 HydrophobicContact CD1-CD1 4.24Å; L573-I611 HydrophobicContact CD2-CD1 4.01Å; L573-L646 HydrophobicContact CD2-CD1 3.7Å; L573-L646 HydrophobicContact CD2-CD2 3.73Å; L573-L646 HydrophobicContact CD2-CG 4.4Å |
| 574 | Q | 91.5 | Very high | 88.2 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.5 | 175.7 | -55 | -174.7 | 40.2 | 0 | 0 | 109.6 | L548 V566 T568 F576 | L548-Q574 VanDerWaalsContact CD2-OE1 3.31Å; V566-Q574 HydrophobicContact CB-CB 4.48Å; V566-Q574 PolarHBondContact N-O 3.16Å; V566-Q574 PolarHBondContact O-N 3.33Å; T568-Q574 VanDerWaalsContact CG2-NE2 3.34Å; T568-Q574 PolarHBondContact OG1-NE2 3.47Å; Q574-F576 HydrophobicContact CB-CE2 3.75Å; Q574-F576 HydrophobicContact CB-CZ 4.2Å |
| 575 | I | 91.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.8 | -173.8 | -55.8 | -177.7 | 0 | 0 | 0 | 107.9 | L563 L565 L573 F593 K594 V596 | L563-I575 HydrophobicContact CB-CG2 4.38Å; L563-I575 HydrophobicContact CD1-CG2 3.84Å; L563-I575 HydrophobicContact CD2-CG2 3.74Å; L563-I575 HydrophobicContact CG-CG2 4.21Å; L565-I575 HydrophobicContact CD2-CB 4.31Å; L565-I575 HydrophobicContact CD2-CD1 4.37Å; L565-I575 HydrophobicContact CD2-CG1 3.86Å; L565-I575 HydrophobicContact CD2-CG2 4Å; L573-I575 HydrophobicContact CD2-CD1 4.4Å; L573-I575 HydrophobicContact CD2-CG1 4.47Å; L573-I575 HydrophobicContact CG-CG1 4.16Å; I575-F593 HydrophobicContact CG2-CB 4.48Å; I575-F593 HydrophobicContact CG2-CD1 4.21Å; I575-F593 WeakPolarHBondContact O-CA 3.32Å; I575-F593 WeakPolarHBondContact O-CB 3.34Å; I575-F593 PolarHBondContact O-N 3.23Å; I575-K594 HydrophobicContact CB-CB 4.42Å; I575-K594 WeakPolarHBondContact CB-O 3.49Å; I575-K594 PolarHBondContact N-O 3.25Å; I575-K594 PolarHBondContact O-N 3.41Å; I575-V596 HydrophobicContact CD1-CG2 4.23Å |
| 576 | F | 91.5 | Very high | 85.9 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.2 | -179.9 | -60 | -95.1 | 0 | 0 | 0 | 110.6 | V529 L548 L563 F564 V566 Q574 V590 S591 P592 | V529-F576 HydrophobicContact CG2-CD2 4.28Å; V529-F576 HydrophobicContact CG2-CE1 4.28Å; V529-F576 HydrophobicContact CG2-CE2 3.88Å; V529-F576 HydrophobicContact CG2-CZ 3.89Å; L548-F576 HydrophobicContact CD2-CE2 4.09Å; L548-F576 HydrophobicContact CD2-CZ 3.71Å; L563-F576 WeakPolarHBondContact CA-O 3.42Å; F564-F576 HydrophobicContact CB-CB 4.36Å; F564-F576 HydrophobicContact CD1-CD2 4.19Å; F564-F576 PolarHBondContact N-O 3.16Å; F564-F576 PolarHBondContact O-N 3.01Å; V566-F576 HydrophobicContact CB-CE2 4.35Å; V566-F576 HydrophobicContact CG2-CD2 4.19Å; V566-F576 HydrophobicContact CG2-CE2 3.9Å; Q574-F576 HydrophobicContact CB-CE2 3.75Å; Q574-F576 HydrophobicContact CB-CZ 4.2Å; F576-V590 HydrophobicContact CB-CG1 4.08Å; F576-V590 HydrophobicContact CD1-CG1 4.07Å; F576-V590 HydrophobicContact CG-CG1 4.36Å; F576-S591 CarbonylContact C-O 3.46Å; F576-S591 WeakPolarHBondContact CA-O 3.41Å; F576-P592 HydrophobicContact CD1-CB 4.09Å; F576-P592 HydrophobicContact CE1-CB 3.96Å |
| 577 | G | 90.6 | Very high | 85.2 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V590 S591 | G577-V590 WeakPolarHBondContact O-CA 3.35Å; G577-S591 PolarHBondContact N-O 3.18Å; G577-S591 PolarHBondContact O-N 2.84Å |
| 578 | L | 91.6 | Very high | 85 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.1 | 174 | -58.6 | -176.9 | 0 | 0 | 0 | 110.3 | W511 V531 N562 F564 V588 V590 | W511-L578 HydrophobicContact CB-CD1 3.79Å; W511-L578 HydrophobicContact CD2-CB 3.98Å; W511-L578 HydrophobicContact CD2-CD1 3.66Å; W511-L578 HydrophobicContact CE3-CB 4.16Å; W511-L578 HydrophobicContact CE3-CD1 4.1Å; W511-L578 HydrophobicContact CG-CD1 3.51Å; W511-L578 HydrophobicContact CH2-CB 3.96Å; W511-L578 HydrophobicContact CZ2-CB 3.78Å; W511-L578 WeakPolarHBondContact CZ2-O 3.3Å; W511-L578 HydrophobicContact CZ3-CB 4.16Å; V531-L578 HydrophobicContact CG2-CD2 4.33Å; N562-L578 PolarHBondContact O-N 3.47Å; F564-L578 HydrophobicContact CB-CD1 4.05Å; F564-L578 HydrophobicContact CB-CD2 4.24Å; F564-L578 HydrophobicContact CB-CG 4.13Å; L578-V588 HydrophobicContact CB-CG1 4.19Å; L578-V588 HydrophobicContact CD2-CG1 4.18Å; L578-V590 HydrophobicContact CD2-CB 4.45Å; L578-V590 HydrophobicContact CD2-CG1 4.24Å; L578-V590 HydrophobicContact CD2-CG2 3.89Å |
| 579 | S | 89.9 | Confident | 84.8 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 33% | 0.329 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145 | 173.3 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | V588 I589 | S579-V588 CarbonylContact O-C 3.59Å; S579-V588 WeakPolarHBondContact O-CA 3.26Å; S579-V588 WeakPolarHBondContact O-CG1 3.46Å; S579-I589 PolarHBondContact N-O 3.39Å; S579-I589 PolarHBondContact O-N 2.92Å |
| 580 | E | 87.1 | Confident | 84.9 | Confident | 86 Ų | 86 | 44.6 Ų | 44.6 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.6 | 178.8 | -73.7 | 169.7 | -125.3 | 0 | 0 | 110.2 | W511 K512 Y514 V582 | W511-E580 HydrophobicContact CH2-CG 3.91Å; W511-E580 HydrophobicContact CZ3-CG 3.97Å; K512-E580 VanDerWaalsContact CD-OE1 3.3Å; K512-E580 WeakPolarHBondContact CD-OE1 3.41Å; K512-E580 WeakPolarHBondContact CE-OE1 3.49Å; K512-E580 IonicContact NZ-OE1 2.66Å; K512-E580 PolarHBondContact NZ-OE1 3.1Å; Y514-E580 HydrophobicContact CE2-CG 3.93Å; E580-V582 PolarHBondContact O-N 3.22Å |
| 581 | S | 82.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | trans | -72.6 | 132.1 | 179.3 | 84.9 | 0 | 0 | 0 | 0 | 111.4 | S583 S584 T587 | S581-S583 PolarHBondContact O-N 2.87Å; S581-S583 PolarHBondContact OG-OG 2.94Å; S581-S584 PolarHBondContact O-N 3.4Å; S581-S584 PolarHBondContact OG-N 3.32Å; S581-S584 PolarHBondContact OG-O 2.9Å; S581-S584 PolarHBondContact OG-OG 2.73Å; S581-S584 VanDerWaalsContact OG-OG 3.11Å; S581-T587 VanDerWaalsContact CB-O 3.31Å; S581-T587 WeakPolarHBondContact CB-O 3.3Å; S581-T587 PolarHBondContact N-O 3.35Å; S581-T587 PolarHBondContact OG-O 3.06Å; S581-T587 PolarHBondContact OG-OG1 3.13Å | ||
| 582 | V | 76 | Confident | 84.7 | Confident | 155 Ų | 155 | 48.7 Ų | 48.7 | 94% | 0.939 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25 | 178.2 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | E580 | E580-V582 PolarHBondContact O-N 3.22Š|
| 583 | S | 71.5 | Confident | 84.2 | Confident | 110 Ų | 110 | 49.2 Ų | 49.2 | 77% | 0.769 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -30.8 | 179.5 | 49 | 0 | 0 | 0 | 0 | 113.9 | S581 | S581-S583 PolarHBondContact O-N 2.87Å; S581-S583 PolarHBondContact OG-OG 2.94Å |
| 584 | S | 71.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | trans | -159.5 | 110.2 | -167.3 | 36.5 | 0 | 0 | 0 | 0 | 111.7 | S581 S586 T587 | S581-S584 PolarHBondContact O-N 3.4Å; S581-S584 PolarHBondContact OG-N 3.32Å; S581-S584 PolarHBondContact OG-O 2.9Å; S581-S584 PolarHBondContact OG-OG 2.73Å; S581-S584 VanDerWaalsContact OG-OG 3.11Å; S584-S586 PolarHBondContact O-N 2.95Å; S584-T587 PolarHBondContact O-N 3.34Å; S584-T587 PolarHBondContact O-OG1 2.9Å; S584-T587 PolarHBondContact OG-OG1 2.87Å | ||
| 585 | K | 66.8 | Low | 83.6 | Confident | 184 Ų | 184 | 53.7 Ų | 53.7 | 80% | 0.8 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -2.8 | -179.4 | -66.8 | -170 | 173.4 | -169.1 | 0 | 116 | Y514 | Y514-K585 PolarHBondContact OH-O 3.26Š|
| 586 | S | 71.5 | Confident | 83.5 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -20.6 | 177.2 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | S584 | S584-S586 PolarHBondContact O-N 2.95Š|
| 587 | T | 81 | Confident | 83.3 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 23% | 0.233 | 34% | 0.342 | C | S | . | . | trans | -114.9 | 135.2 | -170.9 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | S581 S584 | S581-T587 VanDerWaalsContact CB-O 3.31Å; S581-T587 WeakPolarHBondContact CB-O 3.3Å; S581-T587 PolarHBondContact N-O 3.35Å; S581-T587 PolarHBondContact OG-O 3.06Å; S581-T587 PolarHBondContact OG-OG1 3.13Å; S584-T587 PolarHBondContact O-N 3.34Å; S584-T587 PolarHBondContact O-OG1 2.9Å; S584-T587 PolarHBondContact OG-OG1 2.87Å | ||
| 588 | V | 88.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.3 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | W511 Y514 V531 S544 L578 S579 V590 | W511-V588 HydrophobicContact CE3-CG1 4.3Å; W511-V588 HydrophobicContact CE3-CG2 4.32Å; W511-V588 HydrophobicContact CH2-CG1 4.4Å; W511-V588 HydrophobicContact CZ3-CB 4.49Å; W511-V588 HydrophobicContact CZ3-CG1 3.74Å; W511-V588 HydrophobicContact CZ3-CG2 3.88Å; Y514-V588 HydrophobicContact CD1-CG2 3.42Å; Y514-V588 VanDerWaalsContact CD1-CG2 3.42Å; Y514-V588 HydrophobicContact CD2-CG2 3.85Å; Y514-V588 HydrophobicContact CE1-CG2 3.46Å; Y514-V588 VanDerWaalsContact CE1-CG2 3.46Å; Y514-V588 HydrophobicContact CE2-CG2 3.88Å; Y514-V588 HydrophobicContact CG-CG2 3.63Å; V531-V588 HydrophobicContact CB-CB 4.49Å; V531-V588 HydrophobicContact CG1-CB 4.04Å; V531-V588 HydrophobicContact CG1-CG1 4.45Å; V531-V588 HydrophobicContact CG1-CG2 3.82Å; S544-V588 WeakPolarHBondContact CB-O 3.45Å; S544-V588 PolarHBondContact OG-O 2.95Å; L578-V588 HydrophobicContact CB-CG1 4.19Å; L578-V588 HydrophobicContact CD2-CG1 4.18Å; S579-V588 CarbonylContact O-C 3.59Å; S579-V588 WeakPolarHBondContact O-CA 3.26Å; S579-V588 WeakPolarHBondContact O-CG1 3.46Å; V588-V590 HydrophobicContact CG1-CG2 4.34Å; V588-V590 PolarHBondContact O-N 3.26Å |
| 589 | I | 88.8 | Confident | 83 | Confident | 92 Ų | 92 | 61.3 Ų | 61.3 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.8 | 167.2 | -63.3 | 160.4 | 0 | 0 | 0 | 107.1 | S579 | S579-I589 PolarHBondContact N-O 3.39Å; S579-I589 PolarHBondContact O-N 2.92Å |
| 590 | V | 90.8 | Very high | 82.6 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.1 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 107.3 | V529 V531 C546 F576 G577 L578 V588 | V529-V590 HydrophobicContact CG1-CG1 4.33Å; V531-V590 HydrophobicContact CB-CG2 4.42Å; V531-V590 HydrophobicContact CG2-CG2 3.7Å; C546-V590 HydrophobicContact CB-CB 4.22Å; C546-V590 HydrophobicContact CB-CG1 3.89Å; F576-V590 HydrophobicContact CB-CG1 4.08Å; F576-V590 HydrophobicContact CD1-CG1 4.07Å; F576-V590 HydrophobicContact CG-CG1 4.36Å; G577-V590 WeakPolarHBondContact O-CA 3.35Å; L578-V590 HydrophobicContact CD2-CB 4.45Å; L578-V590 HydrophobicContact CD2-CG1 4.24Å; L578-V590 HydrophobicContact CD2-CG2 3.89Å; V588-V590 HydrophobicContact CG1-CG2 4.34Å; V588-V590 PolarHBondContact O-N 3.26Å |
| 591 | S | 88.3 | Confident | 82.5 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.6 | 179.1 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | F576 G577 F593 | F576-S591 CarbonylContact C-O 3.46Å; F576-S591 WeakPolarHBondContact CA-O 3.41Å; G577-S591 PolarHBondContact N-O 3.18Å; G577-S591 PolarHBondContact O-N 2.84Å; S591-F593 PolarHBondContact O-N 3.09Å |
| 592 | P | 85 | Confident | 82.6 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 64% | 0.643 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 122.8 | 171.9 | 27 | -33.1 | 0 | 0 | 0 | 109.4 | F576 | F576-P592 HydrophobicContact CD1-CB 4.09Å; F576-P592 HydrophobicContact CE1-CB 3.96Å |
| 593 | F | 81.3 | Confident | 83 | Confident | 37 Ų | 37 | 60.7 Ų | 60.7 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -48.5 | -173.8 | 177 | -88.4 | 0 | 0 | 0 | 111.8 | I575 S591 N677 L681 | I575-F593 HydrophobicContact CG2-CB 4.48Å; I575-F593 HydrophobicContact CG2-CD1 4.21Å; I575-F593 WeakPolarHBondContact O-CA 3.32Å; I575-F593 WeakPolarHBondContact O-CB 3.34Å; I575-F593 PolarHBondContact O-N 3.23Å; S591-F593 PolarHBondContact O-N 3.09Å; F593-N677 HydrophobicContact CE2-CB 4.44Å; F593-L681 HydrophobicContact CE1-CB 4.32Å; F593-L681 HydrophobicContact CE1-CD1 3.51Å; F593-L681 HydrophobicContact CZ-CD1 3.92Å |
| 594 | K | 84.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 141.3 | -179.1 | -176.6 | 64 | -179.9 | -177.5 | 0 | 111.3 | I575 V596 Q678 L681 | I575-K594 HydrophobicContact CB-CB 4.42Å; I575-K594 WeakPolarHBondContact CB-O 3.49Å; I575-K594 PolarHBondContact N-O 3.25Å; I575-K594 PolarHBondContact O-N 3.41Å; K594-V596 HydrophobicContact CG-CG2 3.96Å; K594-Q678 WeakPolarHBondContact CE-O 3.31Å; K594-Q678 PolarHBondContact NZ-O 2.82Å; K594-L681 WeakPolarHBondContact CE-O 3.44Å |
| 595 | A | 87.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L573 | L573-A595 CarbonylContact O-C 3.44Å; L573-A595 WeakPolarHBondContact O-CA 3.47Å |
| 596 | V | 87.9 | Confident | 85.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 116.3 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | L573 I575 K594 L598 F683 | L573-V596 HydrophobicContact CB-CB 4.36Å; L573-V596 PolarHBondContact N-O 3.22Å; L573-V596 PolarHBondContact O-N 2.71Å; I575-V596 HydrophobicContact CD1-CG2 4.23Å; K594-V596 HydrophobicContact CG-CG2 3.96Å; V596-L598 HydrophobicContact CG1-CD2 3.93Å; V596-L598 HydrophobicContact CG1-CG 4.48Å; V596-F683 HydrophobicContact CG1-CD2 3.98Å; V596-F683 HydrophobicContact CG2-CD2 4.06Å; V596-F683 HydrophobicContact CG2-CE2 4.07Å |
| 597 | N | 88.5 | Confident | 86.6 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.6 | 174 | -174.8 | 17.6 | 0 | 0 | 0 | 110.1 | T599 | N597-T599 PolarHBondContact ND2-OG1 2.84Å; N597-T599 VanDerWaalsContact OD1-CG2 3.25Å; N597-T599 WeakPolarHBondContact OD1-CG2 3.28Å; N597-T599 PolarHBondContact OD1-N 2.89Å; N597-T599 PolarHBondContact OD1-OG1 2.85Å |
| 598 | L | 89.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | trans | -120.4 | 10.1 | 175.8 | -54.9 | 172.9 | 0 | 0 | 0 | 112.9 | L567 G571 L573 V596 D600 I601 V602 I611 L646 L657 | L567-L598 HydrophobicContact CD1-CD1 4.39Å; G571-L598 WeakPolarHBondContact O-CA 3.46Å; G571-L598 VanDerWaalsContact O-CB 3.32Å; G571-L598 WeakPolarHBondContact O-CB 3.44Å; G571-L598 PolarHBondContact O-N 2.8Å; L573-L598 HydrophobicContact CB-CD1 3.9Å; L573-L598 HydrophobicContact CB-CG 4.46Å; V596-L598 HydrophobicContact CG1-CD2 3.93Å; V596-L598 HydrophobicContact CG1-CG 4.48Å; L598-D600 PolarHBondContact O-N 2.95Å; L598-I601 PolarHBondContact O-N 3.45Å; L598-V602 HydrophobicContact CB-CB 4.45Å; L598-V602 HydrophobicContact CB-CG2 3.96Å; L598-V602 PolarHBondContact O-N 3.22Å; L598-I611 HydrophobicContact CD1-CD1 3.83Å; L598-L646 HydrophobicContact CD1-CD2 4.34Å; L598-L646 HydrophobicContact CD2-CD2 4.17Å; L598-L657 HydrophobicContact CD2-CD2 4.04Å | ||
| 599 | T | 86.1 | Confident | 87.4 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 37% | 0.368 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -32.5 | -179.3 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | D570 N597 I601 | D570-T599 WeakPolarHBondContact O-CG2 3.5Å; N597-T599 PolarHBondContact ND2-OG1 2.84Å; N597-T599 VanDerWaalsContact OD1-CG2 3.25Å; N597-T599 WeakPolarHBondContact OD1-CG2 3.28Å; N597-T599 PolarHBondContact OD1-N 2.89Å; N597-T599 PolarHBondContact OD1-OG1 2.85Å; T599-I601 PolarHBondContact O-N 3.29Å |
| 600 | D | 82.3 | Confident | 87.5 | Confident | 150 Ų | 150 | 45.2 Ų | 45.2 | 80% | 0.802 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.9 | -175 | -53.2 | -2.7 | 0 | 0 | 0 | 112.3 | L598 | L598-D600 PolarHBondContact O-N 2.95Š|
| 601 | I | 84.4 | Confident | 87.6 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -45.7 | 179.6 | -47.7 | 169.4 | 0 | 0 | 0 | 109.7 | L598 T599 I603 M648 F655 L657 P686 | L598-I601 PolarHBondContact O-N 3.45Å; T599-I601 PolarHBondContact O-N 3.29Å; I601-I603 PolarHBondContact O-N 3.2Å; I601-M648 HydrophobicContact CB-CE 4.49Å; I601-M648 HydrophobicContact CG2-CE 3.69Å; I601-M648 HydrophobicContact CG2-SD 4.33Å; I601-F655 HydrophobicContact CG2-CD2 4.45Å; I601-F655 HydrophobicContact CG2-CG 4.47Å; I601-L657 HydrophobicContact CD1-CD1 4.42Å; I601-L657 HydrophobicContact CD1-CD2 3.81Å; I601-L657 HydrophobicContact CD1-CG 4.33Å; I601-P686 HydrophobicContact CD1-CB 3.83Å; I601-P686 HydrophobicContact CD1-CG 3.78Å; I601-P686 HydrophobicContact CG1-CG 4.07Å |
| 602 | V | 85.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | trans | -94.7 | 81.1 | -176.3 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | L598 F604 P605 V608 M648 Y650 | L598-V602 HydrophobicContact CB-CB 4.45Å; L598-V602 HydrophobicContact CB-CG2 3.96Å; L598-V602 PolarHBondContact O-N 3.22Å; V602-F604 VanDerWaalsContact C-N 3.28Å; V602-F604 PolarHBondContact O-N 3Å; V602-P605 HydrophobicContact CG1-CB 4.15Å; V602-P605 HydrophobicContact CG1-CG 3.92Å; V602-V608 HydrophobicContact CG1-CG2 3.67Å; V602-V608 HydrophobicContact CG2-CG2 4.17Å; V602-M648 HydrophobicContact CG2-CE 3.54Å; V602-M648 HydrophobicContact CG2-SD 4.34Å; V602-Y650 HydrophobicContact CG1-CD2 4.27Å; V602-Y650 HydrophobicContact CG1-CE2 4.09Å | ||
| 603 | I | 84.1 | Confident | 87.9 | Confident | 103 Ų | 103 | 37.1 Ų | 37.1 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -62.7 | -38.5 | 176 | -52.1 | 172 | 0 | 0 | 0 | 110.6 | I601 Y650 | I601-I603 PolarHBondContact O-N 3.2Å; I603-Y650 PolarHBondContact N-OH 2.99Å |
| 604 | F | 88.4 | Confident | 88.1 | Confident | 66 Ų | 66 | 35.4 Ų | 35.4 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | trans | -129.5 | 98.9 | 179.8 | -62.3 | -73.1 | 0 | 0 | 0 | 111 | P191 T192 V602 A606 C607 Y650 | P191-F604 WeakPolarHBondContact O-CZ 3.21Å; T192-F604 HydrophobicContact CG2-CB 4.28Å; T192-F604 HydrophobicContact CG2-CD1 4.39Å; T192-F604 HydrophobicContact CG2-CD2 4.41Å; T192-F604 HydrophobicContact CG2-CG 4.12Å; T192-F604 VanDerWaalsContact O-CE2 3.31Å; T192-F604 WeakPolarHBondContact O-CE2 3.4Å; V602-F604 VanDerWaalsContact C-N 3.28Å; V602-F604 PolarHBondContact O-N 3Å; F604-A606 PolarHBondContact O-N 3.39Å; F604-C607 HydrophobicContact CB-CB 4.41Å; F604-C607 WeakPolarHBondContact O-CB 3.42Å; F604-C607 PolarHBondContact O-N 3.34Å; F604-Y650 PolarHBondContact N-OH 2.9Å; F604-Y650 WeakPolarHBondContact O-CE2 3.15Å | ||
| 605 | P | 89.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -55.3 | -28.7 | -177.9 | -31.3 | 38.2 | 0 | 0 | 0 | 115.4 | V555 V602 C607 V608 | V555-P605 HydrophobicContact CG2-CB 4.35Å; V602-P605 HydrophobicContact CG1-CB 4.15Å; V602-P605 HydrophobicContact CG1-CG 3.92Å; P605-C607 PolarHBondContact O-N 3.25Å; P605-V608 WeakPolarHBondContact O-CB 3.4Å; P605-V608 PolarHBondContact O-N 3.4Å |
| 606 | A | 86.9 | Confident | 87.5 | Confident | 72 Ų | 72 | 31.8 Ų | 31.8 | 60% | 0.595 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -63.5 | -20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F604 V608 | F604-A606 PolarHBondContact O-N 3.39Å; A606-V608 VanDerWaalsContact C-N 3.31Å |
| 607 | C | 91.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -83.4 | -4.8 | 174.7 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | T192 N238 R239 F604 P605 V609 Y650 A651 | T192-C607 VanDerWaalsContact CG2-SG 3.58Å; N238-C607 PolarHBondContact O-SG 2.95Å; N238-C607 VanDerWaalsContact O-SG 3.4Å; R239-C607 WeakPolarHBondContact O-CB 3.32Å; F604-C607 HydrophobicContact CB-CB 4.41Å; F604-C607 WeakPolarHBondContact O-CB 3.42Å; F604-C607 PolarHBondContact O-N 3.34Å; P605-C607 PolarHBondContact O-N 3.25Å; C607-V609 PolarHBondContact O-N 3.36Å; C607-Y650 HydrophobicContact CB-CD2 3.97Å; C607-Y650 HydrophobicContact CB-CE2 3.66Å; C607-A651 HydrophobicContact CB-CB 4.43Å; C607-A651 PolarHBondContact O-N 3.32Å |
| 608 | V | 92.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.6 | 169.9 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | R239 I556 L567 V602 P605 A606 Y650 | R239-V608 PolarHBondContact NH2-O 3.46Å; I556-V608 HydrophobicContact CD1-CB 4.34Å; I556-V608 HydrophobicContact CD1-CG1 4.06Å; I556-V608 VanDerWaalsContact CD1-O 3.31Å; I556-V608 WeakPolarHBondContact CD1-O 3.44Å; L567-V608 HydrophobicContact CD2-CB 3.75Å; L567-V608 HydrophobicContact CD2-CG1 3.88Å; L567-V608 HydrophobicContact CD2-CG2 3.65Å; V602-V608 HydrophobicContact CG1-CG2 3.67Å; V602-V608 HydrophobicContact CG2-CG2 4.17Å; P605-V608 WeakPolarHBondContact O-CB 3.4Å; P605-V608 PolarHBondContact O-N 3.4Å; A606-V608 VanDerWaalsContact C-N 3.31Å; V608-Y650 HydrophobicContact CG2-CD2 3.96Å |
| 609 | V | 91.8 | Very high | 84.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -41.3 | -177.5 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | F240 Y297 C607 N649 | F240-V609 HydrophobicContact CD1-CG2 4.31Å; F240-V609 HydrophobicContact CE1-CG1 4.41Å; F240-V609 HydrophobicContact CE1-CG2 3.68Å; F240-V609 HydrophobicContact CZ-CG1 4.27Å; F240-V609 HydrophobicContact CZ-CG2 3.84Å; Y297-V609 WeakPolarHBondContact OH-CG1 3.38Å; C607-V609 PolarHBondContact O-N 3.36Å; V609-N649 HydrophobicContact CB-CB 4.07Å; V609-N649 PolarHBondContact N-O 2.83Å |
| 610 | R | 92.1 | Very high | 82.9 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151.6 | 174.4 | -175.9 | 165.6 | -172.1 | -158 | -5 | 110.9 | P414 S416 H419 D558 M648 N649 L696 | P414-R610 HydrophobicContact CB-CB 4.26Å; P414-R610 HydrophobicContact CB-CG 4.19Å; P414-R610 PolarHBondContact O-NE 2.96Å; S416-R610 PolarHBondContact OG-NH2 3.19Å; H419-R610 VanDerWaalsContact CD2-CZ 3.46Å; H419-R610 PolarHBondContact CD2-NH1 3.24Å; H419-R610 PolarHBondContact NE2-NH1 2.69Å; D558-R610 IonicContact OD2-CZ 3.76Å; D558-R610 IonicContact OD2-NE 3.59Å; D558-R610 PolarHBondContact OD2-NE 2.94Å; D558-R610 IonicContact OD2-NH2 2.98Å; D558-R610 PolarHBondContact OD2-NH2 3.13Å; R610-M648 CarbonylContact O-C 3.5Å; R610-M648 WeakPolarHBondContact O-CA 3.17Å; R610-N649 PolarHBondContact N-O 3.45Å; R610-N649 PolarHBondContact O-N 3.24Å; R610-L696 HydrophobicContact CB-CD2 4.47Å; R610-L696 HydrophobicContact CG-CD2 4.47Å; R610-L696 PolarHBondContact NH1-O 3.19Å |
| 611 | I | 92.4 | Very high | 81 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.2 | 169.3 | -168.3 | 158.7 | 0 | 0 | 0 | 109.7 | I556 D558 L573 L598 L646 M648 | I556-I611 HydrophobicContact CG2-CG2 3.97Å; D558-I611 WeakPolarHBondContact CB-O 3.33Å; L573-I611 HydrophobicContact CD1-CD1 4.24Å; L573-I611 HydrophobicContact CD2-CD1 4.01Å; L598-I611 HydrophobicContact CD1-CD1 3.83Å; I611-L646 HydrophobicContact CD1-CD1 4.16Å; I611-L646 HydrophobicContact CD1-CD2 4.49Å; I611-L646 HydrophobicContact CG1-CD1 3.75Å; I611-M648 HydrophobicContact CD1-CB 4.37Å; I611-M648 HydrophobicContact CG1-CB 4.2Å |
| 612 | C | 91.3 | Very high | 79 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 144.3 | -179.8 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | D558 V647 | D558-C612 WeakPolarHBondContact OD2-CB 3.23Å; C612-V647 PolarHBondContact N-O 3.19Å; C612-V647 PolarHBondContact O-N 3.29Å |
| 613 | L | 88.6 | Confident | 76.5 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 151.4 | 169.2 | -71.6 | 177 | 0 | 0 | 0 | 110.6 | F560 L563 L565 I643 L646 F683 | F560-L613 HydrophobicContact CB-CB 3.94Å; F560-L613 HydrophobicContact CB-CD1 4.5Å; F560-L613 HydrophobicContact CD1-CB 4.11Å; F560-L613 HydrophobicContact CD2-CB 4.13Å; F560-L613 WeakPolarHBondContact CD2-O 3.46Å; F560-L613 WeakPolarHBondContact CE2-O 3.14Å; F560-L613 HydrophobicContact CG-CB 3.78Å; L563-L613 HydrophobicContact CD1-CD1 3.67Å; L565-L613 HydrophobicContact CD1-CB 4.36Å; L565-L613 HydrophobicContact CD1-CD1 4.2Å; L565-L613 HydrophobicContact CD1-CG 3.88Å; L565-L613 HydrophobicContact CD2-CD1 3.74Å; L565-L613 HydrophobicContact CD2-CG 4.19Å; L613-I643 HydrophobicContact CB-CG2 4.41Å; L613-I643 HydrophobicContact CD1-CD1 4.32Å; L613-I643 HydrophobicContact CD1-CG2 4.24Å; L613-I643 HydrophobicContact CD2-CG2 3.95Å; L613-I643 HydrophobicContact CG-CG2 4.44Å; L613-L646 HydrophobicContact CD2-CB 4.07Å; L613-L646 HydrophobicContact CD2-CD1 3.78Å; L613-L646 HydrophobicContact CG-CD1 4.42Å; L613-F683 HydrophobicContact CD2-CE1 4.45Å; L613-F683 HydrophobicContact CD2-CZ 3.76Å |
| 614 | T | 85.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 161 | -176.8 | 86 | 0 | 0 | 0 | 0 | 113.5 | L616 E644 S645 V647 S698 S700 | T614-L616 HydrophobicContact CG2-CD1 4.24Å; T614-L616 HydrophobicContact CG2-CG 4.49Å; T614-L616 VanDerWaalsContact OG1-CB 3.28Å; T614-L616 WeakPolarHBondContact OG1-CB 3.46Å; T614-L616 WeakPolarHBondContact OG1-CG 3.14Å; T614-L616 PolarHBondContact OG1-N 2.75Å; T614-L616 VanDerWaalsContact OG1-N 3.09Å; T614-E644 PolarHBondContact O-N 3.06Å; T614-S645 PolarHBondContact N-O 2.87Å; T614-S645 PolarHBondContact O-N 2.84Å; T614-S645 PolarHBondContact OG1-OG 2.78Å; T614-V647 HydrophobicContact CG2-CB 4.23Å; T614-V647 HydrophobicContact CG2-CG2 3.71Å; T614-S698 VanDerWaalsContact CG2-OG 3.31Å; T614-S698 WeakPolarHBondContact CG2-OG 3.45Å; T614-S700 WeakPolarHBondContact CA-OG 3.31Å; T614-S700 VanDerWaalsContact CB-OG 3.23Å; T614-S700 WeakPolarHBondContact CB-OG 3.42Å |
| 615 | T | 80.8 | Confident | 71.4 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.233 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.2 | -2.1 | 168.1 | 60.1 | 0 | 0 | 0 | 0 | 113 | F560 K617 S642 S700 D728 | F560-T615 HydrophobicContact CZ-CG2 4.26Å; T615-K617 PolarHBondContact O-N 2.78Å; T615-S642 WeakPolarHBondContact CA-O 3.45Å; T615-S642 WeakPolarHBondContact CG2-O 3.46Å; T615-S700 WeakPolarHBondContact OG1-CB 3.09Å; T615-D728 PolarHBondContact OG1-OD1 2.97Å |
| 616 | L | 77.8 | Confident | 68.8 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 126.1 | -167.4 | -52.6 | 174.8 | 0 | 0 | 0 | 110.8 | T614 S645 M656 D728 L730 | T614-L616 HydrophobicContact CG2-CD1 4.24Å; T614-L616 HydrophobicContact CG2-CG 4.49Å; T614-L616 VanDerWaalsContact OG1-CB 3.28Å; T614-L616 WeakPolarHBondContact OG1-CB 3.46Å; T614-L616 WeakPolarHBondContact OG1-CG 3.14Å; T614-L616 PolarHBondContact OG1-N 2.75Å; T614-L616 VanDerWaalsContact OG1-N 3.09Å; L616-S645 WeakPolarHBondContact O-CB 3.48Å; L616-S645 PolarHBondContact O-OG 3.28Å; L616-M656 HydrophobicContact CB-CE 3.88Å; L616-M656 WeakPolarHBondContact O-CE 3.38Å; L616-D728 VanDerWaalsContact CD2-CA 3.46Å; L616-D728 HydrophobicContact CD2-CB 3.87Å; L616-D728 VanDerWaalsContact CD2-O 3.3Å; L616-D728 WeakPolarHBondContact CD2-O 3.29Å; L616-L730 HydrophobicContact CD1-CB 4.23Å; L616-L730 HydrophobicContact CD1-CD1 3.81Å |
| 617 | K | 73.4 | Confident | 66.1 | Low | 70 Ų | 70 | 54.5 Ų | 54.5 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 132.8 | 165.7 | -67.5 | 175.5 | 178.5 | 174.1 | 0 | 110.2 | T615 E644 R785 | T615-K617 PolarHBondContact O-N 2.78Å; K617-E644 WeakPolarHBondContact CE-OE1 3.43Å; K617-E644 WeakPolarHBondContact CE-OE2 3.34Å; K617-E644 HydrophobicContact CG-CB 4.05Å; K617-E644 HydrophobicContact CG-CG 4.22Å; K617-E644 IonicContact NZ-OE1 3.14Å; K617-E644 PolarHBondContact NZ-OE1 2.92Å; K617-E644 IonicContact NZ-OE2 3.11Å; K617-R785 PolarHBondContact O-NE 3.38Å |
| 618 | S | 70 | Confident | 63.2 | Low | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 172 | 166.4 | 73 | 0 | 0 | 0 | 0 | 111.4 | A620 Q658 | S618-A620 PolarHBondContact O-N 3.08Å; S618-A620 PolarHBondContact OG-N 3.43Å; S618-Q658 PolarHBondContact OG-OE1 2.91Å |
| 619 | N | 61.4 | Low | 60.3 | Low | 85 Ų | 85 | 63 Ų | 63 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -68.4 | -7.4 | 178.6 | -64.8 | -3.9 | 0 | 0 | 0 | 113.9 | S621 R785 | N619-S621 PolarHBondContact O-N 3.23Å; N619-R785 PolarHBondContact ND2-O 3.48Å; N619-R785 VanDerWaalsContact OD1-CB 3.24Å; N619-R785 WeakPolarHBondContact OD1-CB 3.49Å; N619-R785 WeakPolarHBondContact OD1-CG 3.17Å; N619-R785 PolarHBondContact OD1-N 3.01Å |
| 620 | A | 50.9 | Low | 57.4 | Low | 60 Ų | 60 | 69.1 Ų | 69.1 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | trans | -89.9 | 79.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S618 F622 | S618-A620 PolarHBondContact O-N 3.08Å; S618-A620 PolarHBondContact OG-N 3.43Å; A620-F622 PolarHBondContact O-N 3.31Å; A620-F622 VanDerWaalsContact O-N 3.14Å | ||
| 621 | S | 42.3 | Very low | 54.5 | Low | 64 Ų | 64 | 75 Ų | 75 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | trans | -74.1 | 100.3 | 170.6 | 41.4 | 0 | 0 | 0 | 0 | 111 | N619 T623 D782 | N619-S621 PolarHBondContact O-N 3.23Å; S621-T623 PolarHBondContact O-N 3.18Å; S621-D782 WeakPolarHBondContact CB-OD2 3.44Å; S621-D782 PolarHBondContact OG-OD2 3.47Å | ||
| 622 | F | 42.1 | Very low | 51.9 | Low | 201 Ų | 201 | 82 Ų | 82 | 88% | 0.882 | 48% | 0.475 | S | S | * | . | trans | -58.5 | 128.1 | 158.9 | -88.3 | -92.1 | 0 | 0 | 0 | 108.8 | A620 R624 | A620-F622 PolarHBondContact O-N 3.31Å; A620-F622 VanDerWaalsContact O-N 3.14Å; F622-R624 PolarHBondContact O-N 3.06Å | ||
| 623 | T | 33.2 | Very low | 49.3 | Very low | 126 Ų | 126 | 88.1 Ų | 88.1 | 77% | 0.773 | 50% | 0.501 | S | S | * | . | trans | -62.8 | 110.6 | -173.5 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | S621 T625 | S621-T623 PolarHBondContact O-N 3.18Å; T623-T625 PolarHBondContact O-N 3.13Å | ||
| 624 | R | 37.6 | Very low | 46.8 | Very low | 141 Ų | 141 | 98.3 Ų | 98.3 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | trans | -72.1 | 92.7 | -176.8 | -145.3 | -178.9 | -166.1 | -177.5 | 2.7 | 110.3 | F622 T626 N780 | F622-R624 PolarHBondContact O-N 3.06Å; R624-T626 HydrophobicContact CB-CG2 4.34Å; R624-T626 HydrophobicContact CG-CG2 3.9Å; R624-T626 PolarHBondContact O-N 3.46Å; R624-N780 PolarHBondContact NH1-OD1 3.12Å | ||
| 625 | T | 27.3 | Very low | 44.4 | Very low | 95 Ų | 95 | 105.8 Ų | 105.8 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | trans | -73.4 | 68.9 | 174.3 | 34 | 0 | 0 | 0 | 0 | 111.5 | T623 T627 D663 | T623-T625 PolarHBondContact O-N 3.13Å; T625-T627 PolarHBondContact O-N 3.27Å; T625-D663 PolarHBondContact OG1-OD2 3.23Å | ||
| 626 | T | 34.5 | Very low | 42.3 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 68% | 0.681 | 59% | 0.587 | S | S | * | * | trans | -67.9 | 87.3 | -177.1 | 53 | 0 | 0 | 0 | 0 | 112.1 | R624 | R624-T626 HydrophobicContact CB-CG2 4.34Å; R624-T626 HydrophobicContact CG-CG2 3.9Å; R624-T626 PolarHBondContact O-N 3.46Å | ||
| 627 | T | 30.5 | Very low | 40.8 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 76% | 0.755 | 61% | 0.609 | S | S | * | * | trans | -71.9 | 148.9 | 156.8 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | T625 G629 | T625-T627 PolarHBondContact O-N 3.27Å; T627-G629 PolarHBondContact O-N 3.3Å | ||
| 628 | S | 30.2 | Very low | 39.3 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 92% | 0.916 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -73.7 | 80.9 | -161.3 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 629 | G | 31.9 | Very low | 38.3 | Very low | 49 Ų | 49 | 114.1 Ų | 114.1 | 51% | 0.505 | 63% | 0.632 | S | S | . | * | trans | -111.6 | 17.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | T627 N631 | T627-G629 PolarHBondContact O-N 3.3Å; G629-N631 VanDerWaalsContact C-N 3.26Å; G629-N631 PolarHBondContact O-N 3.37Å | ||
| 630 | T | 30.8 | Very low | 37.9 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 81% | 0.81 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 48.1 | -165.6 | 45.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 631 | N | 31.9 | Very low | 38 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | -10.2 | 174.9 | -88.9 | -54.4 | 0 | 0 | 0 | 116.8 | G629 | G629-N631 VanDerWaalsContact C-N 3.26Å; G629-N631 PolarHBondContact O-N 3.37Å |
| 632 | L | 37.7 | Very low | 39 | Very low | 148 Ų | 148 | 111.8 Ų | 111.8 | 78% | 0.775 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -85.3 | -16.9 | -174.1 | -74 | 168.3 | 0 | 0 | 0 | 115.5 | R634 | L632-R634 PolarHBondContact O-N 3.5Š|
| 633 | F | 37.8 | Very low | 40.4 | Very low | 130 Ų | 130 | 102.2 Ų | 102.2 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -89.5 | 5 | -171.1 | -66 | -75.2 | 0 | 0 | 0 | 115.8 | N635 L680 | F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 2.87Å; F633-L680 HydrophobicContact CE1-CD2 4.38Å |
| 634 | R | 34.9 | Very low | 42.5 | Very low | 215 Ų | 215 | 97.2 Ų | 97.2 | 81% | 0.811 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -72.3 | -9.5 | -173.5 | -87.6 | -170.9 | 176.5 | -172.3 | 1.5 | 116.3 | L632 | L632-R634 PolarHBondContact O-N 3.5Š|
| 635 | N | 34.5 | Very low | 44.8 | Very low | 157 Ų | 157 | 90.5 Ų | 90.5 | 84% | 0.84 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -108.3 | 10.8 | -171.7 | -68.2 | 6.2 | 0 | 0 | 0 | 114.3 | F633 | F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 2.87Å |
| 636 | F | 38 | Very low | 47.9 | Very low | 87 Ų | 87 | 86 Ų | 86 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -113.8 | 149.2 | -178.5 | -61.9 | -84.7 | 0 | 0 | 0 | 111.2 | N677 | F636-N677 WeakPolarHBondContact CE1-OD1 3.39Š|
| 637 | D | 45.1 | Very low | 50.6 | Low | 85 Ų | 85 | 80.7 Ų | 80.7 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | trans | -60.6 | 135.6 | 176.2 | -78.1 | -47.4 | 0 | 0 | 0 | 111.1 | G639 F640 | D637-G639 PolarHBondContact O-N 2.99Å; D637-F640 HydrophobicContact CB-CD2 3.85Å; D637-F640 HydrophobicContact CB-CE2 3.69Å; D637-F640 PolarHBondContact O-N 2.8Å; D637-F640 VanDerWaalsContact O-N 3.16Å | ||
| 638 | P | 43.2 | Very low | 53.6 | Low | 102 Ų | 102 | 74.9 Ų | 74.9 | 66% | 0.662 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -62.5 | -20.4 | -172.2 | 23 | -33.5 | 0 | 0 | 0 | 114.1 | F640 C641 | P638-F640 VanDerWaalsContact C-N 3.31Å; P638-F640 PolarHBondContact O-N 2.69Å; P638-C641 PolarHBondContact O-N 3.11Å |
| 639 | G | 49.2 | Very low | 56.6 | Low | 25 Ų | 25 | 68.7 Ų | 68.7 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -70.1 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D637 S642 | D637-G639 PolarHBondContact O-N 2.99Å; G639-S642 PolarHBondContact O-OG 3.03Å |
| 640 | F | 52.8 | Low | 59.6 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -83.4 | -21.7 | 178.1 | -57.8 | -52.2 | 0 | 0 | 0 | 113.1 | L563 D637 P638 R659 | L563-F640 HydrophobicContact CD2-CD1 4.34Å; L563-F640 HydrophobicContact CD2-CE1 3.71Å; L563-F640 HydrophobicContact CG-CE1 4.18Å; D637-F640 HydrophobicContact CB-CD2 3.85Å; D637-F640 HydrophobicContact CB-CE2 3.69Å; D637-F640 PolarHBondContact O-N 2.8Å; D637-F640 VanDerWaalsContact O-N 3.16Å; P638-F640 VanDerWaalsContact C-N 3.31Å; P638-F640 PolarHBondContact O-N 2.69Å; F640-R659 PolarHBondContact O-NH1 2.89Å |
| 641 | C | 51.8 | Low | 62.5 | Low | 73 Ų | 73 | 60.2 Ų | 60.2 | 49% | 0.493 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -82.9 | -14.4 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | P638 | P638-C641 PolarHBondContact O-N 3.11Š|
| 642 | S | 63.5 | Low | 65.3 | Low | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.5 | -8.3 | -179.8 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | T615 G639 E644 | T615-S642 WeakPolarHBondContact CA-O 3.45Å; T615-S642 WeakPolarHBondContact CG2-O 3.46Å; G639-S642 PolarHBondContact O-OG 3.03Å; S642-E644 PolarHBondContact O-N 2.75Å |
| 643 | I | 72.4 | Confident | 68 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -78.9 | 118.4 | 179 | -56 | 156.5 | 0 | 0 | 0 | 108.9 | F560 L563 L613 R659 L681 | F560-I643 HydrophobicContact CD1-CG1 3.96Å; F560-I643 HydrophobicContact CE1-CG1 3.6Å; L563-I643 HydrophobicContact CD1-CD1 3.45Å; L563-I643 VanDerWaalsContact CD1-CD1 3.45Å; L613-I643 HydrophobicContact CB-CG2 4.41Å; L613-I643 HydrophobicContact CD1-CD1 4.32Å; L613-I643 HydrophobicContact CD1-CG2 4.24Å; L613-I643 HydrophobicContact CD2-CG2 3.95Å; L613-I643 HydrophobicContact CG-CG2 4.44Å; I643-R659 WeakPolarHBondContact O-CD 3.42Å; I643-R659 PolarHBondContact O-NH1 3.45Å; I643-L681 HydrophobicContact CB-CD2 4.49Å; I643-L681 HydrophobicContact CD1-CD1 4.28Å; I643-L681 HydrophobicContact CG2-CD2 3.91Å | ||
| 644 | E | 76.9 | Confident | 70.6 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 22% | 0.22 | C | C | . | . | trans | -121.8 | -20.5 | -175.6 | -64.2 | -79.2 | -159.8 | 0 | 0 | 112.6 | T614 K617 S642 R659 Y661 | T614-E644 PolarHBondContact O-N 3.06Å; K617-E644 WeakPolarHBondContact CE-OE1 3.43Å; K617-E644 WeakPolarHBondContact CE-OE2 3.34Å; K617-E644 HydrophobicContact CG-CB 4.05Å; K617-E644 HydrophobicContact CG-CG 4.22Å; K617-E644 IonicContact NZ-OE1 3.14Å; K617-E644 PolarHBondContact NZ-OE1 2.92Å; K617-E644 IonicContact NZ-OE2 3.11Å; S642-E644 PolarHBondContact O-N 2.75Å; E644-R659 VanDerWaalsContact O-CB 3.31Å; E644-R659 WeakPolarHBondContact O-CB 3.3Å; E644-R659 PolarHBondContact O-N 2.56Å; E644-Y661 VanDerWaalsContact CD-OH 3.23Å; E644-Y661 WeakPolarHBondContact OE2-CE2 3.38Å; E644-Y661 PolarHBondContact OE2-OH 2.89Å | ||
| 645 | S | 86.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 161 | 172.1 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | T614 L616 M656 L657 | T614-S645 PolarHBondContact N-O 2.87Å; T614-S645 PolarHBondContact O-N 2.84Å; T614-S645 PolarHBondContact OG1-OG 2.78Å; L616-S645 WeakPolarHBondContact O-CB 3.48Å; L616-S645 PolarHBondContact O-OG 3.28Å; S645-M656 VanDerWaalsContact OG-CE 3.24Å; S645-M656 WeakPolarHBondContact OG-CE 3Å; S645-L657 CarbonylContact C-O 3.6Å; S645-L657 VanDerWaalsContact CA-O 3.22Å; S645-L657 WeakPolarHBondContact CA-O 3.43Å; S645-L657 WeakPolarHBondContact CB-O 3.35Å |
| 646 | L | 90.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.5 | 167.4 | 175.3 | 66.8 | 0 | 0 | 0 | 108.3 | L573 L598 I611 L613 M656 L657 F683 | L573-L646 HydrophobicContact CD2-CD1 3.7Å; L573-L646 HydrophobicContact CD2-CD2 3.73Å; L573-L646 HydrophobicContact CD2-CG 4.4Å; L598-L646 HydrophobicContact CD1-CD2 4.34Å; L598-L646 HydrophobicContact CD2-CD2 4.17Å; I611-L646 HydrophobicContact CD1-CD1 4.16Å; I611-L646 HydrophobicContact CD1-CD2 4.49Å; I611-L646 HydrophobicContact CG1-CD1 3.75Å; L613-L646 HydrophobicContact CD2-CB 4.07Å; L613-L646 HydrophobicContact CD2-CD1 3.78Å; L613-L646 HydrophobicContact CG-CD1 4.42Å; L646-M656 CarbonylContact O-C 3.59Å; L646-M656 WeakPolarHBondContact O-CA 3.46Å; L646-L657 HydrophobicContact CB-CB 4.43Å; L646-L657 HydrophobicContact CD2-CD1 4.35Å; L646-L657 HydrophobicContact CG-CD1 4.49Å; L646-L657 PolarHBondContact N-O 3.06Å; L646-L657 PolarHBondContact O-N 3.4Å; L646-F683 HydrophobicContact CB-CD1 3.98Å; L646-F683 HydrophobicContact CB-CE1 3.67Å; L646-F683 HydrophobicContact CB-CE2 4.37Å; L646-F683 HydrophobicContact CB-CG 4.48Å; L646-F683 HydrophobicContact CB-CZ 3.88Å |
| 647 | V | 92.6 | Very high | 78.5 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.2 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | C612 T614 V654 F655 M656 L696 L730 | C612-V647 PolarHBondContact N-O 3.19Å; C612-V647 PolarHBondContact O-N 3.29Å; T614-V647 HydrophobicContact CG2-CB 4.23Å; T614-V647 HydrophobicContact CG2-CG2 3.71Å; V647-V654 HydrophobicContact CG1-CG1 3.77Å; V647-F655 WeakPolarHBondContact CA-O 3.33Å; V647-M656 HydrophobicContact CG2-CB 4.43Å; V647-M656 HydrophobicContact CG2-CG 4.21Å; V647-L696 HydrophobicContact CG1-CD1 4.29Å; V647-L696 HydrophobicContact CG1-CD2 3.95Å; V647-L730 HydrophobicContact CG1-CD2 4.39Å |
| 648 | M | 92.9 | Very high | 80.5 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.7 | -179.1 | 53.9 | 177.6 | -87.7 | 0 | 0 | 110.6 | I601 V602 R610 I611 Y650 V654 F655 L657 | I601-M648 HydrophobicContact CB-CE 4.49Å; I601-M648 HydrophobicContact CG2-CE 3.69Å; I601-M648 HydrophobicContact CG2-SD 4.33Å; V602-M648 HydrophobicContact CG2-CE 3.54Å; V602-M648 HydrophobicContact CG2-SD 4.34Å; R610-M648 CarbonylContact O-C 3.5Å; R610-M648 WeakPolarHBondContact O-CA 3.17Å; I611-M648 HydrophobicContact CD1-CB 4.37Å; I611-M648 HydrophobicContact CG1-CB 4.2Å; M648-Y650 HydrophobicContact CE-CG 4.44Å; M648-V654 CarbonylContact O-C 3.56Å; M648-V654 VanDerWaalsContact O-CA 3.31Å; M648-V654 WeakPolarHBondContact O-CA 3.44Å; M648-F655 HydrophobicContact CE-CD2 4.1Å; M648-F655 HydrophobicContact CG-CB 3.88Å; M648-F655 PolarHBondContact N-O 3.15Å; M648-F655 PolarHBondContact O-N 2.9Å; M648-F655 HydrophobicContact SD-CB 4.4Å; M648-L657 HydrophobicContact CG-CD1 4.25Å; M648-L657 HydrophobicContact SD-CD1 4.01Å |
| 649 | N | 93.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119 | 167.4 | -179.2 | -18.2 | 0 | 0 | 0 | 108 | V609 R610 G652 D653 V654 I693 L696 | V609-N649 HydrophobicContact CB-CB 4.07Å; V609-N649 PolarHBondContact N-O 2.83Å; R610-N649 PolarHBondContact N-O 3.45Å; R610-N649 PolarHBondContact O-N 3.24Å; N649-G652 WeakPolarHBondContact OD1-CA 3.27Å; N649-G652 PolarHBondContact OD1-N 3.08Å; N649-D653 WeakPolarHBondContact CA-O 3.38Å; N649-V654 HydrophobicContact CB-CG2 4.08Å; N649-I693 PolarHBondContact ND2-O 2.67Å; N649-L696 HydrophobicContact CB-CD2 4.35Å |
| 650 | Y | 93.5 | Very high | 83.4 | Confident | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.9 | -179.9 | 172.6 | -102.1 | 0 | 0 | 0 | 109.1 | V602 I603 F604 C607 V608 M648 G652 D653 F655 | V602-Y650 HydrophobicContact CG1-CD2 4.27Å; V602-Y650 HydrophobicContact CG1-CE2 4.09Å; I603-Y650 PolarHBondContact N-OH 2.99Å; F604-Y650 PolarHBondContact N-OH 2.9Å; F604-Y650 WeakPolarHBondContact O-CE2 3.15Å; C607-Y650 HydrophobicContact CB-CD2 3.97Å; C607-Y650 HydrophobicContact CB-CE2 3.66Å; V608-Y650 HydrophobicContact CG2-CD2 3.96Å; M648-Y650 HydrophobicContact CE-CG 4.44Å; Y650-G652 PolarHBondContact O-N 3.32Å; Y650-G652 VanDerWaalsContact O-N 3.1Å; Y650-D653 PolarHBondContact N-O 2.98Å; Y650-D653 PolarHBondContact O-N 2.9Å; Y650-F655 HydrophobicContact CD1-CE2 4.35Å |
| 651 | A | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 32.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R241 K256 C607 | R241-A651 HydrophobicContact CB-CB 4.3Å; R241-A651 HydrophobicContact CG-CB 4.49Å; K256-A651 PolarHBondContact NZ-O 3.32Å; C607-A651 HydrophobicContact CB-CB 4.43Å; C607-A651 PolarHBondContact O-N 3.32Å |
| 652 | G | 91.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N649 Y650 S691 E692 I693 | N649-G652 WeakPolarHBondContact OD1-CA 3.27Å; N649-G652 PolarHBondContact OD1-N 3.08Å; Y650-G652 PolarHBondContact O-N 3.32Å; Y650-G652 VanDerWaalsContact O-N 3.1Å; G652-S691 CarbonylContact O-C 3.56Å; G652-E692 PolarHBondContact O-N 3.38Å; G652-I693 WeakPolarHBondContact CA-O 3.11Å; G652-I693 PolarHBondContact O-N 3.37Å |
| 653 | D | 92.9 | Very high | 83 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.5 | -178.6 | -53.9 | -36 | 0 | 0 | 0 | 110.2 | K256 N649 Y650 F655 L688 S691 | K256-D653 WeakPolarHBondContact CE-OD2 3.42Å; K256-D653 IonicContact NZ-OD1 2.67Å; K256-D653 PolarHBondContact NZ-OD1 2.8Å; K256-D653 IonicContact NZ-OD2 3.11Å; K256-D653 PolarHBondContact NZ-OD2 2.88Å; N649-D653 WeakPolarHBondContact CA-O 3.38Å; Y650-D653 PolarHBondContact N-O 2.98Å; Y650-D653 PolarHBondContact O-N 2.9Å; D653-F655 HydrophobicContact CB-CE2 3.89Å; D653-F655 HydrophobicContact CB-CZ 4.32Å; D653-L688 HydrophobicContact CB-CD1 3.91Å; D653-S691 WeakPolarHBondContact OD1-CA 3.16Å; D653-S691 WeakPolarHBondContact OD1-CB 3.23Å |
| 654 | V | 94.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.5 | -172.8 | 177 | 0 | 0 | 0 | 0 | 110.1 | V647 M648 N649 V689 A690 I693 L696 L732 | V647-V654 HydrophobicContact CG1-CG1 3.77Å; M648-V654 CarbonylContact O-C 3.56Å; M648-V654 VanDerWaalsContact O-CA 3.31Å; M648-V654 WeakPolarHBondContact O-CA 3.44Å; N649-V654 HydrophobicContact CB-CG2 4.08Å; V654-V689 HydrophobicContact CG1-CB 4.39Å; V654-V689 PolarHBondContact O-N 3.39Å; V654-A690 PolarHBondContact N-O 2.92Å; V654-I693 HydrophobicContact CB-CD1 4.21Å; V654-I693 HydrophobicContact CG2-CB 4Å; V654-I693 HydrophobicContact CG2-CD1 3.63Å; V654-I693 HydrophobicContact CG2-CG1 4.43Å; V654-I693 HydrophobicContact CG2-CG2 4.04Å; V654-L696 HydrophobicContact CG1-CD1 4.23Å; V654-L732 HydrophobicContact CG2-CD2 4.45Å |
| 655 | F | 92.4 | Very high | 79.9 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 141.9 | 175.1 | -59.1 | -90.7 | 0 | 0 | 0 | 111 | I601 V647 M648 Y650 D653 P686 L687 L688 | I601-F655 HydrophobicContact CG2-CD2 4.45Å; I601-F655 HydrophobicContact CG2-CG 4.47Å; V647-F655 WeakPolarHBondContact CA-O 3.33Å; M648-F655 HydrophobicContact CE-CD2 4.1Å; M648-F655 HydrophobicContact CG-CB 3.88Å; M648-F655 PolarHBondContact N-O 3.15Å; M648-F655 PolarHBondContact O-N 2.9Å; M648-F655 HydrophobicContact SD-CB 4.4Å; Y650-F655 HydrophobicContact CD1-CE2 4.35Å; D653-F655 HydrophobicContact CB-CE2 3.89Å; D653-F655 HydrophobicContact CB-CZ 4.32Å; F655-P686 HydrophobicContact CB-CB 4.39Å; F655-P686 HydrophobicContact CD1-CB 4.14Å; F655-L687 CarbonylContact C-O 3.24Å; F655-L687 WeakPolarHBondContact CA-O 3.4Å; F655-L688 HydrophobicContact CD1-CB 4.2Å; F655-L688 HydrophobicContact CD1-CD1 4.35Å; F655-L688 HydrophobicContact CE1-CB 4.1Å; F655-L688 HydrophobicContact CE1-CD1 4.09Å; F655-L688 HydrophobicContact CZ-CD1 4.21Å |
| 656 | M | 90.8 | Very high | 77.7 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.8 | 173.2 | 178.7 | -173.3 | -167.4 | 0 | 0 | 109 | L616 S645 L646 V647 L687 V689 W742 | L616-M656 HydrophobicContact CB-CE 3.88Å; L616-M656 WeakPolarHBondContact O-CE 3.38Å; S645-M656 VanDerWaalsContact OG-CE 3.24Å; S645-M656 WeakPolarHBondContact OG-CE 3Å; L646-M656 CarbonylContact O-C 3.59Å; L646-M656 WeakPolarHBondContact O-CA 3.46Å; V647-M656 HydrophobicContact CG2-CB 4.43Å; V647-M656 HydrophobicContact CG2-CG 4.21Å; M656-L687 PolarHBondContact N-O 3Å; M656-L687 PolarHBondContact O-N 3.18Å; M656-V689 HydrophobicContact CB-CG2 3.62Å; M656-W742 HydrophobicContact CE-CH2 4.32Å; M656-W742 HydrophobicContact CE-CZ3 4.18Å; M656-W742 HydrophobicContact SD-CH2 3.5Å; M656-W742 VanDerWaalsContact SD-CH2 3.5Å; M656-W742 HydrophobicContact SD-CZ3 3.58Å; M656-W742 VanDerWaalsContact SD-CZ3 3.58Å |
| 657 | L | 90 | Very high | 75 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.5 | 173 | -57.2 | 77.7 | 0 | 0 | 0 | 108.5 | L598 I601 S645 L646 M648 F683 P686 | L598-L657 HydrophobicContact CD2-CD2 4.04Å; I601-L657 HydrophobicContact CD1-CD1 4.42Å; I601-L657 HydrophobicContact CD1-CD2 3.81Å; I601-L657 HydrophobicContact CD1-CG 4.33Å; S645-L657 CarbonylContact C-O 3.6Å; S645-L657 VanDerWaalsContact CA-O 3.22Å; S645-L657 WeakPolarHBondContact CA-O 3.43Å; S645-L657 WeakPolarHBondContact CB-O 3.35Å; L646-L657 HydrophobicContact CB-CB 4.43Å; L646-L657 HydrophobicContact CD2-CD1 4.35Å; L646-L657 HydrophobicContact CG-CD1 4.49Å; L646-L657 PolarHBondContact N-O 3.06Å; L646-L657 PolarHBondContact O-N 3.4Å; M648-L657 HydrophobicContact CG-CD1 4.25Å; M648-L657 HydrophobicContact SD-CD1 4.01Å; L657-F683 HydrophobicContact CB-CB 3.96Å; L657-F683 HydrophobicContact CB-CD1 4.23Å; L657-F683 HydrophobicContact CB-CG 4.36Å; L657-F683 HydrophobicContact CD2-CB 4.08Å; L657-F683 WeakPolarHBondContact O-CD1 3.33Å; L657-P686 HydrophobicContact CG-CB 4.2Å |
| 658 | Q | 86.1 | Confident | 72.5 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 142.7 | 175.1 | -166.4 | 97.5 | -7.6 | 0 | 0 | 110 | S618 S660 F683 G684 | S618-Q658 PolarHBondContact OG-OE1 2.91Å; Q658-S660 PolarHBondContact O-N 2.83Å; Q658-F683 WeakPolarHBondContact O-CA 3.31Å; Q658-G684 PolarHBondContact O-N 2.81Å |
| 659 | R | 81.5 | Confident | 70.2 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.3 | 167.6 | -174.7 | 172.6 | -176.5 | 171.6 | 3.5 | 109.9 | F640 I643 E644 Y661 L680 F683 | F640-R659 PolarHBondContact O-NH1 2.89Å; I643-R659 WeakPolarHBondContact O-CD 3.42Å; I643-R659 PolarHBondContact O-NH1 3.45Å; E644-R659 VanDerWaalsContact O-CB 3.31Å; E644-R659 WeakPolarHBondContact O-CB 3.3Å; E644-R659 PolarHBondContact O-N 2.56Å; R659-Y661 HydrophobicContact CB-CE2 4.36Å; R659-Y661 HydrophobicContact CG-CE2 4.33Å; R659-L680 VanDerWaalsContact CZ-O 3.31Å; R659-L680 PolarHBondContact NE-O 3.3Å; R659-L680 PolarHBondContact NH2-O 3.38Å; R659-F683 HydrophobicContact CB-CE1 4.5Å |
| 660 | S | 72.8 | Confident | 67.7 | Low | 46 Ų | 46 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130 | 174.7 | -174 | 0 | 0 | 0 | 0 | 110.1 | Q658 S682 | Q658-S660 PolarHBondContact O-N 2.83Å; S660-S682 PolarHBondContact N-O 2.83Å |
| 661 | Y | 64.3 | Low | 65.5 | Low | 120 Ų | 120 | 68.8 Ų | 68.8 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | trans | -108.9 | 86.9 | 174.5 | -66.7 | -79.7 | 0 | 0 | 0 | 108.8 | E644 R659 | E644-Y661 VanDerWaalsContact CD-OH 3.23Å; E644-Y661 WeakPolarHBondContact OE2-CE2 3.38Å; E644-Y661 PolarHBondContact OE2-OH 2.89Å; R659-Y661 HydrophobicContact CB-CE2 4.36Å; R659-Y661 HydrophobicContact CG-CE2 4.33Å | ||
| 662 | L | 54.8 | Low | 63.5 | Low | 131 Ų | 131 | 71.8 Ų | 71.8 | 69% | 0.686 | 40% | 0.398 | S | S | * | . | trans | -70.7 | 126.1 | 169.2 | -80.6 | 148.7 | 0 | 0 | 0 | 109.3 | V664 | L662-V664 PolarHBondContact O-N 3Š| ||
| 663 | D | 40.7 | Very low | 61.6 | Low | 115 Ų | 115 | 76.5 Ų | 76.5 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | trans | -69.1 | 90.1 | 175.1 | -89.5 | -23.2 | 0 | 0 | 0 | 110.3 | T625 T665 | T625-D663 PolarHBondContact OG1-OD2 3.23Å; D663-T665 VanDerWaalsContact C-N 3.27Å; D663-T665 PolarHBondContact O-N 2.95Å | ||
| 664 | V | 42.8 | Very low | 59.5 | Low | 105 Ų | 105 | 81.8 Ų | 81.8 | 64% | 0.636 | 45% | 0.453 | S | S | * | . | trans | -69.5 | 83.1 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | L662 | L662-V664 PolarHBondContact O-N 3Š| ||
| 665 | T | 40.2 | Very low | 57.2 | Low | 93 Ų | 93 | 86.4 Ų | 86.4 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | trans | -64.4 | 124.7 | 164.4 | 67 | 0 | 0 | 0 | 0 | 108.5 | D663 K667 | D663-T665 VanDerWaalsContact C-N 3.27Å; D663-T665 PolarHBondContact O-N 2.95Å; T665-K667 VanDerWaalsContact C-N 3.29Å; T665-K667 PolarHBondContact O-N 2.82Å | ||
| 666 | P | 40.4 | Very low | 55.1 | Low | 108 Ų | 108 | 89.2 Ų | 89.2 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | trans | -78 | 75.8 | -168.4 | 30.7 | -36.4 | 0 | 0 | 0 | 112 | ||||
| 667 | K | 35.6 | Very low | 53 | Low | 180 Ų | 180 | 91.4 Ų | 91.4 | 78% | 0.783 | 50% | 0.502 | S | S | * | . | trans | -97.2 | 103.5 | 172 | -70 | -179.2 | -179.6 | 173.6 | 0 | 109.1 | T665 | T665-K667 VanDerWaalsContact C-N 3.29Å; T665-K667 PolarHBondContact O-N 2.82Å | ||
| 668 | S | 39.5 | Very low | 51 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | trans | 90.1 | 130.4 | -172.3 | 78.7 | 0 | 0 | 0 | 0 | 115.6 | S670 | S668-S670 PolarHBondContact OG-OG 3.18Š| ||
| 669 | H | 43.8 | Very low | 49.4 | Very low | 194 Ų | 194 | 99.5 Ų | 99.5 | 90% | 0.898 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -101.7 | 41.4 | 175.1 | -75.6 | -69.7 | 0 | 0 | 0 | 110.8 | ||
| 670 | S | 42.6 | Very low | 48.1 | Very low | 97 Ų | 97 | 101.3 Ų | 101.3 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | trans | -118.1 | 3.6 | -172 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | S668 | S668-S670 PolarHBondContact OG-OG 3.18Š| ||
| 671 | G | 46 | Very low | 47.7 | Very low | 39 Ų | 39 | 99.2 Ų | 99.2 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | trans | -80.8 | 144.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E675 | G671-E675 WeakPolarHBondContact CA-OE2 3.37Š| ||
| 672 | T | 51.1 | Low | 48.1 | Very low | 62 Ų | 62 | 95.1 Ų | 95.1 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | trans | -71.2 | 158 | 172.4 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | E674 E675 I676 | T672-E674 PolarHBondContact O-N 2.8Å; T672-E674 VanDerWaalsContact O-N 3.15Å; T672-E675 PolarHBondContact N-OE2 2.99Å; T672-E675 PolarHBondContact O-N 3.34Å; T672-E675 VanDerWaalsContact O-N 3.16Å; T672-E675 WeakPolarHBondContact OG1-CG 3.33Å; T672-E675 PolarHBondContact OG1-N 3.38Å; T672-I676 PolarHBondContact O-N 3.31Å | ||
| 673 | P | 52.4 | Low | 49.3 | Very low | 99 Ų | 99 | 90.5 Ų | 90.5 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -24.7 | 172.8 | 23.6 | -34.3 | 0 | 0 | 0 | 112.8 | N677 | P673-N677 WeakPolarHBondContact O-CB 3.25Å; P673-N677 PolarHBondContact O-N 2.95Å; P673-N677 VanDerWaalsContact O-N 3.09Å; P673-N677 PolarHBondContact O-ND2 3.16Å |
| 674 | E | 48.1 | Very low | 51 | Low | 131 Ų | 131 | 86.5 Ų | 86.5 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.3 | -44.2 | 175.4 | -61.2 | 172.9 | 165.6 | 0 | 0 | 111.8 | T672 I676 N677 Q678 | T672-E674 PolarHBondContact O-N 2.8Å; T672-E674 VanDerWaalsContact O-N 3.15Å; E674-I676 VanDerWaalsContact C-N 3.33Å; E674-I676 PolarHBondContact O-N 2.88Å; E674-N677 PolarHBondContact O-N 2.74Å; E674-Q678 WeakPolarHBondContact O-CB 3.48Å; E674-Q678 VanDerWaalsContact O-CG 3.27Å; E674-Q678 WeakPolarHBondContact O-CG 3.07Å; E674-Q678 PolarHBondContact O-N 3.23Å |
| 675 | E | 45.8 | Very low | 52.8 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.4 | -71.7 | 172.1 | 156.5 | 0 | 0 | 112.2 | G671 T672 Q678 Q679 | G671-E675 WeakPolarHBondContact CA-OE2 3.37Å; T672-E675 PolarHBondContact N-OE2 2.99Å; T672-E675 PolarHBondContact O-N 3.34Å; T672-E675 VanDerWaalsContact O-N 3.16Å; T672-E675 WeakPolarHBondContact OG1-CG 3.33Å; T672-E675 PolarHBondContact OG1-N 3.38Å; E675-Q678 PolarHBondContact O-N 3.28Å; E675-Q679 WeakPolarHBondContact O-CG 3.4Å; E675-Q679 PolarHBondContact O-N 2.78Å; E675-Q679 VanDerWaalsContact O-N 3.16Å |
| 676 | I | 48.8 | Very low | 55 | Low | 91 Ų | 91 | 85.8 Ų | 85.8 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.8 | -61.9 | 172.7 | 0 | 0 | 0 | 110.2 | T672 E674 Q678 Q679 L680 | T672-I676 PolarHBondContact O-N 3.31Å; E674-I676 VanDerWaalsContact C-N 3.33Å; E674-I676 PolarHBondContact O-N 2.88Å; I676-Q678 VanDerWaalsContact C-N 3.32Å; I676-Q678 PolarHBondContact O-N 3.4Å; I676-Q679 PolarHBondContact O-N 3.43Å; I676-L680 HydrophobicContact CG2-CD1 4.47Å; I676-L680 WeakPolarHBondContact O-CG 3.38Å; I676-L680 PolarHBondContact O-N 3.45Å |
| 677 | N | 46 | Very low | 57.4 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 174.7 | -72.8 | -18.1 | 0 | 0 | 0 | 112 | F593 F636 P673 E674 Q679 L680 | F593-N677 HydrophobicContact CE2-CB 4.44Å; F636-N677 WeakPolarHBondContact CE1-OD1 3.39Å; P673-N677 WeakPolarHBondContact O-CB 3.25Å; P673-N677 PolarHBondContact O-N 2.95Å; P673-N677 VanDerWaalsContact O-N 3.09Å; P673-N677 PolarHBondContact O-ND2 3.16Å; E674-N677 PolarHBondContact O-N 2.74Å; N677-Q679 VanDerWaalsContact C-N 3.32Å; N677-Q679 PolarHBondContact O-N 3.28Å; N677-L680 PolarHBondContact O-N 3.16Å |
| 678 | Q | 47.7 | Very low | 60 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -26.1 | 179.5 | -74.7 | 177.4 | 33.1 | 0 | 0 | 114 | K594 E674 E675 I676 | K594-Q678 WeakPolarHBondContact CE-O 3.31Å; K594-Q678 PolarHBondContact NZ-O 2.82Å; E674-Q678 WeakPolarHBondContact O-CB 3.48Å; E674-Q678 VanDerWaalsContact O-CG 3.27Å; E674-Q678 WeakPolarHBondContact O-CG 3.07Å; E674-Q678 PolarHBondContact O-N 3.23Å; E675-Q678 PolarHBondContact O-N 3.28Å; I676-Q678 VanDerWaalsContact C-N 3.32Å; I676-Q678 PolarHBondContact O-N 3.4Å |
| 679 | Q | 51.7 | Low | 62.3 | Low | 125 Ų | 125 | 77.4 Ų | 77.4 | 58% | 0.584 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -81.9 | -26.3 | 176.8 | -70.1 | -177.8 | 11 | 0 | 0 | 113.1 | E675 I676 N677 L681 | E675-Q679 WeakPolarHBondContact O-CG 3.4Å; E675-Q679 PolarHBondContact O-N 2.78Å; E675-Q679 VanDerWaalsContact O-N 3.16Å; I676-Q679 PolarHBondContact O-N 3.43Å; N677-Q679 VanDerWaalsContact C-N 3.32Å; N677-Q679 PolarHBondContact O-N 3.28Å; Q679-L681 VanDerWaalsContact C-N 3.29Å; Q679-L681 PolarHBondContact O-N 3Å |
| 680 | L | 54.5 | Low | 64.6 | Low | 59 Ų | 59 | 69.4 Ų | 69.4 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -67.7 | -20 | -173.2 | -80.8 | 166.8 | 0 | 0 | 0 | 115.2 | F633 R659 I676 N677 | F633-L680 HydrophobicContact CE1-CD2 4.38Å; R659-L680 VanDerWaalsContact CZ-O 3.31Å; R659-L680 PolarHBondContact NE-O 3.3Å; R659-L680 PolarHBondContact NH2-O 3.38Å; I676-L680 HydrophobicContact CG2-CD1 4.47Å; I676-L680 WeakPolarHBondContact O-CG 3.38Å; I676-L680 PolarHBondContact O-N 3.45Å; N677-L680 PolarHBondContact O-N 3.16Å |
| 681 | L | 64.7 | Low | 66.9 | Low | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | trans | -124.5 | 83.2 | 174.1 | -93.5 | 134.7 | 0 | 0 | 0 | 110 | F593 K594 I643 Q679 F683 | F593-L681 HydrophobicContact CE1-CB 4.32Å; F593-L681 HydrophobicContact CE1-CD1 3.51Å; F593-L681 HydrophobicContact CZ-CD1 3.92Å; K594-L681 WeakPolarHBondContact CE-O 3.44Å; I643-L681 HydrophobicContact CB-CD2 4.49Å; I643-L681 HydrophobicContact CD1-CD1 4.28Å; I643-L681 HydrophobicContact CG2-CD2 3.91Å; Q679-L681 VanDerWaalsContact C-N 3.29Å; Q679-L681 PolarHBondContact O-N 3Å; L681-F683 HydrophobicContact CD2-CE1 4.49Å; L681-F683 HydrophobicContact CD2-CE2 4.12Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å | ||
| 682 | S | 73.5 | Confident | 69.1 | Low | 35 Ų | 35 | 66.3 Ų | 66.3 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.9 | 159.9 | 56 | 0 | 0 | 0 | 0 | 109.2 | S660 | S660-S682 PolarHBondContact N-O 2.83Å |
| 683 | F | 79.3 | Confident | 71.1 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.5 | 178.6 | -69.5 | -76.1 | 0 | 0 | 0 | 109.6 | V596 L613 L646 L657 Q658 R659 L681 | V596-F683 HydrophobicContact CG1-CD2 3.98Å; V596-F683 HydrophobicContact CG2-CD2 4.06Å; V596-F683 HydrophobicContact CG2-CE2 4.07Å; L613-F683 HydrophobicContact CD2-CE1 4.45Å; L613-F683 HydrophobicContact CD2-CZ 3.76Å; L646-F683 HydrophobicContact CB-CD1 3.98Å; L646-F683 HydrophobicContact CB-CE1 3.67Å; L646-F683 HydrophobicContact CB-CE2 4.37Å; L646-F683 HydrophobicContact CB-CG 4.48Å; L646-F683 HydrophobicContact CB-CZ 3.88Å; L657-F683 HydrophobicContact CB-CB 3.96Å; L657-F683 HydrophobicContact CB-CD1 4.23Å; L657-F683 HydrophobicContact CB-CG 4.36Å; L657-F683 HydrophobicContact CD2-CB 4.08Å; L657-F683 WeakPolarHBondContact O-CD1 3.33Å; Q658-F683 WeakPolarHBondContact O-CA 3.31Å; R659-F683 HydrophobicContact CB-CE1 4.5Å; L681-F683 HydrophobicContact CD2-CE1 4.49Å; L681-F683 HydrophobicContact CD2-CE2 4.12Å; L681-F683 HydrophobicContact CD2-CZ 3.7Å |
| 684 | G | 76 | Confident | 72.9 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -164.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q658 | Q658-G684 PolarHBondContact O-N 2.81Å |
| 685 | T | 81.7 | Confident | 75 | Confident | 126 Ų | 126 | 52.6 Ų | 52.6 | 77% | 0.773 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 143.9 | 178 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 686 | P | 86.7 | Confident | 77.2 | Confident | 57 Ų | 57 | 48.2 Ų | 48.2 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.9 | 177.2 | 30.4 | -35.6 | 0 | 0 | 0 | 111.5 | I601 F655 L657 | I601-P686 HydrophobicContact CD1-CB 3.83Å; I601-P686 HydrophobicContact CD1-CG 3.78Å; I601-P686 HydrophobicContact CG1-CG 4.07Å; F655-P686 HydrophobicContact CB-CB 4.39Å; F655-P686 HydrophobicContact CD1-CB 4.14Å; L657-P686 HydrophobicContact CG-CB 4.2Å |
| 687 | L | 89.1 | Confident | 79.1 | Confident | 85 Ų | 85 | 43.9 Ų | 43.9 | 45% | 0.445 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.9 | 168.8 | 176.3 | 64.9 | 0 | 0 | 0 | 109.1 | F655 M656 V689 | F655-L687 CarbonylContact C-O 3.24Å; F655-L687 WeakPolarHBondContact CA-O 3.4Å; M656-L687 PolarHBondContact N-O 3Å; M656-L687 PolarHBondContact O-N 3.18Å; L687-V689 PolarHBondContact O-N 3.47Å |
| 688 | L | 90.3 | Very high | 81 | Confident | 93 Ų | 93 | 41.5 Ų | 41.5 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 116.7 | 167.2 | 179.1 | 62.2 | 0 | 0 | 0 | 109 | D653 F655 A690 | D653-L688 HydrophobicContact CB-CD1 3.91Å; F655-L688 HydrophobicContact CD1-CB 4.2Å; F655-L688 HydrophobicContact CD1-CD1 4.35Å; F655-L688 HydrophobicContact CE1-CB 4.1Å; F655-L688 HydrophobicContact CE1-CD1 4.09Å; F655-L688 HydrophobicContact CZ-CD1 4.21Å; L688-A690 WeakPolarHBondContact CD1-O 3.28Å |
| 689 | V | 89.7 | Confident | 82.1 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -42.6 | -178.1 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | V654 M656 L687 L732 W742 M787 | V654-V689 HydrophobicContact CG1-CB 4.39Å; V654-V689 PolarHBondContact O-N 3.39Å; M656-V689 HydrophobicContact CB-CG2 3.62Å; L687-V689 PolarHBondContact O-N 3.47Å; V689-L732 HydrophobicContact CG1-CD1 4.48Å; V689-W742 HydrophobicContact CG1-CD2 4.16Å; V689-W742 HydrophobicContact CG1-CE3 4.3Å; V689-M787 HydrophobicContact CG1-CE 3.99Å |
| 690 | A | 91.4 | Very high | 82.5 | Confident | 25 Ų | 25 | 31.4 Ų | 31.4 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 163.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V654 L688 I693 L732 M787 | V654-A690 PolarHBondContact N-O 2.92Å; L688-A690 WeakPolarHBondContact CD1-O 3.28Å; A690-I693 HydrophobicContact CB-CD1 3.47Å; A690-I693 VanDerWaalsContact CB-CD1 3.47Å; A690-L732 HydrophobicContact CB-CD1 4.17Å; A690-M787 HydrophobicContact CB-CE 4.36Å |
| 691 | S | 91.5 | Very high | 82.5 | Confident | 52 Ų | 52 | 30.1 Ų | 30.1 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -114.3 | 166.7 | 179.7 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | G652 D653 | G652-S691 CarbonylContact O-C 3.56Å; D653-S691 WeakPolarHBondContact OD1-CA 3.16Å; D653-S691 WeakPolarHBondContact OD1-CB 3.23Å |
| 692 | E | 90.8 | Very high | 82 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 59.8 | 44.7 | 172.4 | -66.6 | 158.5 | -141.1 | 0 | 0 | 114.3 | K267 H268 F314 G652 S734 | K267-E692 WeakPolarHBondContact CG-OE1 3.49Å; K267-E692 IonicContact NZ-OE1 2.67Å; K267-E692 PolarHBondContact NZ-OE1 2.8Å; H268-E692 IonicContact CD2-OE2 2.77Å; H268-E692 IonicContact CE1-OE2 3.61Å; H268-E692 IonicContact NE2-OE2 2.68Å; H268-E692 PolarHBondContact NE2-OE2 3.05Å; F314-E692 HydrophobicContact CD1-CB 4.05Å; F314-E692 HydrophobicContact CD1-CG 4.07Å; F314-E692 HydrophobicContact CD2-CB 4.07Å; F314-E692 WeakPolarHBondContact CD2-O 3.28Å; F314-E692 HydrophobicContact CE1-CB 4.18Å; F314-E692 HydrophobicContact CE1-CG 3.98Å; F314-E692 HydrophobicContact CE2-CB 4.23Å; F314-E692 HydrophobicContact CG-CB 4.01Å; F314-E692 HydrophobicContact CZ-CB 4.28Å; F314-E692 HydrophobicContact CZ-CG 4.37Å; G652-E692 PolarHBondContact O-N 3.38Å; E692-S734 WeakPolarHBondContact O-CA 3.34Å; E692-S734 VanDerWaalsContact O-CB 3.23Å; E692-S734 WeakPolarHBondContact O-CB 3.12Å; E692-S734 PolarHBondContact O-OG 2.7Å |
| 693 | I | 92.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -106.4 | 123.3 | -178.3 | -70.6 | 153.9 | 0 | 0 | 0 | 110.9 | N649 G652 V654 A690 I695 L732 Y733 | N649-I693 PolarHBondContact ND2-O 2.67Å; G652-I693 WeakPolarHBondContact CA-O 3.11Å; G652-I693 PolarHBondContact O-N 3.37Å; V654-I693 HydrophobicContact CB-CD1 4.21Å; V654-I693 HydrophobicContact CG2-CB 4Å; V654-I693 HydrophobicContact CG2-CD1 3.63Å; V654-I693 HydrophobicContact CG2-CG1 4.43Å; V654-I693 HydrophobicContact CG2-CG2 4.04Å; A690-I693 HydrophobicContact CB-CD1 3.47Å; A690-I693 VanDerWaalsContact CB-CD1 3.47Å; I693-I695 VanDerWaalsContact CG2-O 3.29Å; I693-I695 WeakPolarHBondContact CG2-O 3.36Å; I693-L732 HydrophobicContact CD1-CB 3.85Å; I693-L732 HydrophobicContact CD1-CD1 3.9Å; I693-L732 HydrophobicContact CD1-CD2 4.13Å; I693-L732 HydrophobicContact CD1-CG 4.18Å; I693-L732 HydrophobicContact CG1-CB 4.1Å; I693-L732 HydrophobicContact CG2-CB 4.33Å; I693-L732 HydrophobicContact CG2-CD2 4.43Å; I693-Y733 CarbonylContact C-O 3.54Å; I693-Y733 WeakPolarHBondContact CA-O 3.5Å | ||
| 694 | E | 91.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -82.9 | -41 | 177.6 | -50.2 | -169.4 | 163.9 | 0 | 0 | 111.3 | Y297 S312 V313 F314 Y733 Y797 | Y297-E694 HydrophobicContact CE1-CB 4.5Å; Y297-E694 WeakPolarHBondContact CE1-O 3.41Å; S312-E694 WeakPolarHBondContact CB-OE1 3.4Å; S312-E694 WeakPolarHBondContact CB-OE2 3.44Å; S312-E694 PolarHBondContact OG-OE1 3.23Å; S312-E694 PolarHBondContact OG-OE2 3.13Å; V313-E694 HydrophobicContact CG1-CG 3.76Å; V313-E694 PolarHBondContact N-OE1 3.48Å; F314-E694 HydrophobicContact CB-CG 4.48Å; F314-E694 HydrophobicContact CD2-CG 3.51Å; F314-E694 HydrophobicContact CE2-CG 4.16Å; F314-E694 HydrophobicContact CG-CG 4.39Å; F314-E694 PolarHBondContact N-OE1 3.48Å; E694-Y733 HydrophobicContact CB-CD1 4.41Å; E694-Y733 PolarHBondContact N-O 3.43Å; E694-Y797 VanDerWaalsContact OE2-CE2 3.26Å; E694-Y797 WeakPolarHBondContact OE2-CE2 3.34Å; E694-Y797 PolarHBondContact OE2-OH 2.83Å |
| 695 | I | 91.7 | Very high | 76.8 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.2 | -174.8 | -53.1 | 173.7 | 0 | 0 | 0 | 111.1 | I410 I693 W697 Y733 Y797 | I410-I695 HydrophobicContact CD1-CD1 3.64Å; I410-I695 HydrophobicContact CD1-CG1 4.27Å; I410-I695 HydrophobicContact CD1-CG2 4.39Å; I693-I695 VanDerWaalsContact CG2-O 3.29Å; I693-I695 WeakPolarHBondContact CG2-O 3.36Å; I695-W697 HydrophobicContact CB-CE3 4.41Å; I695-W697 HydrophobicContact CB-CH2 3.68Å; I695-W697 HydrophobicContact CB-CZ2 4.14Å; I695-W697 HydrophobicContact CB-CZ3 3.83Å; I695-W697 HydrophobicContact CD1-CH2 4.24Å; I695-W697 HydrophobicContact CD1-CZ2 4.38Å; I695-W697 HydrophobicContact CG2-CD2 3.82Å; I695-W697 HydrophobicContact CG2-CE3 3.85Å; I695-W697 HydrophobicContact CG2-CH2 3.45Å; I695-W697 VanDerWaalsContact CG2-CH2 3.45Å; I695-W697 HydrophobicContact CG2-CZ2 3.41Å; I695-W697 VanDerWaalsContact CG2-CZ2 3.41Å; I695-W697 HydrophobicContact CG2-CZ3 3.67Å; I695-Y733 PolarHBondContact N-O 3.28Å; I695-Y733 PolarHBondContact O-N 3.44Å; I695-Y797 HydrophobicContact CD1-CE1 3.53Å; I695-Y797 WeakPolarHBondContact CD1-OH 3.4Å |
| 696 | L | 92.4 | Very high | 74.4 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.8 | -177.5 | 171.5 | 67.9 | 0 | 0 | 0 | 109.1 | R610 V647 N649 V654 L730 L732 | R610-L696 HydrophobicContact CB-CD2 4.47Å; R610-L696 HydrophobicContact CG-CD2 4.47Å; R610-L696 PolarHBondContact NH1-O 3.19Å; V647-L696 HydrophobicContact CG1-CD1 4.29Å; V647-L696 HydrophobicContact CG1-CD2 3.95Å; N649-L696 HydrophobicContact CB-CD2 4.35Å; V654-L696 HydrophobicContact CG1-CD1 4.23Å; L696-L730 HydrophobicContact CD1-CD1 3.79Å; L696-L730 HydrophobicContact CD1-CD2 4.07Å; L696-L730 HydrophobicContact CD1-CG 3.91Å; L696-L732 HydrophobicContact CD1-CD2 3.33Å |
| 697 | W | 89.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.4 | 168 | -52.3 | -107.8 | 0 | 0 | 0 | 110.5 | H419 I695 W731 L739 P798 L799 I801 F803 | H419-W697 AromaticContact ND1-CD1 3.65Å; H419-W697 AromaticContact ND1-NE1 3.54Å; I695-W697 HydrophobicContact CB-CE3 4.41Å; I695-W697 HydrophobicContact CB-CH2 3.68Å; I695-W697 HydrophobicContact CB-CZ2 4.14Å; I695-W697 HydrophobicContact CB-CZ3 3.83Å; I695-W697 HydrophobicContact CD1-CH2 4.24Å; I695-W697 HydrophobicContact CD1-CZ2 4.38Å; I695-W697 HydrophobicContact CG2-CD2 3.82Å; I695-W697 HydrophobicContact CG2-CE3 3.85Å; I695-W697 HydrophobicContact CG2-CH2 3.45Å; I695-W697 VanDerWaalsContact CG2-CH2 3.45Å; I695-W697 HydrophobicContact CG2-CZ2 3.41Å; I695-W697 VanDerWaalsContact CG2-CZ2 3.41Å; I695-W697 HydrophobicContact CG2-CZ3 3.67Å; W697-W731 HydrophobicContact CB-CB 4.35Å; W697-W731 HydrophobicContact CE3-CB 4.23Å; W697-W731 PolarHBondContact N-O 3.15Å; W697-W731 PolarHBondContact O-N 2.81Å; W697-L739 HydrophobicContact CZ3-CD1 4.49Å; W697-P798 HydrophobicContact CH2-CB 4.28Å; W697-P798 HydrophobicContact CH2-CG 4.18Å; W697-L799 PolarHBondContact NE1-O 3.38Å; W697-I801 HydrophobicContact CD2-CD1 3.65Å; W697-I801 HydrophobicContact CD2-CG1 4.09Å; W697-I801 HydrophobicContact CE3-CD1 3.7Å; W697-I801 HydrophobicContact CG-CD1 4.07Å; W697-I801 HydrophobicContact CG-CG1 4.39Å; W697-I801 HydrophobicContact CH2-CD1 4.37Å; W697-I801 HydrophobicContact CZ2-CD1 4.32Å; W697-I801 HydrophobicContact CZ2-CG1 4.25Å; W697-I801 HydrophobicContact CZ3-CD1 4.07Å; W697-F803 HydrophobicContact CB-CZ 3.86Å; W697-F803 HydrophobicContact CG-CZ 4.47Å |
| 698 | S | 84.4 | Confident | 68.4 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.4 | 176.9 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | T614 S700 F702 | T614-S698 VanDerWaalsContact CG2-OG 3.31Å; T614-S698 WeakPolarHBondContact CG2-OG 3.45Å; S698-S700 VanDerWaalsContact C-N 3.26Å; S698-S700 PolarHBondContact O-N 3.27Å; S698-S700 PolarHBondContact OG-OG 3.46Å; S698-F702 VanDerWaalsContact O-CD2 3.26Å; S698-F702 WeakPolarHBondContact O-CD2 3.37Å; S698-F702 WeakPolarHBondContact O-CE2 3.27Å |
| 699 | T | 72.3 | Confident | 65.3 | Low | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -68.6 | -26.5 | -175.7 | 52 | 0 | 0 | 0 | 0 | 113.5 | C701 F702 T726 K727 D728 S729 F803 | T699-C701 PolarHBondContact O-N 3.04Å; T699-C701 VanDerWaalsContact O-N 3.15Å; T699-F702 PolarHBondContact O-N 2.9Å; T699-T726 WeakPolarHBondContact CB-O 3.24Å; T699-T726 VanDerWaalsContact CG2-O 3.31Å; T699-T726 WeakPolarHBondContact CG2-O 3.44Å; T699-T726 PolarHBondContact OG1-O 3.47Å; T699-K727 CarbonylContact C-O 3.5Å; T699-K727 WeakPolarHBondContact CB-O 3.36Å; T699-K727 PolarHBondContact OG1-O 2.89Å; T699-D728 PolarHBondContact OG1-N 3.45Å; T699-S729 PolarHBondContact N-O 2.94Å; T699-S729 PolarHBondContact OG1-N 3.41Å; T699-S729 PolarHBondContact OG1-O 3.35Å; T699-F803 HydrophobicContact CG2-CB 4.48Å; T699-F803 HydrophobicContact CG2-CD1 3.45Å; T699-F803 VanDerWaalsContact CG2-CD1 3.45Å; T699-F803 HydrophobicContact CG2-CD2 4.08Å; T699-F803 HydrophobicContact CG2-CE1 3.54Å; T699-F803 HydrophobicContact CG2-CE2 4.17Å; T699-F803 HydrophobicContact CG2-CG 3.74Å; T699-F803 HydrophobicContact CG2-CZ 3.91Å |
| 700 | S | 59.9 | Low | 62.1 | Low | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.1 | -179.1 | 63.9 | 0 | 0 | 0 | 0 | 115 | T614 T615 S698 F702 K727 | T614-S700 WeakPolarHBondContact CA-OG 3.31Å; T614-S700 VanDerWaalsContact CB-OG 3.23Å; T614-S700 WeakPolarHBondContact CB-OG 3.42Å; T615-S700 WeakPolarHBondContact OG1-CB 3.09Å; S698-S700 VanDerWaalsContact C-N 3.26Å; S698-S700 PolarHBondContact O-N 3.27Å; S698-S700 PolarHBondContact OG-OG 3.46Å; S700-F702 PolarHBondContact O-N 2.97Å; S700-K727 PolarHBondContact N-O 3.22Å |
| 701 | C | 54.8 | Low | 59 | Low | 32 Ų | 32 | 60.5 Ų | 60.5 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -74.9 | -13 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | T699 | T699-C701 PolarHBondContact O-N 3.04Å; T699-C701 VanDerWaalsContact O-N 3.15Å |
| 702 | F | 52.7 | Low | 55.9 | Low | 37 Ų | 37 | 65.2 Ų | 65.2 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -118.4 | 8.4 | -159.8 | -55.3 | -48.9 | 0 | 0 | 0 | 115.6 | S416 H419 L420 S698 T699 S700 P704 F803 | S416-F702 WeakPolarHBondContact O-CE1 3.44Å; S416-F702 WeakPolarHBondContact O-CZ 3.4Å; H419-F702 HydrophobicContact CB-CZ 4.4Å; L420-F702 HydrophobicContact CD1-CD1 3.84Å; L420-F702 HydrophobicContact CD1-CE1 4.02Å; L420-F702 HydrophobicContact CD2-CB 4.32Å; L420-F702 HydrophobicContact CD2-CD1 3.6Å; L420-F702 HydrophobicContact CD2-CD2 4.09Å; L420-F702 HydrophobicContact CD2-CE1 3.8Å; L420-F702 HydrophobicContact CD2-CE2 4.29Å; L420-F702 HydrophobicContact CD2-CG 3.75Å; L420-F702 HydrophobicContact CD2-CZ 4.14Å; L420-F702 HydrophobicContact CG-CD1 3.82Å; L420-F702 HydrophobicContact CG-CE1 3.68Å; L420-F702 HydrophobicContact CG-CG 4.47Å; L420-F702 HydrophobicContact CG-CZ 4.24Å; S698-F702 VanDerWaalsContact O-CD2 3.26Å; S698-F702 WeakPolarHBondContact O-CD2 3.37Å; S698-F702 WeakPolarHBondContact O-CE2 3.27Å; T699-F702 PolarHBondContact O-N 2.9Å; S700-F702 PolarHBondContact O-N 2.97Å; F702-P704 WeakPolarHBondContact O-CD 3.39Å; F702-F803 HydrophobicContact CD2-CD2 4.18Å; F702-F803 AromaticContact CD2-CE2 3.71Å; F702-F803 HydrophobicContact CD2-CE2 3.71Å; F702-F803 AromaticContact CE2-CE2 3.88Å; F702-F803 HydrophobicContact CE2-CE2 3.88Å |
| 703 | T | 46.2 | Very low | 52.8 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | trans | -87 | 104.5 | 168.9 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | I705 K727 | T703-I705 PolarHBondContact O-N 3.13Å; T703-K727 HydrophobicContact CG2-CB 4.43Å; T703-K727 HydrophobicContact CG2-CD 3.93Å; T703-K727 HydrophobicContact CG2-CG 3.68Å | ||
| 704 | P | 38.6 | Very low | 49.7 | Very low | 101 Ų | 101 | 82.9 Ų | 82.9 | 66% | 0.656 | 45% | 0.45 | S | S | * | . | trans | -61.3 | 130.6 | 168.4 | 26.8 | -33.8 | 0 | 0 | 0 | 108.7 | F702 T706 | F702-P704 WeakPolarHBondContact O-CD 3.39Å; P704-T706 HydrophobicContact CB-CG2 4.45Å; P704-T706 HydrophobicContact CG-CG2 4.28Å; P704-T706 PolarHBondContact O-N 2.77Å | ||
| 705 | I | 36.2 | Very low | 46.7 | Very low | 142 Ų | 142 | 87.1 Ų | 87.1 | 73% | 0.728 | 48% | 0.479 | S | S | * | . | trans | -72.3 | 87.9 | 167.3 | -57.6 | 176.1 | 0 | 0 | 0 | 106.2 | T703 S707 | T703-I705 PolarHBondContact O-N 3.13Å; I705-S707 PolarHBondContact O-N 2.99Å | ||
| 706 | T | 31.6 | Very low | 43.7 | Very low | 118 Ų | 118 | 92 Ų | 92 | 72% | 0.724 | 51% | 0.511 | S | S | * | . | trans | -68.3 | 77.4 | 174.3 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | P704 | P704-T706 HydrophobicContact CB-CG2 4.45Å; P704-T706 HydrophobicContact CG-CG2 4.28Å; P704-T706 PolarHBondContact O-N 2.77Å | ||
| 707 | S | 24.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 99.1 Ų | 99.1 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | trans | -60.4 | 137.7 | 167.4 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | I705 | I705-S707 PolarHBondContact O-N 2.99Š| ||
| 708 | Q | 24.3 | Very low | 38.1 | Very low | 196 Ų | 196 | 106.5 Ų | 106.5 | 92% | 0.916 | 59% | 0.588 | S | S | * | * | trans | 67.8 | 64 | 171.9 | -53.1 | -175.5 | 2.4 | 0 | 0 | 116.9 | ||||
| 709 | A | 25.4 | Very low | 35.9 | Very low | 91 Ų | 91 | 108.9 Ų | 108.9 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | trans | -119.9 | 97.7 | 145 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 710 | N | 23.5 | Very low | 34.9 | Very low | 142 Ų | 142 | 111.1 Ų | 111.1 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | trans | 12.7 | 110.4 | 166.4 | -60.3 | -24.2 | 0 | 0 | 0 | 120.3 | D712 | N710-D712 VanDerWaalsContact C-N 3.29Å; N710-D712 PolarHBondContact O-N 3.29Å | ||
| 711 | N | 25 | Very low | 34.5 | Very low | 161 Ų | 161 | 116 Ų | 116 | 86% | 0.861 | 65% | 0.65 | S | S | * | * | 49.7 | 3.3 | 122.4 | -94.7 | -3.3 | 0 | 0 | 0 | 123.6 | R713 | N711-R713 VanDerWaalsContact C-N 3.34Å; N711-R713 PolarHBondContact O-N 3.49Å | |||
| 712 | D | 26.3 | Very low | 34.5 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | -72 | 87.3 | 175.9 | -83.5 | -26.6 | 0 | 0 | 0 | 111.8 | N710 L714 | N710-D712 VanDerWaalsContact C-N 3.29Å; N710-D712 PolarHBondContact O-N 3.29Å; D712-L714 PolarHBondContact O-N 2.99Å | ||
| 713 | R | 25.4 | Very low | 34.9 | Very low | 242 Ų | 242 | 118 Ų | 118 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | trans | -71.7 | 55.5 | 167.1 | -78.7 | -171.5 | 166.6 | -158.1 | -1.2 | 111.7 | N711 | N711-R713 VanDerWaalsContact C-N 3.34Å; N711-R713 PolarHBondContact O-N 3.49Å | ||
| 714 | L | 28.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 115.2 Ų | 115.2 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | -126.2 | 73.7 | 167.3 | -73 | 177.2 | 0 | 0 | 0 | 109.5 | D712 P716 | D712-L714 PolarHBondContact O-N 2.99Å; L714-P716 WeakPolarHBondContact O-CD 3.4Å | ||
| 715 | S | 27.2 | Very low | 37.4 | Very low | 88 Ų | 88 | 110.6 Ų | 110.6 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | trans | -54.3 | 120.6 | 162.5 | 51 | 0 | 0 | 0 | 0 | 109.1 | L717 | S715-L717 PolarHBondContact O-N 3.35Š| ||
| 716 | P | 30.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 69% | 0.688 | 59% | 0.589 | S | S | * | * | trans | -68.2 | 99.6 | 179.5 | 27.5 | -33.2 | 0 | 0 | 0 | 108.9 | L714 N718 G719 | L714-P716 WeakPolarHBondContact O-CD 3.4Å; P716-N718 PolarHBondContact O-N 3.22Å; P716-G719 PolarHBondContact O-N 3.4Å | ||
| 717 | L | 30 | Very low | 40.7 | Very low | 154 Ų | 154 | 103.1 Ų | 103.1 | 81% | 0.806 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 8.1 | -163.4 | -143.1 | 80.2 | 0 | 0 | 0 | 115.8 | S715 | S715-L717 PolarHBondContact O-N 3.35Š|
| 718 | N | 33.2 | Very low | 43.1 | Very low | 155 Ų | 155 | 100.1 Ų | 100.1 | 83% | 0.829 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.9 | 8.5 | 176.3 | -78 | -57.5 | 0 | 0 | 0 | 113 | P716 | P716-N718 PolarHBondContact O-N 3.22Š|
| 719 | G | 37.8 | Very low | 46 | Very low | 50 Ų | 50 | 90.9 Ų | 90.9 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | trans | -92.1 | 120.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P716 | P716-G719 PolarHBondContact O-N 3.4Š| ||
| 720 | I | 50.6 | Low | 49.1 | Very low | 50 Ų | 50 | 86.6 Ų | 86.6 | 26% | 0.256 | 47% | 0.469 | S | S | . | . | trans | -62.8 | 139.9 | 154 | -59.6 | 172.1 | 0 | 0 | 0 | 107 | A722 P746 V748 P749 | I720-A722 VanDerWaalsContact C-N 3.31Å; I720-A722 PolarHBondContact O-N 2.96Å; I720-P746 HydrophobicContact CG2-CB 3.98Å; I720-P746 HydrophobicContact CG2-CG 4.17Å; I720-V748 HydrophobicContact CD1-CG1 4.48Å; I720-P749 HydrophobicContact CG1-CG 4.5Å | ||
| 721 | D | 53.3 | Low | 52.3 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | trans | -59.8 | 93.1 | 165.3 | -102.9 | -45.6 | 0 | 0 | 0 | 109.4 | N723 A724 | D721-N723 PolarHBondContact O-N 2.97Å; D721-N723 VanDerWaalsContact O-N 3.08Å; D721-A724 VanDerWaalsContact O-CB 3.22Å; D721-A724 WeakPolarHBondContact O-CB 3.19Å; D721-A724 PolarHBondContact O-N 3.33Å | ||
| 722 | A | 53.3 | Low | 55.5 | Low | 32 Ų | 32 | 72.5 Ų | 72.5 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I720 A724 A873 | I720-A722 VanDerWaalsContact C-N 3.31Å; I720-A722 PolarHBondContact O-N 2.96Å; A722-A724 PolarHBondContact O-N 3.44Å; A722-A873 HydrophobicContact CB-CB 3.91Å |
| 723 | N | 62.5 | Low | 58.7 | Low | 79 Ų | 79 | 65.6 Ų | 65.6 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.3 | 169.4 | -65.6 | -52.8 | 0 | 0 | 0 | 114.4 | D721 Y725 T726 K727 | D721-N723 PolarHBondContact O-N 2.97Å; D721-N723 VanDerWaalsContact O-N 3.08Å; N723-Y725 VanDerWaalsContact C-N 3.27Å; N723-Y725 PolarHBondContact O-N 2.99Å; N723-T726 CarbonylContact O-C 3.47Å; N723-T726 PolarHBondContact O-N 3.18Å; N723-T726 PolarHBondContact O-OG1 3.29Å; N723-K727 HydrophobicContact CB-CD 4.1Å; N723-K727 HydrophobicContact CB-CG 4.27Å; N723-K727 WeakPolarHBondContact O-CB 3.35Å; N723-K727 VanDerWaalsContact O-CG 3.3Å; N723-K727 WeakPolarHBondContact O-CG 3.42Å; N723-K727 PolarHBondContact O-N 2.91Å |
| 724 | A | 66.5 | Low | 61.8 | Low | 6 Ų | 6 | 54.7 Ų | 54.7 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | D721 A722 T726 D728 P744 Y783 | D721-A724 VanDerWaalsContact O-CB 3.22Å; D721-A724 WeakPolarHBondContact O-CB 3.19Å; D721-A724 PolarHBondContact O-N 3.33Å; A722-A724 PolarHBondContact O-N 3.44Å; A724-T726 PolarHBondContact O-N 2.65Å; A724-D728 PolarHBondContact O-N 2.98Å; A724-D728 VanDerWaalsContact O-N 3.09Å; A724-P744 WeakPolarHBondContact O-CG 3.42Å; A724-Y783 HydrophobicContact CB-CE1 4.48Å |
| 725 | Y | 71 | Confident | 64.5 | Low | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -32.2 | 173.2 | -65.1 | -72.4 | 0 | 0 | 0 | 113.1 | N723 S729 L743 P744 P746 H866 Q869 M870 | N723-Y725 VanDerWaalsContact C-N 3.27Å; N723-Y725 PolarHBondContact O-N 2.99Å; Y725-S729 WeakPolarHBondContact O-CB 3.35Å; Y725-S729 PolarHBondContact O-OG 2.79Å; Y725-L743 HydrophobicContact CD1-CD2 4.4Å; Y725-P744 WeakPolarHBondContact CD1-O 3.42Å; Y725-P744 VanDerWaalsContact CE1-O 3.25Å; Y725-P744 WeakPolarHBondContact CE1-O 3.23Å; Y725-P746 HydrophobicContact CE1-CG 4.27Å; Y725-P746 HydrophobicContact CE2-CG 3.9Å; Y725-P746 VanDerWaalsContact CZ-CD 3.46Å; Y725-P746 WeakPolarHBondContact OH-CD 3.32Å; Y725-P746 WeakPolarHBondContact OH-CG 3.26Å; Y725-H866 HydrophobicContact CE1-CB 4.34Å; Y725-H866 WeakPolarHBondContact OH-CA 3.09Å; Y725-H866 VanDerWaalsContact OH-CB 3.29Å; Y725-H866 WeakPolarHBondContact OH-CB 3.46Å; Y725-H866 PolarHBondContact OH-ND1 3.01Å; Y725-Q869 HydrophobicContact CE2-CB 3.81Å; Y725-Q869 PolarHBondContact OH-OE1 3Å; Y725-M870 HydrophobicContact CD2-CB 4.28Å; Y725-M870 HydrophobicContact CG-CB 4.34Å; Y725-M870 HydrophobicContact CG-CG 4.41Å |
| 726 | T | 67 | Low | 67.2 | Low | 20 Ų | 20 | 46.2 Ų | 46.2 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -95.2 | -21.8 | -175.5 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | T699 N723 A724 Y874 | T699-T726 WeakPolarHBondContact CB-O 3.24Å; T699-T726 VanDerWaalsContact CG2-O 3.31Å; T699-T726 WeakPolarHBondContact CG2-O 3.44Å; T699-T726 PolarHBondContact OG1-O 3.47Å; N723-T726 CarbonylContact O-C 3.47Å; N723-T726 PolarHBondContact O-N 3.18Å; N723-T726 PolarHBondContact O-OG1 3.29Å; A724-T726 PolarHBondContact O-N 2.65Å; T726-Y874 HydrophobicContact CG2-CE1 4.36Å; T726-Y874 HydrophobicContact CG2-CE2 4.19Å; T726-Y874 WeakPolarHBondContact CG2-OH 3.49Å |
| 727 | K | 68.2 | Low | 69.9 | Low | 83 Ų | 83 | 44.8 Ų | 44.8 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -94.6 | -34.6 | -178.8 | -70.1 | -177.4 | 174.2 | 179 | 0 | 114.3 | T699 S700 T703 N723 | T699-K727 CarbonylContact C-O 3.5Å; T699-K727 WeakPolarHBondContact CB-O 3.36Å; T699-K727 PolarHBondContact OG1-O 2.89Å; S700-K727 PolarHBondContact N-O 3.22Å; T703-K727 HydrophobicContact CG2-CB 4.43Å; T703-K727 HydrophobicContact CG2-CD 3.93Å; T703-K727 HydrophobicContact CG2-CG 3.68Å; N723-K727 HydrophobicContact CB-CD 4.1Å; N723-K727 HydrophobicContact CB-CG 4.27Å; N723-K727 WeakPolarHBondContact O-CB 3.35Å; N723-K727 VanDerWaalsContact O-CG 3.3Å; N723-K727 WeakPolarHBondContact O-CG 3.42Å; N723-K727 PolarHBondContact O-N 2.91Å |
| 728 | D | 76.2 | Confident | 72.7 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -115.9 | 33.2 | -173.3 | -71.1 | -65.1 | 0 | 0 | 0 | 113.4 | T615 L616 T699 A724 P744 R785 | T615-D728 PolarHBondContact OG1-OD1 2.97Å; L616-D728 VanDerWaalsContact CD2-CA 3.46Å; L616-D728 HydrophobicContact CD2-CB 3.87Å; L616-D728 VanDerWaalsContact CD2-O 3.3Å; L616-D728 WeakPolarHBondContact CD2-O 3.29Å; T699-D728 PolarHBondContact OG1-N 3.45Å; A724-D728 PolarHBondContact O-N 2.98Å; A724-D728 VanDerWaalsContact O-N 3.09Å; D728-P744 HydrophobicContact CB-CG 4.11Å; D728-P744 WeakPolarHBondContact O-CD 3.48Å; D728-R785 PolarHBondContact O-NH1 3.45Å; D728-R785 PolarHBondContact O-NH2 3.22Å; D728-R785 VanDerWaalsContact O-NH2 3.15Å |
| 729 | S | 85.3 | Confident | 75.5 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | trans | -103.8 | 148.3 | 174.3 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | T699 Y725 W731 W742 | T699-S729 PolarHBondContact N-O 2.94Å; T699-S729 PolarHBondContact OG1-N 3.41Å; T699-S729 PolarHBondContact OG1-O 3.35Å; Y725-S729 WeakPolarHBondContact O-CB 3.35Å; Y725-S729 PolarHBondContact O-OG 2.79Å; S729-W731 PolarHBondContact OG-NE1 3.1Å; S729-W742 WeakPolarHBondContact CA-O 3.47Å | ||
| 730 | L | 88.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.4 | 175 | -161.8 | 72.9 | 0 | 0 | 0 | 108.8 | L616 V647 L696 L732 V741 W742 | L616-L730 HydrophobicContact CD1-CB 4.23Å; L616-L730 HydrophobicContact CD1-CD1 3.81Å; V647-L730 HydrophobicContact CG1-CD2 4.39Å; L696-L730 HydrophobicContact CD1-CD1 3.79Å; L696-L730 HydrophobicContact CD1-CD2 4.07Å; L696-L730 HydrophobicContact CD1-CG 3.91Å; L730-L732 HydrophobicContact CD2-CD2 3.91Å; L730-L732 HydrophobicContact CG-CD2 3.93Å; L730-L732 HydrophobicContact CG-CG 4.49Å; L730-V741 WeakPolarHBondContact O-CA 3.4Å; L730-W742 HydrophobicContact CB-CB 4.11Å; L730-W742 HydrophobicContact CB-CE3 4.22Å; L730-W742 HydrophobicContact CD2-CE3 4.28Å; L730-W742 PolarHBondContact N-O 3.44Å; L730-W742 VanDerWaalsContact N-O 3.14Å; L730-W742 PolarHBondContact O-N 2.79Å |
| 731 | W | 91.1 | Very high | 80 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131 | -175.7 | -65.2 | 62.5 | 0 | 0 | 0 | 109.5 | W697 S729 L739 V741 I801 F803 L808 A850 I854 | W697-W731 HydrophobicContact CB-CB 4.35Å; W697-W731 HydrophobicContact CE3-CB 4.23Å; W697-W731 PolarHBondContact N-O 3.15Å; W697-W731 PolarHBondContact O-N 2.81Å; S729-W731 PolarHBondContact OG-NE1 3.1Å; W731-L739 HydrophobicContact CE3-CD2 3.97Å; W731-L739 HydrophobicContact CZ3-CD2 4.07Å; W731-V741 HydrophobicContact CD2-CB 4.48Å; W731-V741 HydrophobicContact CD2-CG1 3.76Å; W731-V741 HydrophobicContact CD2-CG2 3.87Å; W731-V741 HydrophobicContact CE3-CG1 4.36Å; W731-V741 HydrophobicContact CE3-CG2 3.64Å; W731-V741 HydrophobicContact CG-CG1 3.95Å; W731-V741 HydrophobicContact CG-CG2 4.44Å; W731-V741 HydrophobicContact CZ2-CG1 4.2Å; W731-V741 HydrophobicContact CZ3-CG2 3.99Å; W731-I801 HydrophobicContact CB-CD1 3.89Å; W731-I801 HydrophobicContact CD2-CD1 4.03Å; W731-I801 HydrophobicContact CE3-CD1 3.7Å; W731-I801 HydrophobicContact CE3-CG2 4.34Å; W731-I801 HydrophobicContact CG-CD1 4.15Å; W731-I801 HydrophobicContact CZ3-CD1 4.48Å; W731-I801 HydrophobicContact CZ3-CG2 4.3Å; W731-F803 AromaticContact CD1-CE1 3.65Å; W731-F803 HydrophobicContact CD2-CE1 4.06Å; W731-F803 AromaticContact CE2-CE1 3.89Å; W731-F803 AromaticContact CG-CE1 3.92Å; W731-F803 HydrophobicContact CG-CE1 3.92Å; W731-F803 HydrophobicContact CZ2-CD1 4.34Å; W731-F803 AromaticContact NE1-CD1 3.9Å; W731-F803 AromaticContact NE1-CE1 3.66Å; W731-L808 HydrophobicContact CZ3-CD2 4.22Å; W731-A850 HydrophobicContact CZ3-CB 4.48Å; W731-I854 HydrophobicContact CH2-CD1 3.51Å; W731-I854 HydrophobicContact CZ2-CD1 4.07Å; W731-I854 HydrophobicContact CZ3-CD1 4.12Å |
| 732 | L | 93.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 110.5 | -161.7 | -54.1 | 175.4 | 0 | 0 | 0 | 109.6 | V654 V689 A690 I693 L696 L730 S740 M787 | V654-L732 HydrophobicContact CG2-CD2 4.45Å; V689-L732 HydrophobicContact CG1-CD1 4.48Å; A690-L732 HydrophobicContact CB-CD1 4.17Å; I693-L732 HydrophobicContact CD1-CB 3.85Å; I693-L732 HydrophobicContact CD1-CD1 3.9Å; I693-L732 HydrophobicContact CD1-CD2 4.13Å; I693-L732 HydrophobicContact CD1-CG 4.18Å; I693-L732 HydrophobicContact CG1-CB 4.1Å; I693-L732 HydrophobicContact CG2-CB 4.33Å; I693-L732 HydrophobicContact CG2-CD2 4.43Å; L696-L732 HydrophobicContact CD1-CD2 3.33Å; L730-L732 HydrophobicContact CD2-CD2 3.91Å; L730-L732 HydrophobicContact CG-CD2 3.93Å; L730-L732 HydrophobicContact CG-CG 4.49Å; L732-S740 WeakPolarHBondContact CB-OG 3.27Å; L732-S740 PolarHBondContact N-O 3.15Å; L732-S740 PolarHBondContact O-N 2.68Å; L732-S740 PolarHBondContact O-OG 3.09Å; L732-M787 HydrophobicContact CD1-CE 3.73Å; L732-M787 HydrophobicContact CD1-SD 4.25Å |
| 733 | Y | 92.5 | Very high | 83.3 | Confident | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.8 | -179.7 | 177.1 | -95.7 | 0 | 0 | 0 | 112 | A316 I693 E694 I695 G735 G738 L792 Y797 P798 | A316-Y733 WeakPolarHBondContact CB-OH 3.4Å; I693-Y733 CarbonylContact C-O 3.54Å; I693-Y733 WeakPolarHBondContact CA-O 3.5Å; E694-Y733 HydrophobicContact CB-CD1 4.41Å; E694-Y733 PolarHBondContact N-O 3.43Å; I695-Y733 PolarHBondContact N-O 3.28Å; I695-Y733 PolarHBondContact O-N 3.44Å; Y733-G735 PolarHBondContact OH-O 2.82Å; Y733-G735 VanDerWaalsContact OH-O 3.05Å; Y733-G738 WeakPolarHBondContact CD2-O 3.44Å; Y733-L792 HydrophobicContact CD2-CD1 4.17Å; Y733-L792 HydrophobicContact CE2-CD1 4.07Å; Y733-Y797 HydrophobicContact CD1-CE2 4.21Å; Y733-Y797 AromaticContact CD1-CZ 3.88Å; Y733-Y797 AromaticContact CE1-CD2 3.93Å; Y733-Y797 HydrophobicContact CE1-CD2 3.93Å; Y733-Y797 HydrophobicContact CE1-CE1 4.23Å; Y733-Y797 AromaticContact CE1-CE2 3.29Å; Y733-Y797 HydrophobicContact CE1-CE2 3.29Å; Y733-Y797 AromaticContact CE1-CZ 3.43Å; Y733-Y797 VanDerWaalsContact CE1-CZ 3.43Å; Y733-Y797 AromaticContact CZ-CE2 3.92Å; Y733-P798 HydrophobicContact CD1-CG 4.4Å; Y733-P798 HydrophobicContact CD2-CG 3.48Å; Y733-P798 VanDerWaalsContact CD2-CG 3.48Å; Y733-P798 HydrophobicContact CE2-CG 3.82Å; Y733-P798 HydrophobicContact CG-CG 3.8Å |
| 734 | S | 89.7 | Confident | 84.3 | Confident | 12 Ų | 12 | 16.8 Ų | 16.8 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | trans | -133.7 | 50 | -164.4 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | E692 A736 V737 G738 | E692-S734 WeakPolarHBondContact O-CA 3.34Å; E692-S734 VanDerWaalsContact O-CB 3.23Å; E692-S734 WeakPolarHBondContact O-CB 3.12Å; E692-S734 PolarHBondContact O-OG 2.7Å; S734-A736 PolarHBondContact O-N 2.92Å; S734-A736 VanDerWaalsContact O-N 3.1Å; S734-V737 WeakPolarHBondContact O-CB 3.43Å; S734-V737 PolarHBondContact O-N 3.39Å; S734-G738 PolarHBondContact N-O 2.97Å | ||
| 735 | G | 87 | Confident | 85 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | 52.3 | -116.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y733 V737 G738 | Y733-G735 PolarHBondContact OH-O 2.82Å; Y733-G735 VanDerWaalsContact OH-O 3.05Å; G735-V737 VanDerWaalsContact C-N 3.28Å; G735-V737 PolarHBondContact O-N 2.98Å; G735-G738 PolarHBondContact O-N 2.97Å; G735-G738 VanDerWaalsContact O-N 3.12Å |
| 736 | A | 84.1 | Confident | 85.1 | Confident | 58 Ų | 58 | 17.6 Ų | 17.6 | 48% | 0.479 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -60.6 | -31.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F314 S734 G738 | F314-A736 WeakPolarHBondContact O-CB 3.24Å; F314-A736 PolarHBondContact O-N 3.44Å; S734-A736 PolarHBondContact O-N 2.92Å; S734-A736 VanDerWaalsContact O-N 3.1Å; A736-G738 PolarHBondContact O-N 3.39Å |
| 737 | V | 86.4 | Confident | 85.2 | Confident | 75 Ų | 75 | 23 Ų | 23 | 46% | 0.455 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -73.8 | -14.2 | 179.1 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | S734 G735 | S734-V737 WeakPolarHBondContact O-CB 3.43Å; S734-V737 PolarHBondContact O-N 3.39Å; G735-V737 VanDerWaalsContact C-N 3.28Å; G735-V737 PolarHBondContact O-N 2.98Å |
| 738 | G | 88.7 | Confident | 85 | Confident | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | trans | 80.4 | -130.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y733 S734 G735 A736 | Y733-G738 WeakPolarHBondContact CD2-O 3.44Å; S734-G738 PolarHBondContact N-O 2.97Å; G735-G738 PolarHBondContact O-N 2.97Å; G735-G738 VanDerWaalsContact O-N 3.12Å; A736-G738 PolarHBondContact O-N 3.39Å | ||
| 739 | L | 91.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.9 | -167.1 | -173.5 | 63.2 | 0 | 0 | 0 | 111.3 | W697 W731 V741 S789 F790 L792 L808 | W697-L739 HydrophobicContact CZ3-CD1 4.49Å; W731-L739 HydrophobicContact CE3-CD2 3.97Å; W731-L739 HydrophobicContact CZ3-CD2 4.07Å; L739-V741 HydrophobicContact CG-CG2 4.42Å; L739-S789 CarbonylContact O-C 3.57Å; L739-S789 WeakPolarHBondContact O-CA 3.3Å; L739-F790 HydrophobicContact CB-CD2 4.49Å; L739-F790 HydrophobicContact CB-CE2 4.12Å; L739-F790 HydrophobicContact CB-CZ 4.35Å; L739-F790 HydrophobicContact CD2-CE2 3.84Å; L739-F790 HydrophobicContact CD2-CZ 3.74Å; L739-F790 HydrophobicContact CG-CE2 4.33Å; L739-F790 HydrophobicContact CG-CZ 4.15Å; L739-F790 PolarHBondContact N-O 2.91Å; L739-F790 PolarHBondContact O-N 3.4Å; L739-F790 VanDerWaalsContact O-O 3.12Å; L739-L792 HydrophobicContact CB-CD1 3.96Å; L739-L792 HydrophobicContact CB-CD2 4.45Å; L739-L792 HydrophobicContact CB-CG 4Å; L739-L792 HydrophobicContact CD2-CD1 4.37Å; L739-L808 HydrophobicContact CD2-CD1 3.65Å; L739-L808 HydrophobicContact CD2-CD2 3.81Å; L739-L808 HydrophobicContact CD2-CG 4.34Å |
| 740 | S | 92 | Very high | 82.5 | Confident | 14 Ų | 14 | 26.8 Ų | 26.8 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.6 | 171.1 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | L732 L788 S789 | L732-S740 WeakPolarHBondContact CB-OG 3.27Å; L732-S740 PolarHBondContact N-O 3.15Å; L732-S740 PolarHBondContact O-N 2.68Å; L732-S740 PolarHBondContact O-OG 3.09Å; S740-L788 CarbonylContact C-O 3.59Å; S740-L788 VanDerWaalsContact CA-O 3.3Å; S740-L788 WeakPolarHBondContact CA-O 3.37Å; S740-S789 WeakPolarHBondContact CB-OG 3.42Å |
| 741 | V | 91 | Very high | 80.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.6 | -173.6 | -165 | 0 | 0 | 0 | 0 | 109.3 | L730 W731 L739 L743 L788 F790 I854 | L730-V741 WeakPolarHBondContact O-CA 3.4Å; W731-V741 HydrophobicContact CD2-CB 4.48Å; W731-V741 HydrophobicContact CD2-CG1 3.76Å; W731-V741 HydrophobicContact CD2-CG2 3.87Å; W731-V741 HydrophobicContact CE3-CG1 4.36Å; W731-V741 HydrophobicContact CE3-CG2 3.64Å; W731-V741 HydrophobicContact CG-CG1 3.95Å; W731-V741 HydrophobicContact CG-CG2 4.44Å; W731-V741 HydrophobicContact CZ2-CG1 4.2Å; W731-V741 HydrophobicContact CZ3-CG2 3.99Å; L739-V741 HydrophobicContact CG-CG2 4.42Å; V741-L743 HydrophobicContact CB-CD1 4.35Å; V741-L743 HydrophobicContact CG1-CD1 4.1Å; V741-L743 HydrophobicContact CG1-CD2 4.46Å; V741-L743 HydrophobicContact CG1-CG 3.89Å; V741-L788 PolarHBondContact N-O 3.05Å; V741-L788 PolarHBondContact O-N 3.34Å; V741-F790 HydrophobicContact CG2-CE1 3.92Å; V741-F790 HydrophobicContact CG2-CZ 4.22Å; V741-I854 HydrophobicContact CG2-CD1 4.39Å |
| 742 | W | 89.5 | Confident | 78.7 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 95.5 | 178 | -162 | 49.8 | 0 | 0 | 0 | 109.3 | M656 V689 S729 L730 R785 I786 M787 | M656-W742 HydrophobicContact CE-CH2 4.32Å; M656-W742 HydrophobicContact CE-CZ3 4.18Å; M656-W742 HydrophobicContact SD-CH2 3.5Å; M656-W742 VanDerWaalsContact SD-CH2 3.5Å; M656-W742 HydrophobicContact SD-CZ3 3.58Å; M656-W742 VanDerWaalsContact SD-CZ3 3.58Å; V689-W742 HydrophobicContact CG1-CD2 4.16Å; V689-W742 HydrophobicContact CG1-CE3 4.3Å; S729-W742 WeakPolarHBondContact CA-O 3.47Å; L730-W742 HydrophobicContact CB-CB 4.11Å; L730-W742 HydrophobicContact CB-CE3 4.22Å; L730-W742 HydrophobicContact CD2-CE3 4.28Å; L730-W742 PolarHBondContact N-O 3.44Å; L730-W742 VanDerWaalsContact N-O 3.14Å; L730-W742 PolarHBondContact O-N 2.79Å; W742-R785 HydrophobicContact CD2-CB 4.24Å; W742-R785 HydrophobicContact CZ2-CB 3.97Å; W742-R785 HydrophobicContact CZ2-CG 4.3Å; W742-I786 CarbonylContact C-O 3.54Å; W742-I786 WeakPolarHBondContact CA-O 3.38Å; W742-M787 HydrophobicContact CB-CE 3.88Å; W742-M787 HydrophobicContact CB-SD 3.88Å; W742-M787 HydrophobicContact CG-CE 3.95Å; W742-M787 HydrophobicContact CG-SD 4.39Å |
| 743 | L | 86.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139 | -171.9 | -80 | 148.8 | 0 | 0 | 0 | 111.5 | Y725 V741 R785 I786 L788 I854 M870 | Y725-L743 HydrophobicContact CD1-CD2 4.4Å; V741-L743 HydrophobicContact CB-CD1 4.35Å; V741-L743 HydrophobicContact CG1-CD1 4.1Å; V741-L743 HydrophobicContact CG1-CD2 4.46Å; V741-L743 HydrophobicContact CG1-CG 3.89Å; L743-R785 CarbonylContact O-C 3.45Å; L743-R785 VanDerWaalsContact O-CA 3.24Å; L743-R785 WeakPolarHBondContact O-CA 3.16Å; L743-I786 HydrophobicContact CB-CG2 4.41Å; L743-I786 PolarHBondContact N-O 3.18Å; L743-I786 PolarHBondContact O-N 2.89Å; L743-L788 HydrophobicContact CD1-CD1 3.61Å; L743-L788 HydrophobicContact CD1-CG 4.28Å; L743-I854 HydrophobicContact CD1-CG2 3.74Å; L743-M870 HydrophobicContact CD2-CE 4.12Å |
| 744 | P | 83.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139 | 168.2 | 33.1 | -32.5 | 0 | 0 | 0 | 110.2 | A724 Y725 D728 P746 Y783 | A724-P744 WeakPolarHBondContact O-CG 3.42Å; Y725-P744 WeakPolarHBondContact CD1-O 3.42Å; Y725-P744 VanDerWaalsContact CE1-O 3.25Å; Y725-P744 WeakPolarHBondContact CE1-O 3.23Å; D728-P744 HydrophobicContact CB-CG 4.11Å; D728-P744 WeakPolarHBondContact O-CD 3.48Å; P744-P746 WeakPolarHBondContact O-CD 3.35Å; P744-Y783 HydrophobicContact CB-CD1 4.24Å; P744-Y783 HydrophobicContact CB-CG 4.31Å |
| 745 | L | 81.9 | Confident | 72 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 102.4 | 169.1 | -53.5 | 179.8 | 0 | 0 | 0 | 108.4 | R784 I786 L863 H866 | L745-R784 WeakPolarHBondContact CA-O 3.29Å; L745-R784 WeakPolarHBondContact CB-O 3.3Å; L745-R784 VanDerWaalsContact CG-O 3.29Å; L745-R784 WeakPolarHBondContact CG-O 3.41Å; L745-R784 PolarHBondContact N-O 2.82Å; L745-R784 PolarHBondContact O-N 2.87Å; L745-I786 HydrophobicContact CD1-CB 4.23Å; L745-I786 HydrophobicContact CD1-CG2 4.06Å; L745-I786 HydrophobicContact CD2-CG2 3.88Å; L745-I786 HydrophobicContact CG-CG2 4.03Å; L745-L863 HydrophobicContact CD1-CD1 3.87Å; L745-L863 HydrophobicContact CD2-CD1 4.37Å; L745-H866 HydrophobicContact CD2-CB 4.32Å |
| 746 | P | 73.1 | Confident | 70 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -61 | 142.5 | 171.1 | 25 | -33.6 | 0 | 0 | 0 | 110.8 | I720 Y725 P744 V748 Y783 H866 | I720-P746 HydrophobicContact CG2-CB 3.98Å; I720-P746 HydrophobicContact CG2-CG 4.17Å; Y725-P746 HydrophobicContact CE1-CG 4.27Å; Y725-P746 HydrophobicContact CE2-CG 3.9Å; Y725-P746 VanDerWaalsContact CZ-CD 3.46Å; Y725-P746 WeakPolarHBondContact OH-CD 3.32Å; Y725-P746 WeakPolarHBondContact OH-CG 3.26Å; P744-P746 WeakPolarHBondContact O-CD 3.35Å; P746-V748 PolarHBondContact O-N 2.88Å; P746-Y783 HydrophobicContact CB-CD1 4.13Å; P746-Y783 HydrophobicContact CB-CE1 3.95Å; P746-H866 PolarHBondContact O-CE1 3.42Å; P746-H866 VanDerWaalsContact O-CE1 3.27Å |
| 747 | Q | 68.1 | Low | 67.7 | Low | 133 Ų | 133 | 52.8 Ų | 52.8 | 62% | 0.621 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 124.6 | 172.5 | -60.2 | -175.9 | 18.8 | 0 | 0 | 109 | D782 | Q747-D782 PolarHBondContact NE2-O 3.02Š|
| 748 | V | 63.7 | Low | 65.5 | Low | 42 Ų | 42 | 55.4 Ų | 55.4 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 129.4 | -174.4 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | I720 P746 S750 L752 I865 Q869 | I720-V748 HydrophobicContact CD1-CG1 4.48Å; P746-V748 PolarHBondContact O-N 2.88Å; V748-S750 PolarHBondContact O-N 3.06Å; V748-L752 HydrophobicContact CG1-CB 3.83Å; V748-L752 HydrophobicContact CG1-CD1 4.23Å; V748-I865 HydrophobicContact CB-CG2 4.4Å; V748-I865 HydrophobicContact CG1-CG2 3.9Å; V748-I865 HydrophobicContact CG2-CG2 3.94Å; V748-Q869 VanDerWaalsContact CG1-NE2 3.28Å |
| 749 | P | 57.6 | Low | 62.5 | Low | 61 Ų | 61 | 64.9 Ų | 64.9 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 133.1 | 169.6 | -26.7 | 36.1 | 0 | 0 | 0 | 111.2 | I720 S751 L752 | I720-P749 HydrophobicContact CG1-CG 4.5Å; P749-S751 PolarHBondContact O-N 2.79Å; P749-L752 PolarHBondContact O-N 2.93Å |
| 750 | S | 51.1 | Low | 59.6 | Low | 96 Ų | 96 | 68.9 Ų | 68.9 | 67% | 0.671 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.8 | -174.3 | 48 | 0 | 0 | 0 | 0 | 114.6 | V748 F754 | V748-S750 PolarHBondContact O-N 3.06Å; S750-F754 WeakPolarHBondContact O-CD2 3.42Å |
| 751 | S | 53 | Low | 56.7 | Low | 81 Ų | 81 | 74.4 Ų | 74.4 | 57% | 0.566 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -38.2 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | P749 A753 | P749-S751 PolarHBondContact O-N 2.79Å; S751-A753 VanDerWaalsContact C-N 3.33Å |
| 752 | L | 46.8 | Very low | 53.6 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -80.6 | -13.9 | -179.7 | -68.2 | 175.5 | 0 | 0 | 0 | 113.3 | V748 P749 F754 | V748-L752 HydrophobicContact CG1-CB 3.83Å; V748-L752 HydrophobicContact CG1-CD1 4.23Å; P749-L752 PolarHBondContact O-N 2.93Å; L752-F754 VanDerWaalsContact C-N 3.26Å; L752-F754 PolarHBondContact O-N 2.94Å |
| 753 | A | 48.6 | Very low | 50.7 | Low | 47 Ų | 47 | 89.4 Ų | 89.4 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -70.9 | -21.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S751 I865 | S751-A753 VanDerWaalsContact C-N 3.33Å; A753-I865 HydrophobicContact CB-CD1 4.47Å |
| 754 | F | 41.7 | Very low | 47.8 | Very low | 162 Ų | 162 | 96.1 Ų | 96.1 | 71% | 0.711 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -77.5 | -15.9 | -178.6 | -80.8 | -82.6 | 0 | 0 | 0 | 114.8 | S750 L752 | S750-F754 WeakPolarHBondContact O-CD2 3.42Å; L752-F754 VanDerWaalsContact C-N 3.26Å; L752-F754 PolarHBondContact O-N 2.94Å |
| 755 | S | 46.3 | Very low | 45.3 | Very low | 78 Ų | 78 | 102.2 Ų | 102.2 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -73.2 | -34.3 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 756 | F | 43.8 | Very low | 42.7 | Very low | 40 Ų | 40 | 109.7 Ų | 109.7 | 18% | 0.175 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -100 | 95.7 | -177.7 | -67.5 | -81.7 | 0 | 0 | 0 | 110.3 | Y758 I865 F868 E916 | F756-Y758 VanDerWaalsContact C-N 3.29Å; F756-Y758 PolarHBondContact O-N 2.94Å; F756-I865 HydrophobicContact CB-CG1 4.41Å; F756-I865 HydrophobicContact CD2-CG1 3.8Å; F756-I865 HydrophobicContact CE2-CG1 4.49Å; F756-I865 HydrophobicContact CG-CG1 4.31Å; F756-F868 HydrophobicContact CE2-CB 4.16Å; F756-F868 HydrophobicContact CE2-CD1 4.02Å; F756-F868 HydrophobicContact CE2-CG 4.11Å; F756-F868 HydrophobicContact CZ-CB 3.85Å; F756-F868 HydrophobicContact CZ-CD1 4.09Å; F756-F868 HydrophobicContact CZ-CD2 4.1Å; F756-F868 AromaticContact CZ-CG 3.76Å; F756-F868 HydrophobicContact CZ-CG 3.76Å; F756-E916 HydrophobicContact CE1-CG 4.4Å; F756-E916 HydrophobicContact CZ-CG 4.47Å |
| 757 | N | 35.7 | Very low | 40.7 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 81% | 0.807 | 63% | 0.63 | S | S | * | * | trans | -66.2 | 81 | 177.5 | -83.1 | -28.4 | 0 | 0 | 0 | 112.5 | ||||
| 758 | Y | 40.2 | Very low | 38.8 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 51% | 0.506 | 64% | 0.643 | S | S | . | * | trans | -108.9 | 89.6 | 167.3 | -94.6 | -85.7 | 0 | 0 | 0 | 110.2 | F756 S760 Q909 | F756-Y758 VanDerWaalsContact C-N 3.29Å; F756-Y758 PolarHBondContact O-N 2.94Å; Y758-S760 PolarHBondContact O-N 3.47Å; Y758-Q909 WeakPolarHBondContact OH-CG 3.3Å; Y758-Q909 PolarHBondContact OH-NE2 3.29Å | ||
| 759 | E | 26.9 | Very low | 37.1 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 94% | 0.944 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 53.1 | 174.1 | -65.1 | -163.6 | 116.1 | 0 | 0 | 112.5 | ||
| 760 | S | 30.3 | Very low | 35.7 | Very low | 86 Ų | 86 | 131 Ų | 131 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | 8.5 | -174.3 | 64.5 | 0 | 0 | 0 | 0 | 117.5 | Y758 | Y758-S760 PolarHBondContact O-N 3.47Š|
| 761 | V | 31.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | trans | -134.8 | 86.5 | 162.8 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 762 | R | 26 | Very low | 33.5 | Very low | 250 Ų | 250 | 136.5 Ų | 136.5 | 94% | 0.943 | 71% | 0.711 | S | S | * | * | trans | -136.6 | 66 | 166.6 | -88.8 | -169.3 | 172.1 | 173.2 | 0.4 | 111.4 | ||||
| 763 | S | 26.7 | Very low | 32.6 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -131.4 | 158.6 | 157.5 | 65.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 764 | D | 26.4 | Very low | 31.6 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 63.7 | 63.1 | 163.7 | -45.6 | -43.3 | 0 | 0 | 0 | 117.8 | ||
| 765 | T | 32.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | -171.8 | 103.6 | 114.5 | 20.6 | 0 | 0 | 0 | 0 | 112.7 | Q767 | T765-Q767 PolarHBondContact O-N 2.85Š| |||
| 766 | N | 25.7 | Very low | 30 | Very low | 179 Ų | 179 | 146 Ų | 146 | 96% | 0.957 | 77% | 0.768 | S | S | * | * | trans | -88.6 | 88.7 | 160.4 | -91.8 | -37 | 0 | 0 | 0 | 109.3 | ||||
| 767 | Q | 31.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -118.2 | 143.4 | 162.9 | -71.1 | -162.8 | -2.5 | 0 | 0 | 110.7 | T765 | T765-Q767 PolarHBondContact O-N 2.85Š| ||
| 768 | K | 28.1 | Very low | 28.9 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 126.7 | -168.6 | -62 | 173.3 | -177.8 | 173.7 | 0 | 110.4 | S770 | K768-S770 PolarHBondContact O-N 3.43Å; K768-S770 VanDerWaalsContact O-N 3.13Å | ||
| 769 | F | 28.2 | Very low | 28.6 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -69.5 | 104.1 | 159.9 | -82.7 | -89.8 | 0 | 0 | 0 | 109.4 | ||||
| 770 | S | 29.3 | Very low | 28.9 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 124.8 | 157.8 | 48.5 | 0 | 0 | 0 | 0 | 108.8 | K768 D772 | K768-S770 PolarHBondContact O-N 3.43Å; K768-S770 VanDerWaalsContact O-N 3.13Å; S770-D772 PolarHBondContact O-N 2.88Å | ||
| 771 | T | 28.7 | Very low | 29.5 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 108.1 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 772 | D | 29.1 | Very low | 30.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -139.8 | 148.7 | 157.7 | -96.3 | -50.1 | 0 | 0 | 0 | 109.6 | S770 | S770-D772 PolarHBondContact O-N 2.88Š| ||
| 773 | H | 28.4 | Very low | 31.8 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 89% | 0.889 | 74% | 0.737 | S | S | * | * | trans | -93.3 | 124.2 | -172.4 | -72.7 | -93.7 | 0 | 0 | 0 | 111.6 | ||||
| 774 | D | 27.3 | Very low | 34 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -145.5 | 137.6 | 151.5 | -134.2 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 775 | S | 27 | Very low | 36.6 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 71% | 0.712 | S | S | * | * | trans | -117.2 | 58.2 | -163.5 | 52.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 776 | S | 26.6 | Very low | 39.2 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -147.9 | 49.1 | -173.7 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 777 | S | 28.3 | Very low | 42.2 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 65% | 0.649 | S | S | * | * | trans | -121.1 | 64.8 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 778 | V | 28.8 | Very low | 45 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | trans | -112.9 | 132 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 779 | L | 32.9 | Very low | 48 | Very low | 159 Ų | 159 | 107 Ų | 107 | 83% | 0.832 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 72.2 | 61.6 | 179 | -60.1 | 163.7 | 0 | 0 | 0 | 117.5 | ||
| 780 | N | 34.6 | Very low | 50.8 | Low | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | trans | -155.8 | 87.5 | 150.9 | -129.4 | 30 | 0 | 0 | 0 | 111.2 | R624 | R624-N780 PolarHBondContact NH1-OD1 3.12Š| ||
| 781 | C | 41.7 | Very low | 53.3 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | trans | -91.5 | 112.6 | 172.8 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | Y783 | C781-Y783 HydrophobicContact CB-CE1 4.3Å; C781-Y783 HydrophobicContact CB-CE2 3.87Å; C781-Y783 WeakPolarHBondContact O-CD2 3.06Å; C781-Y783 WeakPolarHBondContact O-CE2 3.21Å; C781-Y783 PolarHBondContact O-N 3.22Å | ||
| 782 | D | 49 | Very low | 55.6 | Low | 71 Ų | 71 | 94.8 Ų | 94.8 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | trans | -80.4 | 104.5 | 170.1 | -82.3 | 2.6 | 0 | 0 | 0 | 109.4 | S621 Q747 | S621-D782 WeakPolarHBondContact CB-OD2 3.44Å; S621-D782 PolarHBondContact OG-OD2 3.47Å; Q747-D782 PolarHBondContact NE2-O 3.02Å | ||
| 783 | Y | 58.2 | Low | 57.4 | Low | 76 Ų | 76 | 88.9 Ų | 88.9 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 122.6 | 177.6 | -56.1 | -89.1 | 0 | 0 | 0 | 110.4 | A724 P744 P746 C781 | A724-Y783 HydrophobicContact CB-CE1 4.48Å; P744-Y783 HydrophobicContact CB-CD1 4.24Å; P744-Y783 HydrophobicContact CB-CG 4.31Å; P746-Y783 HydrophobicContact CB-CD1 4.13Å; P746-Y783 HydrophobicContact CB-CE1 3.95Å; C781-Y783 HydrophobicContact CB-CE1 4.3Å; C781-Y783 HydrophobicContact CB-CE2 3.87Å; C781-Y783 WeakPolarHBondContact O-CD2 3.06Å; C781-Y783 WeakPolarHBondContact O-CE2 3.21Å; C781-Y783 PolarHBondContact O-N 3.22Å |
| 784 | R | 71.9 | Confident | 59.1 | Low | 206 Ų | 206 | 83 Ų | 83 | 78% | 0.777 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.1 | 165.5 | -74.6 | -174.3 | 174.2 | -173.3 | -1.2 | 108.6 | L745 | L745-R784 WeakPolarHBondContact CA-O 3.29Å; L745-R784 WeakPolarHBondContact CB-O 3.3Å; L745-R784 VanDerWaalsContact CG-O 3.29Å; L745-R784 WeakPolarHBondContact CG-O 3.41Å; L745-R784 PolarHBondContact N-O 2.82Å; L745-R784 PolarHBondContact O-N 2.87Å |
| 785 | R | 80.7 | Confident | 61.1 | Low | 18 Ų | 18 | 81 Ų | 81 | 7% | 0.068 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 145.8 | 175.6 | -63.1 | 176.7 | 170.8 | -84.1 | -12.1 | 112.3 | K617 N619 D728 W742 L743 | K617-R785 PolarHBondContact O-NE 3.38Å; N619-R785 PolarHBondContact ND2-O 3.48Å; N619-R785 VanDerWaalsContact OD1-CB 3.24Å; N619-R785 WeakPolarHBondContact OD1-CB 3.49Å; N619-R785 WeakPolarHBondContact OD1-CG 3.17Å; N619-R785 PolarHBondContact OD1-N 3.01Å; D728-R785 PolarHBondContact O-NH1 3.45Å; D728-R785 PolarHBondContact O-NH2 3.22Å; D728-R785 VanDerWaalsContact O-NH2 3.15Å; W742-R785 HydrophobicContact CD2-CB 4.24Å; W742-R785 HydrophobicContact CZ2-CB 3.97Å; W742-R785 HydrophobicContact CZ2-CG 4.3Å; L743-R785 CarbonylContact O-C 3.45Å; L743-R785 VanDerWaalsContact O-CA 3.24Å; L743-R785 WeakPolarHBondContact O-CA 3.16Å |
| 786 | I | 87.1 | Confident | 63.6 | Low | 34 Ų | 34 | 75.5 Ų | 75.5 | 17% | 0.174 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.8 | 175.8 | -166.8 | 166.5 | 0 | 0 | 0 | 111.1 | W742 L743 L745 L788 K861 L863 | W742-I786 CarbonylContact C-O 3.54Å; W742-I786 WeakPolarHBondContact CA-O 3.38Å; L743-I786 HydrophobicContact CB-CG2 4.41Å; L743-I786 PolarHBondContact N-O 3.18Å; L743-I786 PolarHBondContact O-N 2.89Å; L745-I786 HydrophobicContact CD1-CB 4.23Å; L745-I786 HydrophobicContact CD1-CG2 4.06Å; L745-I786 HydrophobicContact CD2-CG2 3.88Å; L745-I786 HydrophobicContact CG-CG2 4.03Å; I786-L788 HydrophobicContact CD1-CD2 4.18Å; I786-L788 HydrophobicContact CG1-CD2 4.17Å; I786-L788 HydrophobicContact CG2-CD2 4.25Å; I786-L788 HydrophobicContact CG2-CG 4.38Å; I786-K861 HydrophobicContact CD1-CD 3.65Å; I786-L863 HydrophobicContact CD1-CD1 3.65Å |
| 787 | M | 89.7 | Confident | 66.4 | Low | 48 Ų | 48 | 71.1 Ų | 71.1 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.8 | 169.3 | -165 | 66.6 | 78.4 | 0 | 0 | 110.1 | V689 A690 L732 W742 K861 | V689-M787 HydrophobicContact CG1-CE 3.99Å; A690-M787 HydrophobicContact CB-CE 4.36Å; L732-M787 HydrophobicContact CD1-CE 3.73Å; L732-M787 HydrophobicContact CD1-SD 4.25Å; W742-M787 HydrophobicContact CB-CE 3.88Å; W742-M787 HydrophobicContact CB-SD 3.88Å; W742-M787 HydrophobicContact CG-CE 3.95Å; W742-M787 HydrophobicContact CG-SD 4.39Å; M787-K861 PolarHBondContact O-NZ 2.95Å |
| 788 | L | 90.4 | Very high | 69.3 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.2 | 171.7 | -52.5 | -178.5 | 0 | 0 | 0 | 108.6 | S740 V741 L743 I786 I854 Q857 L858 K861 | S740-L788 CarbonylContact C-O 3.59Å; S740-L788 VanDerWaalsContact CA-O 3.3Å; S740-L788 WeakPolarHBondContact CA-O 3.37Å; V741-L788 PolarHBondContact N-O 3.05Å; V741-L788 PolarHBondContact O-N 3.34Å; L743-L788 HydrophobicContact CD1-CD1 3.61Å; L743-L788 HydrophobicContact CD1-CG 4.28Å; I786-L788 HydrophobicContact CD1-CD2 4.18Å; I786-L788 HydrophobicContact CG1-CD2 4.17Å; I786-L788 HydrophobicContact CG2-CD2 4.25Å; I786-L788 HydrophobicContact CG2-CG 4.38Å; L788-I854 HydrophobicContact CD1-CG2 4.13Å; L788-Q857 HydrophobicContact CB-CB 4.16Å; L788-Q857 HydrophobicContact CD1-CB 4.19Å; L788-Q857 HydrophobicContact CD2-CB 4.24Å; L788-Q857 HydrophobicContact CG-CB 4.43Å; L788-L858 HydrophobicContact CD1-CD2 3.76Å; L788-L858 HydrophobicContact CD1-CG 3.74Å; L788-K861 HydrophobicContact CD2-CD 3.86Å |
| 789 | S | 89.2 | Confident | 72.1 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 41% | 0.406 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.3 | 178.3 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | L739 S740 Q857 | L739-S789 CarbonylContact O-C 3.57Å; L739-S789 WeakPolarHBondContact O-CA 3.3Å; S740-S789 WeakPolarHBondContact CB-OG 3.42Å; S789-Q857 PolarHBondContact O-NE2 3.4Å |
| 790 | F | 87.3 | Confident | 74.8 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 140.1 | 175.9 | 52 | -88.3 | 0 | 0 | 0 | 111.4 | L739 V741 L792 A850 H853 I854 | L739-F790 HydrophobicContact CB-CD2 4.49Å; L739-F790 HydrophobicContact CB-CE2 4.12Å; L739-F790 HydrophobicContact CB-CZ 4.35Å; L739-F790 HydrophobicContact CD2-CE2 3.84Å; L739-F790 HydrophobicContact CD2-CZ 3.74Å; L739-F790 HydrophobicContact CG-CE2 4.33Å; L739-F790 HydrophobicContact CG-CZ 4.15Å; L739-F790 PolarHBondContact N-O 2.91Å; L739-F790 PolarHBondContact O-N 3.4Å; L739-F790 VanDerWaalsContact O-O 3.12Å; V741-F790 HydrophobicContact CG2-CE1 3.92Å; V741-F790 HydrophobicContact CG2-CZ 4.22Å; F790-L792 HydrophobicContact CD2-CD2 4.32Å; F790-L792 HydrophobicContact CE2-CD2 4.11Å; F790-A850 HydrophobicContact CE2-CB 4.24Å; F790-A850 HydrophobicContact CZ-CB 4.28Å; F790-H853 HydrophobicContact CB-CB 4.11Å; F790-H853 HydrophobicContact CD1-CB 4.11Å; F790-H853 HydrophobicContact CD2-CB 3.49Å; F790-H853 VanDerWaalsContact CD2-CB 3.49Å; F790-H853 AromaticContact CD2-CD2 3.62Å; F790-H853 AromaticContact CD2-CG 3.82Å; F790-H853 HydrophobicContact CE1-CB 4.42Å; F790-H853 HydrophobicContact CE2-CB 3.83Å; F790-H853 AromaticContact CE2-CD2 3.89Å; F790-H853 HydrophobicContact CG-CB 3.64Å; F790-H853 HydrophobicContact CZ-CB 4.28Å; F790-I854 HydrophobicContact CE1-CD1 4.46Å; F790-I854 HydrophobicContact CE1-CG1 3.63Å; F790-I854 HydrophobicContact CZ-CD1 4.4Å; F790-I854 HydrophobicContact CZ-CG1 3.89Å |
| 791 | E | 83.5 | Confident | 77.2 | Confident | 157 Ų | 157 | 47.6 Ų | 47.6 | 73% | 0.734 | 26% | 0.259 | S | S | * | . | trans | -68.2 | 134.6 | 178.5 | -69.1 | 167.4 | -150.6 | 0 | 0 | 110.8 | ||||
| 792 | L | 75.6 | Confident | 79.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -92.1 | 105.6 | 165.6 | -65.5 | -179.6 | 0 | 0 | 0 | 107.5 | Y733 L739 F790 G794 P798 L808 | Y733-L792 HydrophobicContact CD2-CD1 4.17Å; Y733-L792 HydrophobicContact CE2-CD1 4.07Å; L739-L792 HydrophobicContact CB-CD1 3.96Å; L739-L792 HydrophobicContact CB-CD2 4.45Å; L739-L792 HydrophobicContact CB-CG 4Å; L739-L792 HydrophobicContact CD2-CD1 4.37Å; F790-L792 HydrophobicContact CD2-CD2 4.32Å; F790-L792 HydrophobicContact CE2-CD2 4.11Å; L792-G794 PolarHBondContact O-N 3.19Å; L792-P798 HydrophobicContact CD1-CB 4.5Å; L792-P798 HydrophobicContact CD1-CG 3.85Å; L792-L808 HydrophobicContact CD1-CD1 3.87Å; L792-L808 HydrophobicContact CD2-CD1 3.56Å; L792-L808 HydrophobicContact CG-CD1 4.39Å | ||
| 793 | G | 67.1 | Low | 80.7 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | trans | -48.1 | 129.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D795 | G793-D795 PolarHBondContact O-N 2.79Š| ||
| 794 | G | 63.9 | Low | 81.5 | Confident | 69 Ų | 69 | 43.9 Ų | 43.9 | 71% | 0.711 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 9.7 | -140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | L792 | L792-G794 PolarHBondContact O-N 3.19Š|
| 795 | D | 69.3 | Low | 81.8 | Confident | 102 Ų | 102 | 36 Ų | 36 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -14.5 | 179.3 | -46.5 | -12.1 | 0 | 0 | 0 | 113.7 | G793 L812 K846 | G793-D795 PolarHBondContact O-N 2.79Å; D795-L812 HydrophobicContact CB-CD1 4.1Å; D795-K846 HydrophobicContact CB-CD 4.44Å; D795-K846 IonicContact OD2-NZ 3.67Å; D795-K846 PolarHBondContact OD2-NZ 2.63Å |
| 796 | L | 79.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | trans | -118.5 | 106.2 | -166.2 | -177 | 70.1 | 0 | 0 | 0 | 112.1 | P798 L808 K846 R848 | L796-P798 WeakPolarHBondContact O-CD 3.25Å; L796-L808 HydrophobicContact CD2-CB 4.31Å; L796-K846 HydrophobicContact CD1-CB 3.92Å; L796-K846 HydrophobicContact CD1-CG 4.12Å; L796-K846 WeakPolarHBondContact CD1-O 3.29Å; L796-R848 HydrophobicContact CD2-CB 3.51Å; L796-R848 HydrophobicContact CD2-CG 4.36Å | ||
| 797 | Y | 86.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.4 | 162.7 | -165.3 | -73.4 | 0 | 0 | 0 | 109.8 | M1 A316 L318 E694 I695 Y733 L799 G810 | M1-Y797 HydrophobicContact CB-CE1 4.49Å; M1-Y797 HydrophobicContact CE-CD2 4.48Å; M1-Y797 HydrophobicContact CE-CE2 3.63Å; M1-Y797 HydrophobicContact CG-CD1 3.77Å; M1-Y797 HydrophobicContact CG-CD2 4.35Å; M1-Y797 HydrophobicContact CG-CE1 3.24Å; M1-Y797 HydrophobicContact CG-CE2 3.85Å; M1-Y797 HydrophobicContact CG-CG 4.33Å; M1-Y797 HydrophobicContact SD-CE1 4.08Å; M1-Y797 HydrophobicContact SD-CE2 4.06Å; M1-Y797 VanDerWaalsContact SD-CZ 3.55Å; M1-Y797 PolarHBondContact SD-OH 2.84Å; A316-Y797 HydrophobicContact CB-CD2 4.37Å; L318-Y797 HydrophobicContact CD2-CD2 3.51Å; L318-Y797 HydrophobicContact CD2-CE2 4.13Å; L318-Y797 HydrophobicContact CD2-CG 4.16Å; E694-Y797 VanDerWaalsContact OE2-CE2 3.26Å; E694-Y797 WeakPolarHBondContact OE2-CE2 3.34Å; E694-Y797 PolarHBondContact OE2-OH 2.83Å; I695-Y797 HydrophobicContact CD1-CE1 3.53Å; I695-Y797 WeakPolarHBondContact CD1-OH 3.4Å; Y733-Y797 HydrophobicContact CD1-CE2 4.21Å; Y733-Y797 AromaticContact CD1-CZ 3.88Å; Y733-Y797 AromaticContact CE1-CD2 3.93Å; Y733-Y797 HydrophobicContact CE1-CD2 3.93Å; Y733-Y797 HydrophobicContact CE1-CE1 4.23Å; Y733-Y797 AromaticContact CE1-CE2 3.29Å; Y733-Y797 HydrophobicContact CE1-CE2 3.29Å; Y733-Y797 AromaticContact CE1-CZ 3.43Å; Y733-Y797 VanDerWaalsContact CE1-CZ 3.43Å; Y733-Y797 AromaticContact CZ-CE2 3.92Å; Y797-L799 HydrophobicContact CD1-CD2 3.79Å; Y797-L799 HydrophobicContact CD1-CG 4.43Å; Y797-L799 HydrophobicContact CE1-CD2 3.9Å; Y797-G810 WeakPolarHBondContact O-CA 3.43Å |
| 798 | P | 88.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 132.8 | -178.7 | 30.8 | -34.1 | 0 | 0 | 0 | 111.7 | W697 Y733 L792 L796 | W697-P798 HydrophobicContact CH2-CB 4.28Å; W697-P798 HydrophobicContact CH2-CG 4.18Å; Y733-P798 HydrophobicContact CD1-CG 4.4Å; Y733-P798 HydrophobicContact CD2-CG 3.48Å; Y733-P798 VanDerWaalsContact CD2-CG 3.48Å; Y733-P798 HydrophobicContact CE2-CG 3.82Å; Y733-P798 HydrophobicContact CG-CG 3.8Å; L792-P798 HydrophobicContact CD1-CB 4.5Å; L792-P798 HydrophobicContact CD1-CG 3.85Å; L796-P798 WeakPolarHBondContact O-CD 3.25Å |
| 799 | L | 88.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -33.8 | 175.7 | -64.8 | -179 | 0 | 0 | 0 | 112.2 | M1 Y3 I410 I422 L424 W697 Y797 V809 I811 | M1-L799 HydrophobicContact CG-CD2 4.44Å; Y3-L799 HydrophobicContact CE2-CD1 4.15Å; I410-L799 HydrophobicContact CD1-CD2 4.19Å; I422-L799 HydrophobicContact CD1-CB 4.33Å; I422-L799 HydrophobicContact CG1-CB 4.17Å; I422-L799 HydrophobicContact CG2-CD1 4.26Å; L424-L799 HydrophobicContact CD2-CD1 4.03Å; W697-L799 PolarHBondContact NE1-O 3.38Å; Y797-L799 HydrophobicContact CD1-CD2 3.79Å; Y797-L799 HydrophobicContact CD1-CG 4.43Å; Y797-L799 HydrophobicContact CE1-CD2 3.9Å; L799-V809 PolarHBondContact N-O 3.47Å; L799-I811 HydrophobicContact CD1-CB 4.25Å; L799-I811 HydrophobicContact CD1-CD1 4.02Å; L799-I811 HydrophobicContact CD1-CG1 4.06Å |
| 800 | S | 88.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.4 | 176.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | H419 L420 V809 | H419-S800 PolarHBondContact O-OG 3.3Å; L420-S800 PolarHBondContact O-OG 2.84Å; S800-V809 PolarHBondContact N-O 3.2Å; S800-V809 PolarHBondContact O-N 3.19Å |
| 801 | I | 85.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.9 | -174.9 | -50.4 | -174.8 | 0 | 0 | 0 | 109 | W697 W731 F803 L808 | W697-I801 HydrophobicContact CD2-CD1 3.65Å; W697-I801 HydrophobicContact CD2-CG1 4.09Å; W697-I801 HydrophobicContact CE3-CD1 3.7Å; W697-I801 HydrophobicContact CG-CD1 4.07Å; W697-I801 HydrophobicContact CG-CG1 4.39Å; W697-I801 HydrophobicContact CH2-CD1 4.37Å; W697-I801 HydrophobicContact CZ2-CD1 4.32Å; W697-I801 HydrophobicContact CZ2-CG1 4.25Å; W697-I801 HydrophobicContact CZ3-CD1 4.07Å; W731-I801 HydrophobicContact CB-CD1 3.89Å; W731-I801 HydrophobicContact CD2-CD1 4.03Å; W731-I801 HydrophobicContact CE3-CD1 3.7Å; W731-I801 HydrophobicContact CE3-CG2 4.34Å; W731-I801 HydrophobicContact CG-CD1 4.15Å; W731-I801 HydrophobicContact CZ3-CD1 4.48Å; W731-I801 HydrophobicContact CZ3-CG2 4.3Å; I801-F803 HydrophobicContact CB-CD1 4.26Å; I801-F803 HydrophobicContact CB-CE1 3.75Å; I801-F803 HydrophobicContact CB-CE2 4.36Å; I801-F803 HydrophobicContact CB-CZ 3.8Å; I801-F803 HydrophobicContact CD1-CE1 4.24Å; I801-F803 HydrophobicContact CD1-CZ 4.46Å; I801-F803 HydrophobicContact CG2-CD1 3.6Å; I801-F803 HydrophobicContact CG2-CE1 3.46Å; I801-F803 VanDerWaalsContact CG2-CE1 3.46Å; I801-F803 HydrophobicContact CG2-CG 4.3Å; I801-F803 HydrophobicContact CG2-CZ 4.05Å; I801-F803 WeakPolarHBondContact O-CD2 3.42Å; I801-F803 PolarHBondContact O-N 3.15Å; I801-F803 VanDerWaalsContact O-N 3.15Å; I801-L808 HydrophobicContact CB-CD2 4.43Å; I801-L808 HydrophobicContact CD1-CD2 3.86Å; I801-L808 HydrophobicContact CG1-CD2 3.75Å; I801-L808 HydrophobicContact CG2-CD2 4.1Å |
| 802 | C | 84.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 82 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 108.9 | Q804 E805 G806 L807 | C802-Q804 VanDerWaalsContact C-N 3.3Å; C802-Q804 PolarHBondContact O-N 2.74Å; C802-E805 HydrophobicContact CB-CB 4.01Å; C802-E805 WeakPolarHBondContact CB-OE2 3.5Å; C802-E805 CarbonylContact O-C 3.56Å; C802-E805 WeakPolarHBondContact O-CA 3.5Å; C802-E805 PolarHBondContact O-N 2.9Å; C802-G806 PolarHBondContact O-N 3.08Å; C802-L807 HydrophobicContact CB-CB 4.28Å; C802-L807 PolarHBondContact N-O 3.07Å |
| 803 | F | 79.2 | Confident | 81.5 | Confident | 18 Ų | 18 | 23.9 Ų | 23.9 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37.4 | -169.5 | -61.3 | -68.9 | 0 | 0 | 0 | 114.9 | W697 T699 F702 W731 I801 E805 Y874 | W697-F803 HydrophobicContact CB-CZ 3.86Å; W697-F803 HydrophobicContact CG-CZ 4.47Å; T699-F803 HydrophobicContact CG2-CB 4.48Å; T699-F803 HydrophobicContact CG2-CD1 3.45Å; T699-F803 VanDerWaalsContact CG2-CD1 3.45Å; T699-F803 HydrophobicContact CG2-CD2 4.08Å; T699-F803 HydrophobicContact CG2-CE1 3.54Å; T699-F803 HydrophobicContact CG2-CE2 4.17Å; T699-F803 HydrophobicContact CG2-CG 3.74Å; T699-F803 HydrophobicContact CG2-CZ 3.91Å; F702-F803 HydrophobicContact CD2-CD2 4.18Å; F702-F803 AromaticContact CD2-CE2 3.71Å; F702-F803 HydrophobicContact CD2-CE2 3.71Å; F702-F803 AromaticContact CE2-CE2 3.88Å; F702-F803 HydrophobicContact CE2-CE2 3.88Å; W731-F803 AromaticContact CD1-CE1 3.65Å; W731-F803 HydrophobicContact CD2-CE1 4.06Å; W731-F803 AromaticContact CE2-CE1 3.89Å; W731-F803 AromaticContact CG-CE1 3.92Å; W731-F803 HydrophobicContact CG-CE1 3.92Å; W731-F803 HydrophobicContact CZ2-CD1 4.34Å; W731-F803 AromaticContact NE1-CD1 3.9Å; W731-F803 AromaticContact NE1-CE1 3.66Å; I801-F803 HydrophobicContact CB-CD1 4.26Å; I801-F803 HydrophobicContact CB-CE1 3.75Å; I801-F803 HydrophobicContact CB-CE2 4.36Å; I801-F803 HydrophobicContact CB-CZ 3.8Å; I801-F803 HydrophobicContact CD1-CE1 4.24Å; I801-F803 HydrophobicContact CD1-CZ 4.46Å; I801-F803 HydrophobicContact CG2-CD1 3.6Å; I801-F803 HydrophobicContact CG2-CE1 3.46Å; I801-F803 VanDerWaalsContact CG2-CE1 3.46Å; I801-F803 HydrophobicContact CG2-CG 4.3Å; I801-F803 HydrophobicContact CG2-CZ 4.05Å; I801-F803 WeakPolarHBondContact O-CD2 3.42Å; I801-F803 PolarHBondContact O-N 3.15Å; I801-F803 VanDerWaalsContact O-N 3.15Å; F803-E805 PolarHBondContact O-N 2.92Å; F803-Y874 WeakPolarHBondContact O-CE1 3.33Å; F803-Y874 PolarHBondContact O-OH 2.88Å; F803-Y874 VanDerWaalsContact O-OH 3.06Å |
| 804 | Q | 77 | Confident | 82.1 | Confident | 125 Ų | 125 | 25.7 Ų | 25.7 | 58% | 0.584 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.8 | 177.9 | -69.1 | 166 | -59.5 | 0 | 0 | 113 | C802 | C802-Q804 VanDerWaalsContact C-N 3.3Å; C802-Q804 PolarHBondContact O-N 2.74Å |
| 805 | E | 77.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 25.5 Ų | 25.5 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -12.5 | -172.8 | -70.1 | 173.3 | 178 | 0 | 0 | 112.7 | T439 C802 F803 L807 L877 Y879 | T439-E805 WeakPolarHBondContact CG2-OE1 3.32Å; T439-E805 WeakPolarHBondContact CG2-OE2 3.5Å; C802-E805 HydrophobicContact CB-CB 4.01Å; C802-E805 WeakPolarHBondContact CB-OE2 3.5Å; C802-E805 CarbonylContact O-C 3.56Å; C802-E805 WeakPolarHBondContact O-CA 3.5Å; C802-E805 PolarHBondContact O-N 2.9Å; F803-E805 PolarHBondContact O-N 2.92Å; E805-L807 HydrophobicContact CB-CD1 4.02Å; E805-L807 HydrophobicContact CB-CG 3.94Å; E805-L807 PolarHBondContact O-N 3.39Å; E805-L877 WeakPolarHBondContact O-CD1 3.49Å; E805-Y879 WeakPolarHBondContact CA-OH 3.26Å; E805-Y879 VanDerWaalsContact CB-OH 3.31Å; E805-Y879 WeakPolarHBondContact CB-OH 3.19Å; E805-Y879 PolarHBondContact O-OH 3.33Å |
| 806 | G | 77.9 | Confident | 82.3 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C802 A850 | C802-G806 PolarHBondContact O-N 3.08Å; G806-A850 PolarHBondContact O-N 3.26Å; G806-A850 VanDerWaalsContact O-N 3.08Å |
| 807 | L | 85.2 | Confident | 81.3 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.2 | -174.7 | -57.3 | 177.3 | 0 | 0 | 0 | 111.9 | C802 E805 I847 V849 Y879 | C802-L807 HydrophobicContact CB-CB 4.28Å; C802-L807 PolarHBondContact N-O 3.07Å; E805-L807 HydrophobicContact CB-CD1 4.02Å; E805-L807 HydrophobicContact CB-CG 3.94Å; E805-L807 PolarHBondContact O-N 3.39Å; L807-I847 HydrophobicContact CB-CG2 4.02Å; L807-I847 HydrophobicContact CD1-CG2 4.13Å; L807-I847 HydrophobicContact CD2-CG2 4.08Å; L807-I847 HydrophobicContact CG-CG2 4.29Å; L807-V849 HydrophobicContact CD2-CG2 3.77Å; L807-Y879 HydrophobicContact CD2-CE2 4.13Å |
| 808 | L | 87.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.3 | 162 | -61.4 | 175.4 | 0 | 0 | 0 | 109 | W731 L739 L792 L796 I801 I847 R848 A850 | W731-L808 HydrophobicContact CZ3-CD2 4.22Å; L739-L808 HydrophobicContact CD2-CD1 3.65Å; L739-L808 HydrophobicContact CD2-CD2 3.81Å; L739-L808 HydrophobicContact CD2-CG 4.34Å; L792-L808 HydrophobicContact CD1-CD1 3.87Å; L792-L808 HydrophobicContact CD2-CD1 3.56Å; L792-L808 HydrophobicContact CG-CD1 4.39Å; L796-L808 HydrophobicContact CD2-CB 4.31Å; I801-L808 HydrophobicContact CB-CD2 4.43Å; I801-L808 HydrophobicContact CD1-CD2 3.86Å; I801-L808 HydrophobicContact CG1-CD2 3.75Å; I801-L808 HydrophobicContact CG2-CD2 4.1Å; L808-I847 WeakPolarHBondContact O-CA 3.12Å; L808-R848 PolarHBondContact N-O 3.42Å; L808-R848 PolarHBondContact O-N 2.92Å; L808-A850 HydrophobicContact CD1-CB 3.71Å; L808-A850 HydrophobicContact CD2-CB 4.45Å; L808-A850 HydrophobicContact CG-CB 3.74Å |
| 809 | V | 87.6 | Confident | 77 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.3 | -178.1 | -164.9 | 0 | 0 | 0 | 0 | 108 | I422 L438 L799 S800 T845 I847 | I422-V809 HydrophobicContact CD1-CB 3.95Å; I422-V809 HydrophobicContact CD1-CG1 3.35Å; I422-V809 HydrophobicContact CG1-CG1 4.32Å; L438-V809 HydrophobicContact CD1-CB 4.3Å; L438-V809 HydrophobicContact CD1-CG1 3.81Å; L438-V809 HydrophobicContact CD1-CG2 4.01Å; L438-V809 HydrophobicContact CD2-CG1 4.01Å; L799-V809 PolarHBondContact N-O 3.47Å; S800-V809 PolarHBondContact N-O 3.2Å; S800-V809 PolarHBondContact O-N 3.19Å; V809-T845 HydrophobicContact CG1-CG2 3.77Å; V809-I847 HydrophobicContact CG1-CD1 4.16Å; V809-I847 HydrophobicContact CG1-CG1 3.99Å; V809-I847 HydrophobicContact CG2-CD1 4.26Å; V809-I847 HydrophobicContact CG2-CG1 4.41Å |
| 810 | G | 88.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y797 K846 | Y797-G810 WeakPolarHBondContact O-CA 3.43Å; G810-K846 PolarHBondContact N-O 3.44Å; G810-K846 PolarHBondContact O-N 2.9Å |
| 811 | I | 86.3 | Confident | 71.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.3 | 171.2 | -69.8 | 177.7 | 0 | 0 | 0 | 108.5 | Y3 I422 L424 L799 L843 L844 | Y3-I811 HydrophobicContact CD1-CG2 3.89Å; Y3-I811 HydrophobicContact CE1-CB 4.02Å; Y3-I811 HydrophobicContact CE1-CG2 3.88Å; Y3-I811 WeakPolarHBondContact CE1-O 3.33Å; Y3-I811 HydrophobicContact CE2-CB 4.45Å; Y3-I811 HydrophobicContact CG-CG2 4.27Å; I422-I811 HydrophobicContact CG2-CD1 3.54Å; I422-I811 HydrophobicContact CG2-CG1 4Å; L424-I811 HydrophobicContact CD1-CD1 3.64Å; L424-I811 HydrophobicContact CD2-CD1 4.04Å; L424-I811 HydrophobicContact CG-CD1 3.77Å; L799-I811 HydrophobicContact CD1-CB 4.25Å; L799-I811 HydrophobicContact CD1-CD1 4.02Å; L799-I811 HydrophobicContact CD1-CG1 4.06Å; I811-L843 HydrophobicContact CG2-CB 4.11Å; I811-L843 HydrophobicContact CG2-CD2 3.94Å; I811-L844 WeakPolarHBondContact CA-O 3.5Å |
| 812 | L | 84 | Confident | 69.5 | Low | 45 Ų | 45 | 60.1 Ų | 60.1 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143.7 | 164.4 | 177.9 | 146.7 | 0 | 0 | 0 | 108 | D795 E814 L844 K846 | D795-L812 HydrophobicContact CB-CD1 4.1Å; L812-E814 HydrophobicContact CD2-CB 4.29Å; L812-L844 HydrophobicContact CD2-CD1 4.5Å; L812-L844 PolarHBondContact N-O 3.03Å; L812-L844 PolarHBondContact O-N 3.34Å; L812-K846 HydrophobicContact CB-CB 4.43Å; L812-K846 HydrophobicContact CB-CD 4.31Å; L812-K846 HydrophobicContact CD1-CD 3.93Å |
| 813 | N | 80.9 | Confident | 67.2 | Low | 18 Ų | 18 | 65.1 Ų | 65.1 | 10% | 0.096 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.9 | 174.8 | -149.7 | 7.1 | 0 | 0 | 0 | 109.4 | Y3 L4 F815 T842 | Y3-N813 HydrophobicContact CD1-CB 4.41Å; L4-N813 WeakPolarHBondContact CB-ND2 3.2Å; L4-N813 PolarHBondContact N-ND2 3.01Å; L4-N813 PolarHBondContact O-ND2 3.39Å; L4-N813 PolarHBondContact O-OD1 2.97Å; L4-N813 VanDerWaalsContact O-OD1 3.13Å; N813-F815 HydrophobicContact CB-CE2 3.85Å; N813-F815 HydrophobicContact CB-CZ 3.84Å; N813-F815 VanDerWaalsContact ND2-CZ 3.32Å; N813-F815 WeakPolarHBondContact ND2-CZ 3.39Å; N813-F815 WeakPolarHBondContact O-CD2 3.42Å; N813-F815 VanDerWaalsContact O-CE2 3.23Å; N813-F815 WeakPolarHBondContact O-CE2 3.29Å; N813-T842 PolarHBondContact OD1-O 2.84Å |
| 814 | E | 78.7 | Confident | 64.9 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 149.9 | 174.8 | -175.6 | 179.3 | -164 | 0 | 0 | 109.6 | L812 H816 T842 L844 | L812-E814 HydrophobicContact CD2-CB 4.29Å; E814-H816 IonicContact OE1-CE1 2.9Å; E814-H816 PolarHBondContact OE1-CE1 3.25Å; E814-H816 VanDerWaalsContact OE1-CE1 3.27Å; E814-H816 IonicContact OE1-ND1 3.79Å; E814-H816 IonicContact OE2-CE1 2.74Å; E814-H816 PolarHBondContact OE2-CE1 2.92Å; E814-H816 VanDerWaalsContact OE2-CE1 3.26Å; E814-H816 IonicContact OE2-NE2 3.02Å; E814-T842 PolarHBondContact N-O 2.91Å; E814-T842 PolarHBondContact O-N 2.99Å; E814-T842 PolarHBondContact O-OG1 3.25Å; E814-L844 HydrophobicContact CB-CD1 4.19Å; E814-L844 HydrophobicContact CB-CG 4.31Å; E814-L844 WeakPolarHBondContact OE2-CD1 3.44Å |
| 815 | F | 73.2 | Confident | 62.7 | Low | 64 Ų | 64 | 72 Ų | 72 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 94.9 | -173 | -69.5 | -73.5 | 0 | 0 | 0 | 111.5 | L4 Y319 N813 P839 Y840 | L4-F815 HydrophobicContact CB-CE1 4.1Å; L4-F815 HydrophobicContact CB-CZ 4.44Å; L4-F815 HydrophobicContact CD1-CE1 3.75Å; L4-F815 HydrophobicContact CD1-CZ 3.99Å; Y319-F815 HydrophobicContact CD2-CD2 4.15Å; Y319-F815 AromaticContact CD2-CE1 3.91Å; Y319-F815 HydrophobicContact CD2-CE1 3.91Å; Y319-F815 AromaticContact CD2-CE2 3.32Å; Y319-F815 HydrophobicContact CD2-CE2 3.32Å; Y319-F815 AromaticContact CD2-CZ 3.16Å; Y319-F815 HydrophobicContact CD2-CZ 3.16Å; Y319-F815 HydrophobicContact CE2-CD1 4.08Å; Y319-F815 HydrophobicContact CE2-CD2 4.02Å; Y319-F815 AromaticContact CE2-CE1 3.65Å; Y319-F815 HydrophobicContact CE2-CE1 3.65Å; Y319-F815 AromaticContact CE2-CE2 3.61Å; Y319-F815 HydrophobicContact CE2-CE2 3.61Å; Y319-F815 HydrophobicContact CE2-CG 4.24Å; Y319-F815 AromaticContact CE2-CZ 3.39Å; Y319-F815 HydrophobicContact CE2-CZ 3.39Å; Y319-F815 HydrophobicContact CG-CE2 4.48Å; Y319-F815 HydrophobicContact CG-CZ 4.09Å; N813-F815 HydrophobicContact CB-CE2 3.85Å; N813-F815 HydrophobicContact CB-CZ 3.84Å; N813-F815 VanDerWaalsContact ND2-CZ 3.32Å; N813-F815 WeakPolarHBondContact ND2-CZ 3.39Å; N813-F815 WeakPolarHBondContact O-CD2 3.42Å; N813-F815 VanDerWaalsContact O-CE2 3.23Å; N813-F815 WeakPolarHBondContact O-CE2 3.29Å; F815-P839 HydrophobicContact CB-CB 3.92Å; F815-P839 HydrophobicContact CD1-CB 3.87Å; F815-P839 HydrophobicContact CD1-CG 3.89Å; F815-P839 HydrophobicContact CG-CB 4.3Å; F815-Y840 WeakPolarHBondContact CA-O 3.24Å |
| 816 | H | 65.5 | Low | 60.2 | Low | 85 Ų | 85 | 77.6 Ų | 77.6 | 39% | 0.394 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.7 | 175 | -56.3 | -42.9 | 0 | 0 | 0 | 110.2 | E814 Y840 T842 | E814-H816 IonicContact OE1-CE1 2.9Å; E814-H816 PolarHBondContact OE1-CE1 3.25Å; E814-H816 VanDerWaalsContact OE1-CE1 3.27Å; E814-H816 IonicContact OE1-ND1 3.79Å; E814-H816 IonicContact OE2-CE1 2.74Å; E814-H816 PolarHBondContact OE2-CE1 2.92Å; E814-H816 VanDerWaalsContact OE2-CE1 3.26Å; E814-H816 IonicContact OE2-NE2 3.02Å; H816-Y840 PolarHBondContact N-O 2.94Å; H816-Y840 WeakPolarHBondContact O-CB 3.41Å; H816-Y840 PolarHBondContact O-N 2.93Å; H816-T842 PolarHBondContact CD2-OG1 3.23Å; H816-T842 PolarHBondContact NE2-OG1 3.19Å |
| 817 | R | 57 | Low | 57.9 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | trans | -94.8 | 153.7 | 166.1 | -70 | -176.7 | 177.2 | 139.8 | 0.1 | 110.2 | F329 W819 P839 | F329-R817 VanDerWaalsContact CE2-CZ 3.49Å; R817-W819 PolarHBondContact O-N 3.05Å; R817-P839 HydrophobicContact CG-CB 4.43Å | ||
| 818 | C | 47.3 | Very low | 55.2 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 55% | 0.554 | 45% | 0.446 | S | S | * | . | trans | -72.6 | 71 | 173.9 | -95.6 | 0 | 0 | 0 | 0 | 112.9 | N820 | C818-N820 VanDerWaalsContact C-N 3.32Å; C818-N820 PolarHBondContact O-N 2.71Å | ||
| 819 | W | 38.8 | Very low | 52.7 | Low | 184 Ų | 184 | 98.5 Ų | 98.5 | 70% | 0.697 | 47% | 0.474 | S | S | * | . | trans | -67.8 | 87.9 | 160.9 | -67.9 | 77.4 | 0 | 0 | 0 | 109 | H325 R817 | H325-W819 AromaticContact NE2-CZ2 3.68Å; R817-W819 PolarHBondContact O-N 3.05Å | ||
| 820 | N | 35.1 | Very low | 50.6 | Low | 143 Ų | 143 | 105 Ų | 105 | 77% | 0.765 | 51% | 0.508 | S | S | * | . | trans | 171.7 | 73.1 | 150.6 | -93.9 | -59 | 0 | 0 | 0 | 113.9 | C818 | C818-N820 VanDerWaalsContact C-N 3.32Å; C818-N820 PolarHBondContact O-N 2.71Å | ||
| 821 | K | 33.1 | Very low | 48.6 | Very low | 177 Ų | 177 | 108.1 Ų | 108.1 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | trans | -145.4 | 124.9 | 142.7 | -88 | -170.7 | -177.7 | 175 | 0 | 108 | ||||
| 822 | P | 34.6 | Very low | 46.6 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | trans | -70.5 | 136.7 | 167.6 | 30.4 | -32.8 | 0 | 0 | 0 | 109.2 | V824 | P822-V824 HydrophobicContact CB-CG2 4.09Å; P822-V824 PolarHBondContact O-N 3.09Å | ||
| 823 | L | 36.2 | Very low | 45 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -82 | 54.4 | -161.8 | -151.4 | 65.7 | 0 | 0 | 0 | 113 | W826 | L823-W826 HydrophobicContact CD1-CZ2 4.46Å; L823-W826 HydrophobicContact CD2-CH2 4.28Å; L823-W826 HydrophobicContact CD2-CZ2 3.47Å; L823-W826 VanDerWaalsContact CD2-CZ2 3.47Å; L823-W826 HydrophobicContact CG-CZ2 3.67Å; L823-W826 PolarHBondContact O-NE1 3.2Å |
| 824 | V | 32.2 | Very low | 43.7 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | trans | -112.2 | -6.5 | -158.1 | 179.3 | 0 | 0 | 0 | 0 | 114.5 | P822 | P822-V824 HydrophobicContact CB-CG2 4.09Å; P822-V824 PolarHBondContact O-N 3.09Å | ||
| 825 | H | 29.3 | Very low | 42.7 | Very low | 178 Ų | 178 | 112.2 Ų | 112.2 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | trans | -129.5 | 97.1 | 169.6 | -102.9 | 38.6 | 0 | 0 | 0 | 111.1 | ||||
| 826 | W | 26.5 | Very low | 42 | Very low | 159 Ų | 159 | 112.9 Ų | 112.9 | 60% | 0.602 | 56% | 0.564 | S | S | * | * | trans | -97.8 | 77.8 | 173.3 | -64.5 | 74.5 | 0 | 0 | 0 | 109.3 | L823 | L823-W826 HydrophobicContact CD1-CZ2 4.46Å; L823-W826 HydrophobicContact CD2-CH2 4.28Å; L823-W826 HydrophobicContact CD2-CZ2 3.47Å; L823-W826 VanDerWaalsContact CD2-CZ2 3.47Å; L823-W826 HydrophobicContact CG-CZ2 3.67Å; L823-W826 PolarHBondContact O-NE1 3.2Å | ||
| 827 | K | 29.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 110.9 Ų | 110.9 | 76% | 0.761 | 56% | 0.556 | S | S | * | * | trans | -163.3 | 138.3 | 167 | -108.5 | 163 | -172.3 | -179.6 | 0 | 108.8 | ||||
| 828 | E | 29.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 67.2 | 132.3 | -173.4 | -66.7 | 111.7 | -114 | 0 | 0 | 116.3 | ||
| 829 | D | 34.6 | Very low | 43.5 | Very low | 112 Ų | 112 | 105.1 Ų | 105.1 | 60% | 0.599 | 53% | 0.525 | S | S | * | . | trans | 60.3 | 78.7 | 165 | -56.7 | -9.7 | 0 | 0 | 0 | 122.1 | S831 S832 | D829-S831 VanDerWaalsContact C-N 3.3Å; D829-S831 PolarHBondContact O-N 3.15Å; D829-S832 PolarHBondContact O-N 2.86Å; D829-S832 PolarHBondContact O-OG 2.95Å | ||
| 830 | I | 44 | Very low | 45.3 | Very low | 138 Ų | 138 | 100.3 Ų | 100.3 | 71% | 0.708 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -55.5 | -31.3 | 175.3 | -61 | 168.5 | 0 | 0 | 0 | 114.3 | S832 D833 | I830-S832 PolarHBondContact O-N 2.9Å; I830-S832 VanDerWaalsContact O-N 3.17Å; I830-D833 PolarHBondContact O-N 2.65Å |
| 831 | S | 44.9 | Very low | 47.4 | Very low | 64 Ų | 64 | 93.7 Ų | 93.7 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -61.9 | -25.6 | -175.7 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | D829 D833 | D829-S831 VanDerWaalsContact C-N 3.3Å; D829-S831 PolarHBondContact O-N 3.15Å; S831-D833 PolarHBondContact O-N 2.9Å |
| 832 | S | 44.5 | Very low | 49.8 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -75.3 | -19.7 | -177.2 | 68.8 | 0 | 0 | 0 | 0 | 114.9 | D829 I830 | D829-S832 PolarHBondContact O-N 2.86Å; D829-S832 PolarHBondContact O-OG 2.95Å; I830-S832 PolarHBondContact O-N 2.9Å; I830-S832 VanDerWaalsContact O-N 3.17Å |
| 833 | D | 50.3 | Low | 52.2 | Low | 82 Ų | 82 | 82.7 Ų | 82.7 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -84.1 | -14 | -176.4 | -83.4 | -30.8 | 0 | 0 | 0 | 114.2 | I830 S831 F835 V836 | I830-D833 PolarHBondContact O-N 2.65Å; S831-D833 PolarHBondContact O-N 2.9Å; D833-F835 PolarHBondContact O-N 3.49Å; D833-V836 VanDerWaalsContact O-CB 3.27Å; D833-V836 WeakPolarHBondContact O-CB 3.42Å; D833-V836 WeakPolarHBondContact O-CG2 3.48Å; D833-V836 PolarHBondContact O-N 2.75Å |
| 834 | L | 54.7 | Low | 54.5 | Low | 14 Ų | 14 | 81.7 Ų | 81.7 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.5 | -33.3 | -176.9 | -68.9 | 170.6 | 0 | 0 | 0 | 113 | V10 Y399 V836 L837 F838 | V10-L834 HydrophobicContact CG1-CD1 4.38Å; Y399-L834 HydrophobicContact CD1-CD1 3.75Å; Y399-L834 HydrophobicContact CD1-CD2 4.18Å; Y399-L834 HydrophobicContact CD2-CD2 4.17Å; Y399-L834 HydrophobicContact CE1-CD1 3.62Å; Y399-L834 HydrophobicContact CE1-CD2 3.96Å; Y399-L834 HydrophobicContact CE1-CG 4.4Å; Y399-L834 HydrophobicContact CE2-CD2 3.95Å; Y399-L834 HydrophobicContact CG-CD2 4.29Å; L834-V836 PolarHBondContact O-N 3.12Å; L834-V836 VanDerWaalsContact O-N 3.17Å; L834-L837 HydrophobicContact CD2-CD1 4.27Å; L834-L837 WeakPolarHBondContact O-CB 3.15Å; L834-L837 PolarHBondContact O-N 2.76Å; L834-F838 VanDerWaalsContact O-CD2 3.26Å; L834-F838 WeakPolarHBondContact O-CD2 3.18Å |
| 835 | F | 56.7 | Low | 57 | Low | 69 Ų | 69 | 77.5 Ų | 77.5 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.2 | -8.2 | 176 | -64.2 | -76.8 | 0 | 0 | 0 | 114.2 | W7 D833 | W7-F835 HydrophobicContact CD2-CD1 4.34Å; W7-F835 AromaticContact CE3-CD1 3.95Å; W7-F835 HydrophobicContact CE3-CD1 3.95Å; W7-F835 HydrophobicContact CZ3-CB 4.33Å; W7-F835 HydrophobicContact CZ3-CD1 4.44Å; D833-F835 PolarHBondContact O-N 3.49Å |
| 836 | V | 58.8 | Low | 59.7 | Low | 79 Ų | 79 | 72.2 Ų | 72.2 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -78.4 | -25.9 | 170.9 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | D833 L834 | D833-V836 VanDerWaalsContact O-CB 3.27Å; D833-V836 WeakPolarHBondContact O-CB 3.42Å; D833-V836 WeakPolarHBondContact O-CG2 3.48Å; D833-V836 PolarHBondContact O-N 2.75Å; L834-V836 PolarHBondContact O-N 3.12Å; L834-V836 VanDerWaalsContact O-N 3.17Å |
| 837 | L | 60.8 | Low | 62.5 | Low | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -80.9 | -37.8 | -178.5 | -53.3 | 179.9 | 0 | 0 | 0 | 112.3 | F329 I332 L352 L834 | F329-L837 WeakPolarHBondContact CE1-O 3.25Å; F329-L837 WeakPolarHBondContact CZ-O 3.44Å; I332-L837 HydrophobicContact CD1-CB 4.22Å; I332-L837 HydrophobicContact CD1-CD1 4.31Å; I332-L837 HydrophobicContact CD1-CD2 4.21Å; I332-L837 HydrophobicContact CD1-CG 4.48Å; L352-L837 HydrophobicContact CD1-CD1 3.86Å; L834-L837 HydrophobicContact CD2-CD1 4.27Å; L834-L837 WeakPolarHBondContact O-CB 3.15Å; L834-L837 PolarHBondContact O-N 2.76Å |
| 838 | F | 70.1 | Confident | 65.2 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -95.8 | 135.1 | -174.9 | -56 | -70.4 | 0 | 0 | 0 | 112.1 | W7 P8 V10 F350 V401 F403 L834 | W7-F838 WeakPolarHBondContact CZ3-O 3.49Å; P8-F838 HydrophobicContact CG-CB 3.64Å; P8-F838 HydrophobicContact CG-CD1 4.48Å; P8-F838 HydrophobicContact CG-CG 3.99Å; V10-F838 HydrophobicContact CG2-CE2 4.47Å; F350-F838 AromaticContact CD1-CE1 3.86Å; F350-F838 HydrophobicContact CD1-CE1 3.86Å; F350-F838 HydrophobicContact CD1-CZ 4.3Å; F350-F838 HydrophobicContact CD2-CE1 4.35Å; F350-F838 AromaticContact CE1-CE1 3.9Å; F350-F838 HydrophobicContact CE1-CE1 3.9Å; F350-F838 HydrophobicContact CE2-CE1 4.42Å; F350-F838 HydrophobicContact CG-CE1 4.11Å; F350-F838 HydrophobicContact CG-CZ 4.2Å; F350-F838 HydrophobicContact CZ-CE1 4.22Å; V401-F838 HydrophobicContact CG1-CD1 4.47Å; V401-F838 HydrophobicContact CG1-CE1 4.23Å; V401-F838 HydrophobicContact CG1-CZ 4.35Å; V401-F838 HydrophobicContact CG2-CE1 4.22Å; V401-F838 HydrophobicContact CG2-CE2 4.21Å; V401-F838 HydrophobicContact CG2-CZ 3.71Å; F403-F838 HydrophobicContact CE1-CD1 4.27Å; F403-F838 HydrophobicContact CZ-CD1 4.07Å; F403-F838 HydrophobicContact CZ-CE1 4.32Å; L834-F838 VanDerWaalsContact O-CD2 3.26Å; L834-F838 WeakPolarHBondContact O-CD2 3.18Å |
| 839 | P | 69.6 | Low | 67.9 | Low | 17 Ų | 17 | 55.1 Ų | 55.1 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 147.8 | 176.1 | 33.4 | -34.3 | 0 | 0 | 0 | 112 | F815 R817 | F815-P839 HydrophobicContact CB-CB 3.92Å; F815-P839 HydrophobicContact CD1-CB 3.87Å; F815-P839 HydrophobicContact CD1-CG 3.89Å; F815-P839 HydrophobicContact CG-CB 4.3Å; R817-P839 HydrophobicContact CG-CB 4.43Å |
| 840 | Y | 78.4 | Confident | 70.3 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122 | 169.3 | -178.2 | -103.4 | 0 | 0 | 0 | 110 | G6 W7 F815 H816 T842 | G6-Y840 VanDerWaalsContact CA-CE2 3.4Å; W7-Y840 HydrophobicContact CB-CD2 4.36Å; W7-Y840 AromaticContact CD1-CD2 3.4Å; W7-Y840 VanDerWaalsContact CD1-CD2 3.4Å; W7-Y840 AromaticContact CD1-CE2 3.56Å; W7-Y840 AromaticContact CD2-CD2 3.66Å; W7-Y840 HydrophobicContact CD2-CD2 3.66Å; W7-Y840 HydrophobicContact CD2-CG 4.37Å; W7-Y840 AromaticContact CE2-CD2 3.51Å; W7-Y840 HydrophobicContact CE3-CD2 4.48Å; W7-Y840 AromaticContact CG-CD2 3.57Å; W7-Y840 HydrophobicContact CG-CD2 3.57Å; W7-Y840 HydrophobicContact CG-CE2 4.11Å; W7-Y840 HydrophobicContact CZ2-CD2 4.21Å; W7-Y840 HydrophobicContact CZ2-CG 4.34Å; W7-Y840 AromaticContact NE1-CD2 3.34Å; W7-Y840 VanDerWaalsContact NE1-CD2 3.34Å; W7-Y840 AromaticContact NE1-CE2 3.66Å; F815-Y840 WeakPolarHBondContact CA-O 3.24Å; H816-Y840 PolarHBondContact N-O 2.94Å; H816-Y840 WeakPolarHBondContact O-CB 3.41Å; H816-Y840 PolarHBondContact O-N 2.93Å; Y840-T842 HydrophobicContact CD1-CG2 3.8Å; Y840-T842 HydrophobicContact CE1-CG2 3.51Å |
| 841 | G | 77.7 | Confident | 72.3 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G6 | G6-G841 PolarHBondContact N-O 3.33Å; G6-G841 PolarHBondContact O-N 3.45Å |
| 842 | T | 83.7 | Confident | 74.4 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.1 | 175.8 | 32 | 0 | 0 | 0 | 0 | 111.9 | N813 E814 H816 Y840 | N813-T842 PolarHBondContact OD1-O 2.84Å; E814-T842 PolarHBondContact N-O 2.91Å; E814-T842 PolarHBondContact O-N 2.99Å; E814-T842 PolarHBondContact O-OG1 3.25Å; H816-T842 PolarHBondContact CD2-OG1 3.23Å; H816-T842 PolarHBondContact NE2-OG1 3.19Å; Y840-T842 HydrophobicContact CD1-CG2 3.8Å; Y840-T842 HydrophobicContact CE1-CG2 3.51Å |
| 843 | L | 86.3 | Confident | 76.6 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.141 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.7 | 179.9 | -54.9 | 177.4 | 0 | 0 | 0 | 110.8 | Y3 V5 L424 I431 I811 | Y3-L843 HydrophobicContact CG-CD2 4.18Å; V5-L843 HydrophobicContact CG2-CD1 3.71Å; V5-L843 HydrophobicContact CG2-CD2 3.91Å; V5-L843 HydrophobicContact CG2-CG 3.89Å; L424-L843 HydrophobicContact CD1-CD1 3.63Å; I431-L843 HydrophobicContact CD1-CD1 3.6Å; I431-L843 HydrophobicContact CG2-CD1 4.25Å; I811-L843 HydrophobicContact CG2-CB 4.11Å; I811-L843 HydrophobicContact CG2-CD2 3.94Å |
| 844 | L | 84.2 | Confident | 78.4 | Confident | 84 Ų | 84 | 34.3 Ų | 34.3 | 44% | 0.44 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.8 | 171.8 | -67.6 | -173.5 | 0 | 0 | 0 | 111 | I811 L812 E814 K846 | I811-L844 WeakPolarHBondContact CA-O 3.5Å; L812-L844 HydrophobicContact CD2-CD1 4.5Å; L812-L844 PolarHBondContact N-O 3.03Å; L812-L844 PolarHBondContact O-N 3.34Å; E814-L844 HydrophobicContact CB-CD1 4.19Å; E814-L844 HydrophobicContact CB-CG 4.31Å; E814-L844 WeakPolarHBondContact OE2-CD1 3.44Å; L844-K846 PolarHBondContact O-N 2.98Å |
| 845 | T | 84.8 | Confident | 80.1 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 119.3 | 168.6 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | L438 V809 I847 | L438-T845 HydrophobicContact CD2-CG2 4.12Å; V809-T845 HydrophobicContact CG1-CG2 3.77Å; T845-I847 HydrophobicContact CG2-CG1 4.43Å |
| 846 | K | 85.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 31.1 Ų | 31.1 | 30% | 0.296 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.9 | 178.7 | -170.3 | 164.8 | 179.6 | 163.6 | 0 | 109.2 | D795 L796 G810 L812 L844 | D795-K846 HydrophobicContact CB-CD 4.44Å; D795-K846 IonicContact OD2-NZ 3.67Å; D795-K846 PolarHBondContact OD2-NZ 2.63Å; L796-K846 HydrophobicContact CD1-CB 3.92Å; L796-K846 HydrophobicContact CD1-CG 4.12Å; L796-K846 WeakPolarHBondContact CD1-O 3.29Å; G810-K846 PolarHBondContact N-O 3.44Å; G810-K846 PolarHBondContact O-N 2.9Å; L812-K846 HydrophobicContact CB-CB 4.43Å; L812-K846 HydrophobicContact CB-CD 4.31Å; L812-K846 HydrophobicContact CD1-CD 3.93Å; L844-K846 PolarHBondContact O-N 2.98Å |
| 847 | I | 84.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 29 Ų | 29 | 26% | 0.262 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138 | 179.1 | -56.8 | -159.8 | 0 | 0 | 0 | 109.6 | L438 M442 L807 L808 V809 T845 | L438-I847 HydrophobicContact CB-CD1 4.31Å; M442-I847 HydrophobicContact CE-CD1 3.88Å; M442-I847 HydrophobicContact SD-CD1 3.55Å; M442-I847 VanDerWaalsContact SD-CD1 3.55Å; M442-I847 HydrophobicContact SD-CG1 3.99Å; L807-I847 HydrophobicContact CB-CG2 4.02Å; L807-I847 HydrophobicContact CD1-CG2 4.13Å; L807-I847 HydrophobicContact CD2-CG2 4.08Å; L807-I847 HydrophobicContact CG-CG2 4.29Å; L808-I847 WeakPolarHBondContact O-CA 3.12Å; V809-I847 HydrophobicContact CG1-CD1 4.16Å; V809-I847 HydrophobicContact CG1-CG1 3.99Å; V809-I847 HydrophobicContact CG2-CD1 4.26Å; V809-I847 HydrophobicContact CG2-CG1 4.41Å; T845-I847 HydrophobicContact CG2-CG1 4.43Å |
| 848 | R | 85.4 | Confident | 84.4 | Confident | 77 Ų | 77 | 27.1 Ų | 27.1 | 29% | 0.291 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 130.9 | 175.2 | -175.3 | 172.6 | 177.8 | 150.5 | 1.7 | 110.4 | L796 L808 A850 H853 | L796-R848 HydrophobicContact CD2-CB 3.51Å; L796-R848 HydrophobicContact CD2-CG 4.36Å; L808-R848 PolarHBondContact N-O 3.42Å; L808-R848 PolarHBondContact O-N 2.92Å; R848-A850 PolarHBondContact O-N 3.05Å; R848-H853 PolarHBondContact NH2-NE2 2.87Å |
| 849 | V | 86.1 | Confident | 85.4 | Confident | 20 Ų | 20 | 26.7 Ų | 26.7 | 12% | 0.121 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129 | 167.8 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | L807 L851 H852 I883 | L807-V849 HydrophobicContact CD2-CG2 3.77Å; V849-L851 HydrophobicContact CG1-CB 4.25Å; V849-H852 PolarHBondContact O-CE1 3.44Å; V849-H852 PolarHBondContact O-ND1 3.4Å; V849-I883 HydrophobicContact CG1-CB 4.35Å; V849-I883 HydrophobicContact CG1-CD1 3.97Å; V849-I883 HydrophobicContact CG1-CG1 3.84Å; V849-I883 HydrophobicContact CG1-CG2 3.9Å |
| 850 | A | 83.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -104.1 | -15.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | W731 F790 G806 L808 R848 H852 H853 I854 | W731-A850 HydrophobicContact CZ3-CB 4.48Å; F790-A850 HydrophobicContact CE2-CB 4.24Å; F790-A850 HydrophobicContact CZ-CB 4.28Å; G806-A850 PolarHBondContact O-N 3.26Å; G806-A850 VanDerWaalsContact O-N 3.08Å; L808-A850 HydrophobicContact CD1-CB 3.71Å; L808-A850 HydrophobicContact CD2-CB 4.45Å; L808-A850 HydrophobicContact CG-CB 3.74Å; R848-A850 PolarHBondContact O-N 3.05Å; A850-H852 VanDerWaalsContact C-N 3.26Å; A850-H852 PolarHBondContact O-N 2.88Å; A850-H853 PolarHBondContact O-N 3.06Å; A850-H853 VanDerWaalsContact O-N 3.12Å; A850-I854 PolarHBondContact O-N 3.22Å | ||
| 851 | L | 87.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -33.4 | -172.9 | -175.8 | 62.7 | 0 | 0 | 0 | 113.5 | V849 I854 I855 M870 Y874 I883 | V849-L851 HydrophobicContact CG1-CB 4.25Å; L851-I854 PolarHBondContact O-N 3Å; L851-I855 HydrophobicContact CD1-CD1 4.34Å; L851-I855 HydrophobicContact CD1-CG1 4.42Å; L851-I855 HydrophobicContact CD2-CD1 4.42Å; L851-I855 HydrophobicContact CG-CD1 3.87Å; L851-I855 HydrophobicContact CG-CG1 4.4Å; L851-I855 WeakPolarHBondContact O-CG1 3.45Å; L851-I855 PolarHBondContact O-N 3.39Å; L851-M870 HydrophobicContact CD1-CE 3.78Å; L851-M870 HydrophobicContact CD1-CG 4.22Å; L851-M870 HydrophobicContact CD1-SD 4.08Å; L851-Y874 HydrophobicContact CD1-CD2 3.67Å; L851-Y874 HydrophobicContact CD1-CE2 3.61Å; L851-Y874 HydrophobicContact CD2-CD1 4.41Å; L851-Y874 HydrophobicContact CD2-CD2 3.38Å; L851-Y874 HydrophobicContact CD2-CE2 4.07Å; L851-Y874 HydrophobicContact CD2-CG 3.57Å; L851-Y874 HydrophobicContact CG-CD2 4.19Å; L851-Y874 HydrophobicContact CG-CE2 4.49Å; L851-I883 HydrophobicContact CB-CD1 4.35Å; L851-I883 HydrophobicContact CB-CG2 3.93Å; L851-I883 HydrophobicContact CD2-CD1 3.84Å; L851-I883 HydrophobicContact CD2-CG2 4.24Å; L851-I883 HydrophobicContact CG-CG2 4.17Å |
| 852 | H | 89.2 | Confident | 87 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 177 | 61.4 | -90.8 | 0 | 0 | 0 | 112.4 | V849 A850 I854 I855 R856 I883 L887 E890 | V849-H852 PolarHBondContact O-CE1 3.44Å; V849-H852 PolarHBondContact O-ND1 3.4Å; A850-H852 VanDerWaalsContact C-N 3.26Å; A850-H852 PolarHBondContact O-N 2.88Å; H852-I854 VanDerWaalsContact C-N 3.31Å; H852-I854 PolarHBondContact O-N 3.41Å; H852-I855 PolarHBondContact O-N 2.97Å; H852-R856 VanDerWaalsContact O-CB 3.32Å; H852-R856 WeakPolarHBondContact O-CB 3.45Å; H852-R856 PolarHBondContact O-N 3.02Å; H852-I883 HydrophobicContact CB-CG2 3.95Å; H852-I883 WeakPolarHBondContact CB-O 3.13Å; H852-L887 HydrophobicContact CB-CB 3.97Å; H852-E890 IonicContact CD2-OE2 3.8Å |
| 853 | H | 89.2 | Confident | 87.1 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 175.3 | -61.3 | -43.3 | 0 | 0 | 0 | 112 | F790 R848 A850 R856 Q857 E890 | F790-H853 HydrophobicContact CB-CB 4.11Å; F790-H853 HydrophobicContact CD1-CB 4.11Å; F790-H853 HydrophobicContact CD2-CB 3.49Å; F790-H853 VanDerWaalsContact CD2-CB 3.49Å; F790-H853 AromaticContact CD2-CD2 3.62Å; F790-H853 AromaticContact CD2-CG 3.82Å; F790-H853 HydrophobicContact CE1-CB 4.42Å; F790-H853 HydrophobicContact CE2-CB 3.83Å; F790-H853 AromaticContact CE2-CD2 3.89Å; F790-H853 HydrophobicContact CG-CB 3.64Å; F790-H853 HydrophobicContact CZ-CB 4.28Å; R848-H853 PolarHBondContact NH2-NE2 2.87Å; A850-H853 PolarHBondContact O-N 3.06Å; A850-H853 VanDerWaalsContact O-N 3.12Å; H853-R856 PolarHBondContact O-N 3.09Å; H853-Q857 WeakPolarHBondContact O-CG 3.24Å; H853-Q857 PolarHBondContact O-N 2.81Å; H853-E890 IonicContact CE1-OE1 2.75Å; H853-E890 PolarHBondContact CE1-OE1 3.36Å; H853-E890 IonicContact CE1-OE2 3.88Å; H853-E890 IonicContact ND1-OE1 3.69Å; H853-E890 PolarHBondContact ND1-OE1 3.01Å; H853-E890 IonicContact ND1-OE2 2.64Å; H853-E890 PolarHBondContact ND1-OE2 3.48Å; H853-E890 VanDerWaalsContact ND1-OE2 3.14Å |
| 854 | I | 89 | Confident | 87 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66 | -47.8 | 176.7 | -63.4 | 172.3 | 0 | 0 | 0 | 111 | W731 V741 L743 L788 F790 A850 L851 H852 R856 Q857 L858 M870 | W731-I854 HydrophobicContact CH2-CD1 3.51Å; W731-I854 HydrophobicContact CZ2-CD1 4.07Å; W731-I854 HydrophobicContact CZ3-CD1 4.12Å; V741-I854 HydrophobicContact CG2-CD1 4.39Å; L743-I854 HydrophobicContact CD1-CG2 3.74Å; L788-I854 HydrophobicContact CD1-CG2 4.13Å; F790-I854 HydrophobicContact CE1-CD1 4.46Å; F790-I854 HydrophobicContact CE1-CG1 3.63Å; F790-I854 HydrophobicContact CZ-CD1 4.4Å; F790-I854 HydrophobicContact CZ-CG1 3.89Å; A850-I854 PolarHBondContact O-N 3.22Å; L851-I854 PolarHBondContact O-N 3Å; H852-I854 VanDerWaalsContact C-N 3.31Å; H852-I854 PolarHBondContact O-N 3.41Å; I854-R856 VanDerWaalsContact C-N 3.33Å; I854-R856 PolarHBondContact O-N 3.25Å; I854-Q857 PolarHBondContact O-N 2.89Å; I854-L858 HydrophobicContact CG2-CD1 4.25Å; I854-L858 WeakPolarHBondContact O-CG 3.39Å; I854-L858 PolarHBondContact O-N 2.85Å; I854-M870 HydrophobicContact CD1-CE 4.31Å; I854-M870 HydrophobicContact CG2-CE 3.92Å; I854-M870 HydrophobicContact CG2-SD 3.66Å |
| 855 | I | 90.5 | Very high | 87 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.5 | -68.9 | 165.1 | 0 | 0 | 0 | 110.2 | L851 H852 Q857 L858 L859 A867 S871 L884 L887 F913 | L851-I855 HydrophobicContact CD1-CD1 4.34Å; L851-I855 HydrophobicContact CD1-CG1 4.42Å; L851-I855 HydrophobicContact CD2-CD1 4.42Å; L851-I855 HydrophobicContact CG-CD1 3.87Å; L851-I855 HydrophobicContact CG-CG1 4.4Å; L851-I855 WeakPolarHBondContact O-CG1 3.45Å; L851-I855 PolarHBondContact O-N 3.39Å; H852-I855 PolarHBondContact O-N 2.97Å; I855-Q857 VanDerWaalsContact C-N 3.32Å; I855-Q857 PolarHBondContact O-N 2.8Å; I855-L858 PolarHBondContact O-N 2.74Å; I855-L859 HydrophobicContact CG2-CD1 3.78Å; I855-L859 HydrophobicContact CG2-CG 4.3Å; I855-L859 WeakPolarHBondContact O-CB 3.2Å; I855-L859 WeakPolarHBondContact O-CG 3.43Å; I855-L859 PolarHBondContact O-N 3.15Å; I855-A867 HydrophobicContact CG2-CB 4.34Å; I855-S871 VanDerWaalsContact CD1-OG 3.3Å; I855-S871 WeakPolarHBondContact CD1-OG 3.24Å; I855-L884 HydrophobicContact CD1-CD2 4.45Å; I855-L887 HydrophobicContact CB-CD2 4.36Å; I855-L887 HydrophobicContact CG2-CD1 4.38Å; I855-L887 HydrophobicContact CG2-CD2 3.52Å; I855-F913 HydrophobicContact CG2-CD1 4.37Å; I855-F913 HydrophobicContact CG2-CE1 3.73Å; I855-F913 HydrophobicContact CG2-CZ 4.03Å |
| 856 | R | 90.3 | Very high | 87.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -43.2 | 176.3 | -166.9 | -179 | -171.6 | -170.1 | 12.3 | 112.3 | H852 H853 I854 R860 L887 E890 V891 L906 | H852-R856 VanDerWaalsContact O-CB 3.32Å; H852-R856 WeakPolarHBondContact O-CB 3.45Å; H852-R856 PolarHBondContact O-N 3.02Å; H853-R856 PolarHBondContact O-N 3.09Å; I854-R856 VanDerWaalsContact C-N 3.33Å; I854-R856 PolarHBondContact O-N 3.25Å; R856-R860 WeakPolarHBondContact O-CB 3.21Å; R856-R860 WeakPolarHBondContact O-CG 3.22Å; R856-R860 PolarHBondContact O-N 2.93Å; R856-L887 HydrophobicContact CB-CD1 3.67Å; R856-L887 HydrophobicContact CG-CD1 4.2Å; R856-E890 VanDerWaalsContact CD-OE2 3.27Å; R856-E890 WeakPolarHBondContact CD-OE2 3.45Å; R856-E890 IonicContact CZ-OE2 3.54Å; R856-E890 IonicContact NE-OE2 3.76Å; R856-E890 IonicContact NH1-OE1 3.64Å; R856-E890 PolarHBondContact NH1-OE1 3.43Å; R856-E890 IonicContact NH1-OE2 2.67Å; R856-E890 PolarHBondContact NH1-OE2 3.19Å; R856-E890 PolarHBondContact NH2-O 3.4Å; R856-V891 HydrophobicContact CG-CG2 3.97Å; R856-L906 HydrophobicContact CG-CD2 3.89Å |
| 857 | Q | 88.3 | Confident | 87.3 | Confident | 36 Ų | 36 | 31.9 Ų | 31.9 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.9 | -26.9 | 179.3 | -67.2 | -67.5 | 20.6 | 0 | 0 | 113.6 | L788 S789 H853 I854 I855 K861 | L788-Q857 HydrophobicContact CB-CB 4.16Å; L788-Q857 HydrophobicContact CD1-CB 4.19Å; L788-Q857 HydrophobicContact CD2-CB 4.24Å; L788-Q857 HydrophobicContact CG-CB 4.43Å; S789-Q857 PolarHBondContact O-NE2 3.4Å; H853-Q857 WeakPolarHBondContact O-CG 3.24Å; H853-Q857 PolarHBondContact O-N 2.81Å; I854-Q857 PolarHBondContact O-N 2.89Å; I855-Q857 VanDerWaalsContact C-N 3.32Å; I855-Q857 PolarHBondContact O-N 2.8Å; Q857-K861 WeakPolarHBondContact O-CG 3.41Å; Q857-K861 PolarHBondContact O-N 3.44Å |
| 858 | L | 88.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.3 | -45.6 | 169.7 | -73.1 | 170.8 | 0 | 0 | 0 | 111.2 | L788 I854 I855 K861 N862 L863 A867 M870 | L788-L858 HydrophobicContact CD1-CD2 3.76Å; L788-L858 HydrophobicContact CD1-CG 3.74Å; I854-L858 HydrophobicContact CG2-CD1 4.25Å; I854-L858 WeakPolarHBondContact O-CG 3.39Å; I854-L858 PolarHBondContact O-N 2.85Å; I855-L858 PolarHBondContact O-N 2.74Å; L858-K861 CarbonylContact O-C 3.57Å; L858-K861 PolarHBondContact O-N 3.39Å; L858-K861 VanDerWaalsContact O-N 3.15Å; L858-N862 PolarHBondContact O-N 3.18Å; L858-L863 HydrophobicContact CB-CB 4.34Å; L858-L863 HydrophobicContact CD2-CB 4.04Å; L858-L863 HydrophobicContact CD2-CD1 3.96Å; L858-L863 WeakPolarHBondContact O-CB 3.48Å; L858-L863 PolarHBondContact O-N 3.27Å; L858-A867 HydrophobicContact CB-CB 3.85Å; L858-A867 HydrophobicContact CD1-CB 4.12Å; L858-M870 HydrophobicContact CD1-SD 4.26Å |
| 859 | L | 89.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 176.4 | -69 | 173.1 | 0 | 0 | 0 | 111.2 | I855 K861 N862 A867 L887 L906 Q909 V910 F913 | I855-L859 HydrophobicContact CG2-CD1 3.78Å; I855-L859 HydrophobicContact CG2-CG 4.3Å; I855-L859 WeakPolarHBondContact O-CB 3.2Å; I855-L859 WeakPolarHBondContact O-CG 3.43Å; I855-L859 PolarHBondContact O-N 3.15Å; L859-K861 PolarHBondContact O-N 2.94Å; L859-N862 WeakPolarHBondContact O-CA 3.44Å; L859-N862 PolarHBondContact O-N 2.89Å; L859-A867 HydrophobicContact CD2-CB 4.23Å; L859-A867 HydrophobicContact CG-CB 4.29Å; L859-L887 HydrophobicContact CD1-CD2 4.48Å; L859-L906 HydrophobicContact CB-CD1 4.48Å; L859-Q909 VanDerWaalsContact C-OE1 3.24Å; L859-Q909 HydrophobicContact CD2-CG 4.18Å; L859-Q909 PolarHBondContact O-NE2 2.97Å; L859-Q909 PolarHBondContact O-OE1 2.84Å; L859-V910 HydrophobicContact CD1-CG2 3.84Å; L859-F913 HydrophobicContact CD1-CB 4.4Å; L859-F913 HydrophobicContact CD1-CD1 4.23Å; L859-F913 HydrophobicContact CD1-CG 4.16Å; L859-F913 HydrophobicContact CD2-CB 4.37Å; L859-F913 HydrophobicContact CD2-CD2 3.97Å; L859-F913 HydrophobicContact CD2-CG 4.2Å |
| 860 | R | 87.9 | Confident | 87.3 | Confident | 113 Ų | 113 | 27.6 Ų | 27.6 | 43% | 0.426 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.7 | 173.2 | -83 | 175.8 | 165.7 | 170.1 | -4 | 115.2 | R856 L906 | R856-R860 WeakPolarHBondContact O-CB 3.21Å; R856-R860 WeakPolarHBondContact O-CG 3.22Å; R856-R860 PolarHBondContact O-N 2.93Å; R860-L906 HydrophobicContact CB-CD1 4.31Å; R860-L906 HydrophobicContact CG-CD1 3.64Å; R860-L906 HydrophobicContact CG-CD2 3.76Å; R860-L906 HydrophobicContact CG-CG 4.34Å |
| 861 | K | 86 | Confident | 87.4 | Confident | 97 Ų | 97 | 27.6 Ų | 27.6 | 42% | 0.422 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 15 | 177.4 | -63.7 | -172.8 | -175.3 | -171.6 | 0 | 112.8 | I786 M787 L788 Q857 L858 L859 L863 | I786-K861 HydrophobicContact CD1-CD 3.65Å; M787-K861 PolarHBondContact O-NZ 2.95Å; L788-K861 HydrophobicContact CD2-CD 3.86Å; Q857-K861 WeakPolarHBondContact O-CG 3.41Å; Q857-K861 PolarHBondContact O-N 3.44Å; L858-K861 CarbonylContact O-C 3.57Å; L858-K861 PolarHBondContact O-N 3.39Å; L858-K861 VanDerWaalsContact O-N 3.15Å; L859-K861 PolarHBondContact O-N 2.94Å; K861-L863 HydrophobicContact CB-CD1 4.36Å; K861-L863 HydrophobicContact CB-CG 4.21Å; K861-L863 PolarHBondContact O-N 2.81Å |
| 862 | N | 86.1 | Confident | 87.4 | Confident | 110 Ų | 110 | 30.9 Ų | 30.9 | 59% | 0.588 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.3 | -174.8 | -67.8 | -40.7 | 0 | 0 | 0 | 114.5 | L858 L859 G864 Q909 | L858-N862 PolarHBondContact O-N 3.18Å; L859-N862 WeakPolarHBondContact O-CA 3.44Å; L859-N862 PolarHBondContact O-N 2.89Å; N862-G864 VanDerWaalsContact C-N 3.31Å; N862-G864 PolarHBondContact O-N 2.69Å; N862-Q909 PolarHBondContact OD1-NE2 3.45Å |
| 863 | L | 86.1 | Confident | 87 | Confident | 39 Ų | 39 | 31.2 Ų | 31.2 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | trans | -94.5 | 37.5 | 178.3 | -60.1 | -177.2 | 0 | 0 | 0 | 112.4 | L745 I786 L858 K861 I865 H866 A867 | L745-L863 HydrophobicContact CD1-CD1 3.87Å; L745-L863 HydrophobicContact CD2-CD1 4.37Å; I786-L863 HydrophobicContact CD1-CD1 3.65Å; L858-L863 HydrophobicContact CB-CB 4.34Å; L858-L863 HydrophobicContact CD2-CB 4.04Å; L858-L863 HydrophobicContact CD2-CD1 3.96Å; L858-L863 WeakPolarHBondContact O-CB 3.48Å; L858-L863 PolarHBondContact O-N 3.27Å; K861-L863 HydrophobicContact CB-CD1 4.36Å; K861-L863 HydrophobicContact CB-CG 4.21Å; K861-L863 PolarHBondContact O-N 2.81Å; L863-I865 VanDerWaalsContact C-N 3.28Å; L863-I865 PolarHBondContact O-N 3.23Å; L863-H866 PolarHBondContact O-N 3.09Å; L863-A867 PolarHBondContact O-N 3.49Å | ||
| 864 | G | 84.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.3 | -34.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N862 H866 A867 F868 | N862-G864 VanDerWaalsContact C-N 3.31Å; N862-G864 PolarHBondContact O-N 2.69Å; G864-H866 VanDerWaalsContact C-N 3.31Å; G864-H866 PolarHBondContact O-N 2.83Å; G864-A867 WeakPolarHBondContact O-CB 3.3Å; G864-A867 PolarHBondContact O-N 3.32Å; G864-F868 WeakPolarHBondContact O-CB 3.42Å; G864-F868 PolarHBondContact O-N 2.61Å |
| 865 | I | 84.7 | Confident | 86.6 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 175.4 | -59.7 | 172.1 | 0 | 0 | 0 | 111.2 | V748 A753 F756 L863 F868 Q869 | V748-I865 HydrophobicContact CB-CG2 4.4Å; V748-I865 HydrophobicContact CG1-CG2 3.9Å; V748-I865 HydrophobicContact CG2-CG2 3.94Å; A753-I865 HydrophobicContact CB-CD1 4.47Å; F756-I865 HydrophobicContact CB-CG1 4.41Å; F756-I865 HydrophobicContact CD2-CG1 3.8Å; F756-I865 HydrophobicContact CE2-CG1 4.49Å; F756-I865 HydrophobicContact CG-CG1 4.31Å; L863-I865 VanDerWaalsContact C-N 3.28Å; L863-I865 PolarHBondContact O-N 3.23Å; I865-F868 PolarHBondContact O-N 2.86Å; I865-Q869 WeakPolarHBondContact O-CG 3.45Å; I865-Q869 PolarHBondContact O-N 2.77Å |
| 866 | H | 86.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.8 | -35.6 | 177.1 | -60.8 | -50.9 | 0 | 0 | 0 | 112 | Y725 L745 P746 L863 G864 F868 Q869 M870 | Y725-H866 HydrophobicContact CE1-CB 4.34Å; Y725-H866 WeakPolarHBondContact OH-CA 3.09Å; Y725-H866 VanDerWaalsContact OH-CB 3.29Å; Y725-H866 WeakPolarHBondContact OH-CB 3.46Å; Y725-H866 PolarHBondContact OH-ND1 3.01Å; L745-H866 HydrophobicContact CD2-CB 4.32Å; P746-H866 PolarHBondContact O-CE1 3.42Å; P746-H866 VanDerWaalsContact O-CE1 3.27Å; L863-H866 PolarHBondContact O-N 3.09Å; G864-H866 VanDerWaalsContact C-N 3.31Å; G864-H866 PolarHBondContact O-N 2.83Å; H866-F868 PolarHBondContact O-N 3.31Å; H866-Q869 PolarHBondContact O-N 3.25Å; H866-M870 WeakPolarHBondContact O-CB 3.41Å; H866-M870 PolarHBondContact O-N 2.9Å |
| 867 | A | 88.9 | Confident | 86 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I855 L858 L859 L863 G864 S871 F913 | I855-A867 HydrophobicContact CG2-CB 4.34Å; L858-A867 HydrophobicContact CB-CB 3.85Å; L858-A867 HydrophobicContact CD1-CB 4.12Å; L859-A867 HydrophobicContact CD2-CB 4.23Å; L859-A867 HydrophobicContact CG-CB 4.29Å; L863-A867 PolarHBondContact O-N 3.49Å; G864-A867 WeakPolarHBondContact O-CB 3.3Å; G864-A867 PolarHBondContact O-N 3.32Å; A867-S871 VanDerWaalsContact O-CB 3.28Å; A867-S871 WeakPolarHBondContact O-CB 3.22Å; A867-S871 PolarHBondContact O-N 2.86Å; A867-S871 PolarHBondContact O-OG 2.83Å; A867-F913 HydrophobicContact CB-CE2 3.85Å; A867-F913 HydrophobicContact CB-CZ 4.1Å |
| 868 | F | 87.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.8 | -49.8 | 177.5 | -173.5 | -114.6 | 0 | 0 | 0 | 111.2 | F756 G864 I865 H866 M870 S871 L872 F913 E916 F917 | F756-F868 HydrophobicContact CE2-CB 4.16Å; F756-F868 HydrophobicContact CE2-CD1 4.02Å; F756-F868 HydrophobicContact CE2-CG 4.11Å; F756-F868 HydrophobicContact CZ-CB 3.85Å; F756-F868 HydrophobicContact CZ-CD1 4.09Å; F756-F868 HydrophobicContact CZ-CD2 4.1Å; F756-F868 AromaticContact CZ-CG 3.76Å; F756-F868 HydrophobicContact CZ-CG 3.76Å; G864-F868 WeakPolarHBondContact O-CB 3.42Å; G864-F868 PolarHBondContact O-N 2.61Å; I865-F868 PolarHBondContact O-N 2.86Å; H866-F868 PolarHBondContact O-N 3.31Å; F868-M870 VanDerWaalsContact C-N 3.34Å; F868-M870 PolarHBondContact O-N 2.92Å; F868-S871 CarbonylContact O-C 3.57Å; F868-S871 WeakPolarHBondContact O-CA 3.14Å; F868-S871 WeakPolarHBondContact O-CB 3.44Å; F868-S871 PolarHBondContact O-N 3.07Å; F868-L872 HydrophobicContact CD1-CD1 4.04Å; F868-L872 HydrophobicContact CD1-CG 4.46Å; F868-L872 HydrophobicContact CE1-CD1 3.75Å; F868-L872 HydrophobicContact CE1-CD2 4.47Å; F868-L872 HydrophobicContact CE1-CG 4.27Å; F868-L872 HydrophobicContact CE2-CD2 4.39Å; F868-L872 HydrophobicContact CZ-CD1 4.23Å; F868-L872 HydrophobicContact CZ-CD2 4.11Å; F868-L872 HydrophobicContact CZ-CG 4.34Å; F868-L872 WeakPolarHBondContact O-CG 3.3Å; F868-L872 PolarHBondContact O-N 3.37Å; F868-F913 HydrophobicContact CB-CE2 3.92Å; F868-F913 HydrophobicContact CD2-CE2 4.34Å; F868-E916 HydrophobicContact CD2-CB 4.46Å; F868-E916 HydrophobicContact CE2-CB 3.75Å; F868-E916 HydrophobicContact CE2-CG 4.33Å; F868-E916 HydrophobicContact CZ-CB 4.43Å; F868-F917 HydrophobicContact CD2-CE1 4.17Å; F868-F917 HydrophobicContact CD2-CE2 4.49Å; F868-F917 AromaticContact CD2-CZ 3.85Å; F868-F917 HydrophobicContact CD2-CZ 3.85Å; F868-F917 HydrophobicContact CE2-CD1 4.45Å; F868-F917 AromaticContact CE2-CE1 3.96Å; F868-F917 HydrophobicContact CE2-CE1 3.96Å; F868-F917 HydrophobicContact CE2-CZ 4.01Å |
| 869 | Q | 83.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 177.1 | -71.1 | 170.1 | -3 | 0 | 0 | 112.9 | Y725 V748 I865 H866 S871 L872 A873 | Y725-Q869 HydrophobicContact CE2-CB 3.81Å; Y725-Q869 PolarHBondContact OH-OE1 3Å; V748-Q869 VanDerWaalsContact CG1-NE2 3.28Å; I865-Q869 WeakPolarHBondContact O-CG 3.45Å; I865-Q869 PolarHBondContact O-N 2.77Å; H866-Q869 PolarHBondContact O-N 3.25Å; Q869-S871 VanDerWaalsContact C-N 3.32Å; Q869-L872 PolarHBondContact O-N 3.13Å; Q869-A873 PolarHBondContact O-N 3.26Å |
| 870 | M | 85.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 173.3 | -170.5 | 175.4 | -167.5 | 0 | 0 | 111.3 | Y725 L743 L851 I854 L858 H866 F868 A873 Y874 | Y725-M870 HydrophobicContact CD2-CB 4.28Å; Y725-M870 HydrophobicContact CG-CB 4.34Å; Y725-M870 HydrophobicContact CG-CG 4.41Å; L743-M870 HydrophobicContact CD2-CE 4.12Å; L851-M870 HydrophobicContact CD1-CE 3.78Å; L851-M870 HydrophobicContact CD1-CG 4.22Å; L851-M870 HydrophobicContact CD1-SD 4.08Å; I854-M870 HydrophobicContact CD1-CE 4.31Å; I854-M870 HydrophobicContact CG2-CE 3.92Å; I854-M870 HydrophobicContact CG2-SD 3.66Å; L858-M870 HydrophobicContact CD1-SD 4.26Å; H866-M870 WeakPolarHBondContact O-CB 3.41Å; H866-M870 PolarHBondContact O-N 2.9Å; F868-M870 VanDerWaalsContact C-N 3.34Å; F868-M870 PolarHBondContact O-N 2.92Å; M870-A873 VanDerWaalsContact O-CB 3.31Å; M870-A873 WeakPolarHBondContact O-CB 3.36Å; M870-A873 PolarHBondContact O-N 3.27Å; M870-Y874 HydrophobicContact CE-CE2 3.91Å; M870-Y874 HydrophobicContact CG-CD2 4.25Å; M870-Y874 HydrophobicContact CG-CE2 3.95Å; M870-Y874 WeakPolarHBondContact O-CD2 3.49Å; M870-Y874 PolarHBondContact O-N 3.4Å |
| 871 | S | 87.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | I855 A867 F868 Q869 A873 Y874 Q875 F913 | I855-S871 VanDerWaalsContact CD1-OG 3.3Å; I855-S871 WeakPolarHBondContact CD1-OG 3.24Å; A867-S871 VanDerWaalsContact O-CB 3.28Å; A867-S871 WeakPolarHBondContact O-CB 3.22Å; A867-S871 PolarHBondContact O-N 2.86Å; A867-S871 PolarHBondContact O-OG 2.83Å; F868-S871 CarbonylContact O-C 3.57Å; F868-S871 WeakPolarHBondContact O-CA 3.14Å; F868-S871 WeakPolarHBondContact O-CB 3.44Å; F868-S871 PolarHBondContact O-N 3.07Å; Q869-S871 VanDerWaalsContact C-N 3.32Å; S871-A873 VanDerWaalsContact C-N 3.26Å; S871-A873 PolarHBondContact O-N 3.41Å; S871-Y874 CarbonylContact O-C 3.52Å; S871-Y874 PolarHBondContact O-N 2.97Å; S871-Y874 VanDerWaalsContact O-N 3.12Å; S871-Q875 PolarHBondContact O-N 3.21Å; S871-F913 WeakPolarHBondContact OG-CZ 3.43Å |
| 872 | L | 85.7 | Confident | 85.8 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 38% | 0.382 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.5 | -36.3 | 171.6 | -66.6 | 176.5 | 0 | 0 | 0 | 111.9 | F868 Q869 Y874 Q875 F917 | F868-L872 HydrophobicContact CD1-CD1 4.04Å; F868-L872 HydrophobicContact CD1-CG 4.46Å; F868-L872 HydrophobicContact CE1-CD1 3.75Å; F868-L872 HydrophobicContact CE1-CD2 4.47Å; F868-L872 HydrophobicContact CE1-CG 4.27Å; F868-L872 HydrophobicContact CE2-CD2 4.39Å; F868-L872 HydrophobicContact CZ-CD1 4.23Å; F868-L872 HydrophobicContact CZ-CD2 4.11Å; F868-L872 HydrophobicContact CZ-CG 4.34Å; F868-L872 WeakPolarHBondContact O-CG 3.3Å; F868-L872 PolarHBondContact O-N 3.37Å; Q869-L872 PolarHBondContact O-N 3.13Å; L872-Y874 VanDerWaalsContact C-N 3.28Å; L872-Y874 PolarHBondContact O-N 3.33Å; L872-Q875 WeakPolarHBondContact O-CB 3.49Å; L872-Q875 PolarHBondContact O-N 3.23Å; L872-F917 HydrophobicContact CD2-CE1 4.34Å |
| 873 | A | 81 | Confident | 86 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A722 Q869 M870 S871 H876 | A722-A873 HydrophobicContact CB-CB 3.91Å; Q869-A873 PolarHBondContact O-N 3.26Å; M870-A873 VanDerWaalsContact O-CB 3.31Å; M870-A873 WeakPolarHBondContact O-CB 3.36Å; M870-A873 PolarHBondContact O-N 3.27Å; S871-A873 VanDerWaalsContact C-N 3.26Å; S871-A873 PolarHBondContact O-N 3.41Å; A873-H876 PolarHBondContact O-CE1 3.07Å; A873-H876 VanDerWaalsContact O-CE1 3.28Å; A873-H876 PolarHBondContact O-ND1 3.12Å |
| 874 | Y | 84.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -95.5 | -1.4 | -177.8 | -66.5 | -69.6 | 0 | 0 | 0 | 114.6 | T726 F803 L851 M870 S871 L872 H876 L877 | T726-Y874 HydrophobicContact CG2-CE1 4.36Å; T726-Y874 HydrophobicContact CG2-CE2 4.19Å; T726-Y874 WeakPolarHBondContact CG2-OH 3.49Å; F803-Y874 WeakPolarHBondContact O-CE1 3.33Å; F803-Y874 PolarHBondContact O-OH 2.88Å; F803-Y874 VanDerWaalsContact O-OH 3.06Å; L851-Y874 HydrophobicContact CD1-CD2 3.67Å; L851-Y874 HydrophobicContact CD1-CE2 3.61Å; L851-Y874 HydrophobicContact CD2-CD1 4.41Å; L851-Y874 HydrophobicContact CD2-CD2 3.38Å; L851-Y874 HydrophobicContact CD2-CE2 4.07Å; L851-Y874 HydrophobicContact CD2-CG 3.57Å; L851-Y874 HydrophobicContact CG-CD2 4.19Å; L851-Y874 HydrophobicContact CG-CE2 4.49Å; M870-Y874 HydrophobicContact CE-CE2 3.91Å; M870-Y874 HydrophobicContact CG-CD2 4.25Å; M870-Y874 HydrophobicContact CG-CE2 3.95Å; M870-Y874 WeakPolarHBondContact O-CD2 3.49Å; M870-Y874 PolarHBondContact O-N 3.4Å; S871-Y874 CarbonylContact O-C 3.52Å; S871-Y874 PolarHBondContact O-N 2.97Å; S871-Y874 VanDerWaalsContact O-N 3.12Å; L872-Y874 VanDerWaalsContact C-N 3.28Å; L872-Y874 PolarHBondContact O-N 3.33Å; Y874-H876 PolarHBondContact O-N 2.94Å; Y874-L877 HydrophobicContact CD1-CD1 3.76Å; Y874-L877 HydrophobicContact CG-CD1 4.36Å; Y874-L877 WeakPolarHBondContact O-CB 3.32Å; Y874-L877 WeakPolarHBondContact O-CG 3.44Å; Y874-L877 PolarHBondContact O-N 3.41Å |
| 875 | Q | 86.3 | Confident | 86.7 | Confident | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22 | -179.1 | -171.9 | 179.4 | 6.3 | 0 | 0 | 113.3 | S871 L872 L877 F880 | S871-Q875 PolarHBondContact O-N 3.21Å; L872-Q875 WeakPolarHBondContact O-CB 3.49Å; L872-Q875 PolarHBondContact O-N 3.23Å; Q875-L877 VanDerWaalsContact C-N 3.25Å; Q875-L877 PolarHBondContact O-N 2.7Å; Q875-F880 HydrophobicContact CG-CD1 4.49Å |
| 876 | H | 83.3 | Confident | 86.9 | Confident | 133 Ų | 133 | 37.6 Ų | 37.6 | 62% | 0.616 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.1 | 176.9 | 74.1 | -88.6 | 0 | 0 | 0 | 114.3 | A873 Y874 | A873-H876 PolarHBondContact O-CE1 3.07Å; A873-H876 VanDerWaalsContact O-CE1 3.28Å; A873-H876 PolarHBondContact O-ND1 3.12Å; Y874-H876 PolarHBondContact O-N 2.94Å |
| 877 | L | 83.9 | Confident | 87.2 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -78.7 | 134.7 | -178.3 | -63.3 | 175.4 | 0 | 0 | 0 | 111.5 | E805 Y874 Q875 Y879 F880 | E805-L877 WeakPolarHBondContact O-CD1 3.49Å; Y874-L877 HydrophobicContact CD1-CD1 3.76Å; Y874-L877 HydrophobicContact CG-CD1 4.36Å; Y874-L877 WeakPolarHBondContact O-CB 3.32Å; Y874-L877 WeakPolarHBondContact O-CG 3.44Å; Y874-L877 PolarHBondContact O-N 3.41Å; Q875-L877 VanDerWaalsContact C-N 3.25Å; Q875-L877 PolarHBondContact O-N 2.7Å; L877-Y879 HydrophobicContact CB-CE1 4.48Å; L877-Y879 HydrophobicContact CB-CE2 4.25Å; L877-Y879 HydrophobicContact CD1-CE2 3.92Å; L877-Y879 PolarHBondContact O-N 2.9Å; L877-Y879 VanDerWaalsContact O-N 3.16Å; L877-F880 HydrophobicContact CB-CB 4.41Å; L877-F880 VanDerWaalsContact O-CB 3.23Å; L877-F880 WeakPolarHBondContact O-CB 3.23Å; L877-F880 PolarHBondContact O-N 3.47Å |
| 878 | P | 83 | Confident | 87.3 | Confident | 120 Ų | 120 | 36.3 Ų | 36.3 | 78% | 0.779 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.2 | -174.3 | 26.6 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 879 | Y | 85.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 36.6 Ų | 36.6 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.1 | 175.6 | 52.2 | -95.7 | 0 | 0 | 0 | 113.3 | E805 L807 L877 P881 L882 I883 | E805-Y879 WeakPolarHBondContact CA-OH 3.26Å; E805-Y879 VanDerWaalsContact CB-OH 3.31Å; E805-Y879 WeakPolarHBondContact CB-OH 3.19Å; E805-Y879 PolarHBondContact O-OH 3.33Å; L807-Y879 HydrophobicContact CD2-CE2 4.13Å; L877-Y879 HydrophobicContact CB-CE1 4.48Å; L877-Y879 HydrophobicContact CB-CE2 4.25Å; L877-Y879 HydrophobicContact CD1-CE2 3.92Å; L877-Y879 PolarHBondContact O-N 2.9Å; L877-Y879 VanDerWaalsContact O-N 3.16Å; Y879-P881 VanDerWaalsContact C-CD 3.44Å; Y879-P881 VanDerWaalsContact C-N 3.32Å; Y879-L882 WeakPolarHBondContact O-CA 3.46Å; Y879-L882 WeakPolarHBondContact O-CB 3.41Å; Y879-L882 PolarHBondContact O-N 2.8Å; Y879-I883 HydrophobicContact CD2-CD1 3.98Å; Y879-I883 HydrophobicContact CD2-CG1 4.1Å; Y879-I883 HydrophobicContact CE2-CD1 4.04Å; Y879-I883 PolarHBondContact O-N 3.16Å |
| 880 | F | 89.9 | Confident | 87.6 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.7 | -40.5 | 177.9 | 179.2 | -99.8 | 0 | 0 | 0 | 113.9 | Q875 L877 L882 I883 L884 F917 | Q875-F880 HydrophobicContact CG-CD1 4.49Å; L877-F880 HydrophobicContact CB-CB 4.41Å; L877-F880 VanDerWaalsContact O-CB 3.23Å; L877-F880 WeakPolarHBondContact O-CB 3.23Å; L877-F880 PolarHBondContact O-N 3.47Å; F880-L882 VanDerWaalsContact C-N 3.31Å; F880-L882 PolarHBondContact O-N 3.17Å; F880-I883 HydrophobicContact CD2-CD1 4.37Å; F880-I883 WeakPolarHBondContact O-CB 3.33Å; F880-I883 PolarHBondContact O-N 3.1Å; F880-L884 HydrophobicContact CD1-CD1 4.45Å; F880-L884 HydrophobicContact CE1-CD1 3.59Å; F880-L884 HydrophobicContact CE1-CG 4.15Å; F880-L884 HydrophobicContact CZ-CD1 3.77Å; F880-L884 HydrophobicContact CZ-CD2 4.25Å; F880-L884 HydrophobicContact CZ-CG 4.01Å; F880-L884 PolarHBondContact O-N 2.97Å; F880-F917 HydrophobicContact CE1-CD1 4.07Å; F880-F917 HydrophobicContact CE1-CE1 4.13Å; F880-F917 HydrophobicContact CE1-CG 4.4Å; F880-F917 HydrophobicContact CZ-CD1 4.33Å; F880-F917 AromaticContact CZ-CE1 3.92Å; F880-F917 HydrophobicContact CZ-CE1 3.92Å; F880-F917 HydrophobicContact CZ-CZ 4.05Å |
| 881 | P | 89.6 | Confident | 87.8 | Confident | 27 Ų | 27 | 38 Ų | 38 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -38.2 | 173.4 | -25.4 | 35.9 | 0 | 0 | 0 | 113.7 | Y879 I883 L884 E885 I923 | Y879-P881 VanDerWaalsContact C-CD 3.44Å; Y879-P881 VanDerWaalsContact C-N 3.32Å; P881-I883 VanDerWaalsContact C-N 3.27Å; P881-I883 PolarHBondContact O-N 2.99Å; P881-L884 PolarHBondContact O-N 3.07Å; P881-E885 WeakPolarHBondContact O-CB 3.26Å; P881-E885 PolarHBondContact O-N 3.4Å; P881-I923 HydrophobicContact CB-CD1 4.34Å; P881-I923 HydrophobicContact CB-CG1 3.99Å |
| 882 | L | 89 | Confident | 87.8 | Confident | 74 Ų | 74 | 38 Ų | 38 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.5 | -27.7 | 176.4 | 179.7 | 63.9 | 0 | 0 | 0 | 112.1 | Y879 F880 E885 L886 | Y879-L882 WeakPolarHBondContact O-CA 3.46Å; Y879-L882 WeakPolarHBondContact O-CB 3.41Å; Y879-L882 PolarHBondContact O-N 2.8Å; F880-L882 VanDerWaalsContact C-N 3.31Å; F880-L882 PolarHBondContact O-N 3.17Å; L882-E885 HydrophobicContact CD1-CB 4.45Å; L882-E885 WeakPolarHBondContact CD1-OE2 3.34Å; L882-E885 PolarHBondContact O-N 3Å; L882-L886 HydrophobicContact CD1-CG 4.46Å; L882-L886 HydrophobicContact CG-CD1 4.39Å; L882-L886 WeakPolarHBondContact O-CB 3.28Å; L882-L886 VanDerWaalsContact O-CG 3.27Å; L882-L886 WeakPolarHBondContact O-CG 3.27Å; L882-L886 PolarHBondContact O-N 3.02Å |
| 883 | I | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 173.6 | -49.2 | -173.1 | 0 | 0 | 0 | 110.3 | V849 L851 H852 Y879 F880 P881 E885 L886 L887 | V849-I883 HydrophobicContact CG1-CB 4.35Å; V849-I883 HydrophobicContact CG1-CD1 3.97Å; V849-I883 HydrophobicContact CG1-CG1 3.84Å; V849-I883 HydrophobicContact CG1-CG2 3.9Å; L851-I883 HydrophobicContact CB-CD1 4.35Å; L851-I883 HydrophobicContact CB-CG2 3.93Å; L851-I883 HydrophobicContact CD2-CD1 3.84Å; L851-I883 HydrophobicContact CD2-CG2 4.24Å; L851-I883 HydrophobicContact CG-CG2 4.17Å; H852-I883 HydrophobicContact CB-CG2 3.95Å; H852-I883 WeakPolarHBondContact CB-O 3.13Å; Y879-I883 HydrophobicContact CD2-CD1 3.98Å; Y879-I883 HydrophobicContact CD2-CG1 4.1Å; Y879-I883 HydrophobicContact CE2-CD1 4.04Å; Y879-I883 PolarHBondContact O-N 3.16Å; F880-I883 HydrophobicContact CD2-CD1 4.37Å; F880-I883 WeakPolarHBondContact O-CB 3.33Å; F880-I883 PolarHBondContact O-N 3.1Å; P881-I883 VanDerWaalsContact C-N 3.27Å; P881-I883 PolarHBondContact O-N 2.99Å; I883-E885 VanDerWaalsContact C-N 3.35Å; I883-L886 PolarHBondContact O-N 3.48Å; I883-L887 WeakPolarHBondContact O-CB 3.48Å; I883-L887 PolarHBondContact O-N 3.09Å |
| 884 | L | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.6 | -30.5 | 176.4 | -62.9 | -177 | 0 | 0 | 0 | 112.2 | I855 F880 P881 L887 L888 F913 I914 F917 I923 | I855-L884 HydrophobicContact CD1-CD2 4.45Å; F880-L884 HydrophobicContact CD1-CD1 4.45Å; F880-L884 HydrophobicContact CE1-CD1 3.59Å; F880-L884 HydrophobicContact CE1-CG 4.15Å; F880-L884 HydrophobicContact CZ-CD1 3.77Å; F880-L884 HydrophobicContact CZ-CD2 4.25Å; F880-L884 HydrophobicContact CZ-CG 4.01Å; F880-L884 PolarHBondContact O-N 2.97Å; P881-L884 PolarHBondContact O-N 3.07Å; L884-L887 HydrophobicContact CD2-CD2 4.14Å; L884-L887 PolarHBondContact O-N 3.39Å; L884-L888 WeakPolarHBondContact O-CB 3.45Å; L884-L888 PolarHBondContact O-N 3.5Å; L884-F913 HydrophobicContact CD2-CE1 4.01Å; L884-I914 HydrophobicContact CB-CD1 4.38Å; L884-I914 HydrophobicContact CB-CG1 4.32Å; L884-I914 HydrophobicContact CD2-CG1 4.49Å; L884-F917 HydrophobicContact CD1-CD2 3.74Å; L884-F917 HydrophobicContact CD1-CE2 3.86Å; L884-F917 HydrophobicContact CD1-CG 4.43Å; L884-I923 HydrophobicContact CB-CD1 3.85Å; L884-I923 HydrophobicContact CB-CG1 4.47Å; L884-I923 HydrophobicContact CB-CG2 4.12Å; L884-I923 HydrophobicContact CD1-CD1 3.81Å; L884-I923 HydrophobicContact CG-CD1 4.44Å |
| 885 | E | 92 | Very high | 87.9 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 172.2 | -158.1 | -159.6 | 149.2 | 0 | 0 | 111.4 | P881 L882 I883 L888 H889 I923 H926 C927 K930 | P881-E885 WeakPolarHBondContact O-CB 3.26Å; P881-E885 PolarHBondContact O-N 3.4Å; L882-E885 HydrophobicContact CD1-CB 4.45Å; L882-E885 WeakPolarHBondContact CD1-OE2 3.34Å; L882-E885 PolarHBondContact O-N 3Å; I883-E885 VanDerWaalsContact C-N 3.35Å; E885-L888 PolarHBondContact O-N 2.81Å; E885-H889 WeakPolarHBondContact O-CB 3.36Å; E885-H889 PolarHBondContact O-N 2.91Å; E885-I923 HydrophobicContact CB-CG2 4.22Å; E885-H926 HydrophobicContact CG-CB 4.23Å; E885-H926 VanDerWaalsContact OE1-C 3.24Å; E885-C927 HydrophobicContact CG-CB 3.83Å; E885-C927 PolarHBondContact OE1-N 2.89Å; E885-K930 VanDerWaalsContact CD-NZ 3.28Å; E885-K930 VanDerWaalsContact OE1-CD 3.27Å; E885-K930 WeakPolarHBondContact OE1-CD 3.2Å; E885-K930 WeakPolarHBondContact OE1-CE 3.21Å; E885-K930 IonicContact OE1-NZ 3.34Å; E885-K930 PolarHBondContact OE1-NZ 2.85Å; E885-K930 IonicContact OE2-NZ 2.66Å; E885-K930 PolarHBondContact OE2-NZ 2.78Å |
| 886 | L | 89.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 175 | -72.4 | 168.8 | 0 | 0 | 0 | 112.1 | L882 I883 L888 H889 E890 | L882-L886 HydrophobicContact CD1-CG 4.46Å; L882-L886 HydrophobicContact CG-CD1 4.39Å; L882-L886 WeakPolarHBondContact O-CB 3.28Å; L882-L886 VanDerWaalsContact O-CG 3.27Å; L882-L886 WeakPolarHBondContact O-CG 3.27Å; L882-L886 PolarHBondContact O-N 3.02Å; I883-L886 PolarHBondContact O-N 3.48Å; L886-L888 PolarHBondContact O-N 2.73Å; L886-H889 PolarHBondContact O-N 3.4Å; L886-E890 VanDerWaalsContact O-CB 3.29Å; L886-E890 WeakPolarHBondContact O-CB 3.41Å; L886-E890 PolarHBondContact O-N 2.95Å |
| 887 | L | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 174 | 173.1 | 65 | 0 | 0 | 0 | 111.6 | H852 I855 R856 L859 I883 L884 V891 V910 F913 | H852-L887 HydrophobicContact CB-CB 3.97Å; I855-L887 HydrophobicContact CB-CD2 4.36Å; I855-L887 HydrophobicContact CG2-CD1 4.38Å; I855-L887 HydrophobicContact CG2-CD2 3.52Å; R856-L887 HydrophobicContact CB-CD1 3.67Å; R856-L887 HydrophobicContact CG-CD1 4.2Å; L859-L887 HydrophobicContact CD1-CD2 4.48Å; I883-L887 WeakPolarHBondContact O-CB 3.48Å; I883-L887 PolarHBondContact O-N 3.09Å; L884-L887 HydrophobicContact CD2-CD2 4.14Å; L884-L887 PolarHBondContact O-N 3.39Å; L887-V891 HydrophobicContact CD1-CG2 4.32Å; L887-V891 WeakPolarHBondContact O-CB 3.28Å; L887-V891 VanDerWaalsContact O-CG2 3.23Å; L887-V891 WeakPolarHBondContact O-CG2 3.48Å; L887-V891 PolarHBondContact O-N 3.34Å; L887-V910 HydrophobicContact CD2-CG1 4.11Å; L887-V910 HydrophobicContact CG-CG1 3.94Å; L887-F913 HydrophobicContact CD2-CD1 4.44Å |
| 888 | L | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | -179.5 | -176.1 | 63.2 | 0 | 0 | 0 | 111.7 | L884 E885 L886 V891 L892 L907 V910 V911 I914 L924 C927 L939 | L884-L888 WeakPolarHBondContact O-CB 3.45Å; L884-L888 PolarHBondContact O-N 3.5Å; E885-L888 PolarHBondContact O-N 2.81Å; L886-L888 PolarHBondContact O-N 2.73Å; L888-V891 PolarHBondContact O-N 2.93Å; L888-L892 WeakPolarHBondContact O-CB 3.36Å; L888-L892 PolarHBondContact O-N 3.07Å; L888-L907 HydrophobicContact CD1-CD1 3.57Å; L888-V910 HydrophobicContact CD1-CG1 4.14Å; L888-V911 HydrophobicContact CD1-CG2 4.08Å; L888-I914 HydrophobicContact CB-CD1 3.91Å; L888-I914 HydrophobicContact CD1-CD1 4.41Å; L888-L924 HydrophobicContact CD2-CD2 3.72Å; L888-C927 HydrophobicContact CD2-CB 3.95Å; L888-L939 HydrophobicContact CD1-CD1 4.2Å; L888-L939 HydrophobicContact CD2-CD1 4.46Å |
| 889 | H | 90.3 | Very high | 86 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 22% | 0.218 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -51.6 | 177.3 | -170.6 | -65.6 | 0 | 0 | 0 | 111.6 | E885 L886 V891 L892 E893 T931 | E885-H889 WeakPolarHBondContact O-CB 3.36Å; E885-H889 PolarHBondContact O-N 2.91Å; L886-H889 PolarHBondContact O-N 3.4Å; H889-V891 VanDerWaalsContact C-N 3.26Å; H889-V891 PolarHBondContact O-N 2.62Å; H889-L892 PolarHBondContact O-N 2.83Å; H889-E893 IonicContact CE1-OE2 3.44Å; H889-E893 PolarHBondContact CE1-OE2 3Å; H889-E893 IonicContact ND1-OE2 3.43Å; H889-E893 PolarHBondContact ND1-OE2 2.86Å; H889-E893 VanDerWaalsContact ND1-OE2 3.12Å; H889-E893 WeakPolarHBondContact O-CB 3.11Å; H889-E893 PolarHBondContact O-N 2.81Å; H889-T931 VanDerWaalsContact CD2-CG2 3.5Å; H889-T931 WeakPolarHBondContact CD2-CG2 3.45Å |
| 890 | E | 86.4 | Confident | 85 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -28.9 | -176.6 | -160.7 | -155.3 | -174.4 | 0 | 0 | 112.6 | H852 H853 R856 L886 V894 | H852-E890 IonicContact CD2-OE2 3.8Å; H853-E890 IonicContact CE1-OE1 2.75Å; H853-E890 PolarHBondContact CE1-OE1 3.36Å; H853-E890 IonicContact CE1-OE2 3.88Å; H853-E890 IonicContact ND1-OE1 3.69Å; H853-E890 PolarHBondContact ND1-OE1 3.01Å; H853-E890 IonicContact ND1-OE2 2.64Å; H853-E890 PolarHBondContact ND1-OE2 3.48Å; H853-E890 VanDerWaalsContact ND1-OE2 3.14Å; R856-E890 VanDerWaalsContact CD-OE2 3.27Å; R856-E890 WeakPolarHBondContact CD-OE2 3.45Å; R856-E890 IonicContact CZ-OE2 3.54Å; R856-E890 IonicContact NE-OE2 3.76Å; R856-E890 IonicContact NH1-OE1 3.64Å; R856-E890 PolarHBondContact NH1-OE1 3.43Å; R856-E890 IonicContact NH1-OE2 2.67Å; R856-E890 PolarHBondContact NH1-OE2 3.19Å; R856-E890 PolarHBondContact NH2-O 3.4Å; L886-E890 VanDerWaalsContact O-CB 3.29Å; L886-E890 WeakPolarHBondContact O-CB 3.41Å; L886-E890 PolarHBondContact O-N 2.95Å; E890-V894 WeakPolarHBondContact O-CB 3.14Å; E890-V894 VanDerWaalsContact O-CG2 3.28Å; E890-V894 WeakPolarHBondContact O-CG2 3.26Å; E890-V894 PolarHBondContact O-N 2.85Å |
| 891 | V | 88.8 | Confident | 83.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.8 | -47.4 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 111 | R856 L887 L888 H889 E893 V894 E895 L906 L907 V910 | R856-V891 HydrophobicContact CG-CG2 3.97Å; L887-V891 HydrophobicContact CD1-CG2 4.32Å; L887-V891 WeakPolarHBondContact O-CB 3.28Å; L887-V891 VanDerWaalsContact O-CG2 3.23Å; L887-V891 WeakPolarHBondContact O-CG2 3.48Å; L887-V891 PolarHBondContact O-N 3.34Å; L888-V891 PolarHBondContact O-N 2.93Å; H889-V891 VanDerWaalsContact C-N 3.26Å; H889-V891 PolarHBondContact O-N 2.62Å; V891-E893 PolarHBondContact O-N 3.4Å; V891-V894 PolarHBondContact O-N 2.79Å; V891-E895 PolarHBondContact O-N 3.13Å; V891-L906 HydrophobicContact CG1-CB 4.14Å; V891-L906 HydrophobicContact CG1-CD2 4.41Å; V891-L906 HydrophobicContact CG2-CD2 4Å; V891-L907 HydrophobicContact CG1-CB 4.11Å; V891-L907 HydrophobicContact CG1-CD1 4.35Å; V891-V910 HydrophobicContact CG1-CG2 4.3Å; V891-V910 HydrophobicContact CG2-CG2 4.18Å |
| 892 | L | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.3 | -178.1 | 68.3 | 0 | 0 | 0 | 111.8 | L888 H889 E895 A896 L907 T931 W935 L939 | L888-L892 WeakPolarHBondContact O-CB 3.36Å; L888-L892 PolarHBondContact O-N 3.07Å; H889-L892 PolarHBondContact O-N 2.83Å; L892-E895 PolarHBondContact O-N 3.2Å; L892-A896 WeakPolarHBondContact O-CB 3.43Å; L892-A896 PolarHBondContact O-N 3.02Å; L892-L907 HydrophobicContact CB-CD1 4.44Å; L892-L907 HydrophobicContact CD1-CD2 3.64Å; L892-T931 HydrophobicContact CD2-CG2 3.93Å; L892-W935 HydrophobicContact CD2-CB 4.33Å; L892-L939 HydrophobicContact CD1-CB 4.29Å; L892-L939 HydrophobicContact CD2-CB 4.33Å; L892-L939 HydrophobicContact CD2-CD1 4.44Å; L892-L939 HydrophobicContact CD2-CD2 4.33Å |
| 893 | E | 85.4 | Confident | 80.8 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 179.5 | 179.9 | 175.5 | -177.9 | 0 | 0 | 111.8 | H889 V891 A897 W935 | H889-E893 IonicContact CE1-OE2 3.44Å; H889-E893 PolarHBondContact CE1-OE2 3Å; H889-E893 IonicContact ND1-OE2 3.43Å; H889-E893 PolarHBondContact ND1-OE2 2.86Å; H889-E893 VanDerWaalsContact ND1-OE2 3.12Å; H889-E893 WeakPolarHBondContact O-CB 3.11Å; H889-E893 PolarHBondContact O-N 2.81Å; V891-E893 PolarHBondContact O-N 3.4Å; E893-A897 WeakPolarHBondContact O-CB 3.48Å; E893-A897 PolarHBondContact O-N 2.99Å; E893-W935 HydrophobicContact CB-CH2 4.32Å; E893-W935 HydrophobicContact CB-CZ3 4.03Å; E893-W935 HydrophobicContact CG-CH2 3.96Å; E893-W935 HydrophobicContact CG-CZ3 4.13Å |
| 894 | V | 83.9 | Confident | 79.9 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 179.3 | 169.1 | 0 | 0 | 0 | 0 | 112.5 | E890 V891 S898 | E890-V894 WeakPolarHBondContact O-CB 3.14Å; E890-V894 VanDerWaalsContact O-CG2 3.28Å; E890-V894 WeakPolarHBondContact O-CG2 3.26Å; E890-V894 PolarHBondContact O-N 2.85Å; V891-V894 PolarHBondContact O-N 2.79Å; V894-S898 PolarHBondContact O-N 3.43Å |
| 895 | E | 84.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.5 | -46.1 | 175.1 | -74.3 | -179.2 | -155.9 | 0 | 0 | 111.8 | V891 L892 A897 S898 L906 L907 H938 | V891-E895 PolarHBondContact O-N 3.13Å; L892-E895 PolarHBondContact O-N 3.2Å; E895-A897 PolarHBondContact O-N 3.13Å; E895-S898 WeakPolarHBondContact O-CB 3.46Å; E895-S898 PolarHBondContact O-N 3.33Å; E895-S898 VanDerWaalsContact O-N 3.1Å; E895-S898 PolarHBondContact O-OG 3.19Å; E895-L906 WeakPolarHBondContact OE1-CA 3.39Å; E895-L906 WeakPolarHBondContact OE1-CB 3.13Å; E895-L906 PolarHBondContact OE1-N 2.95Å; E895-L907 PolarHBondContact OE1-N 3.39Å; E895-L907 WeakPolarHBondContact OE2-CB 3.44Å; E895-H938 IonicContact OE2-CE1 2.69Å |
| 896 | A | 78.7 | Confident | 78.8 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.5 | -26.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L892 S898 W935 | L892-A896 WeakPolarHBondContact O-CB 3.43Å; L892-A896 PolarHBondContact O-N 3.02Å; A896-S898 VanDerWaalsContact C-N 3.31Å; A896-W935 HydrophobicContact CB-CB 4.26Å; A896-W935 HydrophobicContact CB-CD2 3.79Å; A896-W935 HydrophobicContact CB-CE3 4.49Å; A896-W935 HydrophobicContact CB-CG 3.64Å |
| 897 | A | 78.5 | Confident | 78.8 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 56% | 0.562 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E893 E895 K899 | E893-A897 WeakPolarHBondContact O-CB 3.48Å; E893-A897 PolarHBondContact O-N 2.99Å; E895-A897 PolarHBondContact O-N 3.13Å; A897-K899 PolarHBondContact O-N 3.3Å |
| 898 | S | 73.9 | Confident | 78.6 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 32% | 0.315 | 37% | 0.369 | S | S | . | . | trans | -73.1 | 123.7 | -179.9 | 78 | 0 | 0 | 0 | 0 | 111.3 | V894 E895 A896 I900 | V894-S898 PolarHBondContact O-N 3.43Å; E895-S898 WeakPolarHBondContact O-CB 3.46Å; E895-S898 PolarHBondContact O-N 3.33Å; E895-S898 VanDerWaalsContact O-N 3.1Å; E895-S898 PolarHBondContact O-OG 3.19Å; A896-S898 VanDerWaalsContact C-N 3.31Å; S898-I900 PolarHBondContact O-N 3.12Å; S898-I900 PolarHBondContact OG-O 3.35Å | ||
| 899 | K | 65.5 | Low | 78.4 | Confident | 209 Ų | 209 | 65.4 Ų | 65.4 | 91% | 0.909 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -79.9 | -5.2 | 177.9 | -65.3 | -177.6 | -179.4 | 176.4 | 0 | 113.7 | A897 | A897-K899 PolarHBondContact O-N 3.3Š|
| 900 | I | 64.5 | Low | 78.4 | Confident | 135 Ų | 135 | 63.1 Ų | 63.1 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -132.7 | 125.9 | -175.9 | -56.5 | 173.4 | 0 | 0 | 0 | 105.1 | S898 T902 | S898-I900 PolarHBondContact O-N 3.12Å; S898-I900 PolarHBondContact OG-O 3.35Å; I900-T902 PolarHBondContact O-N 3.41Å; I900-T902 VanDerWaalsContact O-N 3.17Å |
| 901 | P | 61.2 | Low | 78.5 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | trans | -58.6 | 122.9 | 179.5 | 24.6 | -33.6 | 0 | 0 | 0 | 109.9 | ||||
| 902 | T | 61.5 | Low | 78.4 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | trans | -62.4 | 134.3 | 177.5 | 49 | 0 | 0 | 0 | 0 | 109.9 | I900 D904 | I900-T902 PolarHBondContact O-N 3.41Å; I900-T902 VanDerWaalsContact O-N 3.17Å; T902-D904 VanDerWaalsContact C-N 3.26Å; T902-D904 PolarHBondContact O-N 2.87Å | ||
| 903 | P | 58.7 | Low | 78.5 | Confident | 124 Ų | 124 | 64 Ų | 64 | 81% | 0.805 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -61.6 | -33.8 | -171.3 | 23.2 | -33.7 | 0 | 0 | 0 | 113.1 | ||
| 904 | D | 71.2 | Confident | 78.7 | Confident | 141 Ų | 141 | 60 Ų | 60 | 75% | 0.754 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -121.8 | 105 | 171.4 | -62.1 | -72.5 | 0 | 0 | 0 | 108.8 | T902 | T902-D904 VanDerWaalsContact C-N 3.26Å; T902-D904 PolarHBondContact O-N 2.87Å |
| 905 | P | 75.6 | Confident | 78.9 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | trans | -72.7 | 129.3 | 175 | 29.1 | -33.1 | 0 | 0 | 0 | 110.5 | ||||
| 906 | L | 85.9 | Confident | 79 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -89.4 | -27.3 | -177.9 | -158.5 | 79.3 | 0 | 0 | 0 | 111.8 | R856 L859 R860 V891 E895 P908 Q909 V910 | R856-L906 HydrophobicContact CG-CD2 3.89Å; L859-L906 HydrophobicContact CB-CD1 4.48Å; R860-L906 HydrophobicContact CB-CD1 4.31Å; R860-L906 HydrophobicContact CG-CD1 3.64Å; R860-L906 HydrophobicContact CG-CD2 3.76Å; R860-L906 HydrophobicContact CG-CG 4.34Å; V891-L906 HydrophobicContact CG1-CB 4.14Å; V891-L906 HydrophobicContact CG1-CD2 4.41Å; V891-L906 HydrophobicContact CG2-CD2 4Å; E895-L906 WeakPolarHBondContact OE1-CA 3.39Å; E895-L906 WeakPolarHBondContact OE1-CB 3.13Å; E895-L906 PolarHBondContact OE1-N 2.95Å; L906-P908 VanDerWaalsContact C-CD 3.48Å; L906-Q909 VanDerWaalsContact CD1-OE1 3.26Å; L906-Q909 WeakPolarHBondContact O-CB 3.43Å; L906-Q909 PolarHBondContact O-N 3.27Å; L906-V910 HydrophobicContact CD2-CG2 4.07Å; L906-V910 HydrophobicContact CG-CG2 4.06Å; L906-V910 WeakPolarHBondContact O-CG2 3.43Å; L906-V910 PolarHBondContact O-N 2.83Å |
| 907 | L | 88.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -51.8 | -43.6 | -178 | -177.1 | 64.7 | 0 | 0 | 0 | 114 | L888 V891 L892 E895 Q909 V910 V911 H938 L939 T942 | L888-L907 HydrophobicContact CD1-CD1 3.57Å; V891-L907 HydrophobicContact CG1-CB 4.11Å; V891-L907 HydrophobicContact CG1-CD1 4.35Å; L892-L907 HydrophobicContact CB-CD1 4.44Å; L892-L907 HydrophobicContact CD1-CD2 3.64Å; E895-L907 PolarHBondContact OE1-N 3.39Å; E895-L907 WeakPolarHBondContact OE2-CB 3.44Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; L907-Q909 PolarHBondContact O-N 2.94Å; L907-V910 PolarHBondContact O-N 3.14Å; L907-V911 HydrophobicContact CD1-CG2 4.12Å; L907-V911 HydrophobicContact CG-CG2 4.39Å; L907-V911 WeakPolarHBondContact O-CB 3.33Å; L907-V911 VanDerWaalsContact O-CG2 3.3Å; L907-V911 WeakPolarHBondContact O-CG2 3.32Å; L907-V911 PolarHBondContact O-N 2.95Å; L907-H938 WeakPolarHBondContact CD2-ND1 3.29Å; L907-L939 HydrophobicContact CD1-CD1 4.3Å; L907-T942 HydrophobicContact CD2-CG2 4.12Å; L907-T942 WeakPolarHBondContact CD2-OG1 3.44Å; L907-T942 HydrophobicContact CG-CG2 4.45Å |
| 908 | P | 87.9 | Confident | 79.5 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.2 | -21.8 | 33.9 | 0 | 0 | 0 | 113 | L906 V911 A912 T942 | L906-P908 VanDerWaalsContact C-CD 3.48Å; P908-V911 PolarHBondContact O-N 3.21Å; P908-A912 WeakPolarHBondContact O-CB 3.38Å; P908-A912 PolarHBondContact O-N 3.45Å; P908-T942 HydrophobicContact CG-CG2 4.12Å |
| 909 | Q | 88 | Confident | 80 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.9 | -174.3 | -174.5 | 56.8 | 0 | 0 | 111.3 | Y758 L859 N862 L906 L907 F913 | Y758-Q909 WeakPolarHBondContact OH-CG 3.3Å; Y758-Q909 PolarHBondContact OH-NE2 3.29Å; L859-Q909 VanDerWaalsContact C-OE1 3.24Å; L859-Q909 HydrophobicContact CD2-CG 4.18Å; L859-Q909 PolarHBondContact O-NE2 2.97Å; L859-Q909 PolarHBondContact O-OE1 2.84Å; N862-Q909 PolarHBondContact OD1-NE2 3.45Å; L906-Q909 VanDerWaalsContact CD1-OE1 3.26Å; L906-Q909 WeakPolarHBondContact O-CB 3.43Å; L906-Q909 PolarHBondContact O-N 3.27Å; L907-Q909 VanDerWaalsContact C-N 3.34Å; L907-Q909 PolarHBondContact O-N 2.94Å; Q909-F913 WeakPolarHBondContact O-CB 3.38Å; Q909-F913 PolarHBondContact O-N 2.92Å |
| 910 | V | 90.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | L859 L887 L888 V891 L906 L907 F913 I914 | L859-V910 HydrophobicContact CD1-CG2 3.84Å; L887-V910 HydrophobicContact CD2-CG1 4.11Å; L887-V910 HydrophobicContact CG-CG1 3.94Å; L888-V910 HydrophobicContact CD1-CG1 4.14Å; V891-V910 HydrophobicContact CG1-CG2 4.3Å; V891-V910 HydrophobicContact CG2-CG2 4.18Å; L906-V910 HydrophobicContact CD2-CG2 4.07Å; L906-V910 HydrophobicContact CG-CG2 4.06Å; L906-V910 WeakPolarHBondContact O-CG2 3.43Å; L906-V910 PolarHBondContact O-N 2.83Å; L907-V910 PolarHBondContact O-N 3.14Å; V910-F913 PolarHBondContact O-N 3.47Å; V910-I914 HydrophobicContact CG1-CD1 3.77Å; V910-I914 HydrophobicContact CG1-CG1 4.47Å; V910-I914 WeakPolarHBondContact O-CB 3.41Å; V910-I914 VanDerWaalsContact O-CG1 3.26Å; V910-I914 WeakPolarHBondContact O-CG1 3.31Å; V910-I914 PolarHBondContact O-N 3.19Å |
| 911 | V | 89 | Confident | 82.1 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 176.1 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | L888 L907 P908 F913 I914 Q915 I943 | L888-V911 HydrophobicContact CD1-CG2 4.08Å; L907-V911 HydrophobicContact CD1-CG2 4.12Å; L907-V911 HydrophobicContact CG-CG2 4.39Å; L907-V911 WeakPolarHBondContact O-CB 3.33Å; L907-V911 VanDerWaalsContact O-CG2 3.3Å; L907-V911 WeakPolarHBondContact O-CG2 3.32Å; L907-V911 PolarHBondContact O-N 2.95Å; P908-V911 PolarHBondContact O-N 3.21Å; V911-F913 VanDerWaalsContact C-N 3.34Å; V911-F913 PolarHBondContact O-N 3.44Å; V911-I914 PolarHBondContact O-N 3.35Å; V911-Q915 WeakPolarHBondContact O-CG 3.49Å; V911-Q915 PolarHBondContact O-N 3.47Å; V911-Q915 VanDerWaalsContact O-N 3.07Å; V911-I943 HydrophobicContact CG1-CB 4.43Å; V911-I943 HydrophobicContact CG1-CG1 3.79Å; V911-I943 HydrophobicContact CG2-CG1 4.2Å |
| 912 | A | 86.8 | Confident | 83.3 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P908 I914 Q915 | P908-A912 WeakPolarHBondContact O-CB 3.38Å; P908-A912 PolarHBondContact O-N 3.45Å; A912-I914 VanDerWaalsContact C-N 3.33Å; A912-I914 PolarHBondContact O-N 2.94Å; A912-Q915 PolarHBondContact O-N 3.35Å |
| 913 | F | 89.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 176 | 179.6 | -97.6 | 0 | 0 | 0 | 113.4 | I855 L859 A867 F868 S871 L884 L887 Q909 V910 V911 F917 | I855-F913 HydrophobicContact CG2-CD1 4.37Å; I855-F913 HydrophobicContact CG2-CE1 3.73Å; I855-F913 HydrophobicContact CG2-CZ 4.03Å; L859-F913 HydrophobicContact CD1-CB 4.4Å; L859-F913 HydrophobicContact CD1-CD1 4.23Å; L859-F913 HydrophobicContact CD1-CG 4.16Å; L859-F913 HydrophobicContact CD2-CB 4.37Å; L859-F913 HydrophobicContact CD2-CD2 3.97Å; L859-F913 HydrophobicContact CD2-CG 4.2Å; A867-F913 HydrophobicContact CB-CE2 3.85Å; A867-F913 HydrophobicContact CB-CZ 4.1Å; F868-F913 HydrophobicContact CB-CE2 3.92Å; F868-F913 HydrophobicContact CD2-CE2 4.34Å; S871-F913 WeakPolarHBondContact OG-CZ 3.43Å; L884-F913 HydrophobicContact CD2-CE1 4.01Å; L887-F913 HydrophobicContact CD2-CD1 4.44Å; Q909-F913 WeakPolarHBondContact O-CB 3.38Å; Q909-F913 PolarHBondContact O-N 2.92Å; V910-F913 PolarHBondContact O-N 3.47Å; V911-F913 VanDerWaalsContact C-N 3.34Å; V911-F913 PolarHBondContact O-N 3.44Å; F913-F917 HydrophobicContact CD1-CE2 4.33Å; F913-F917 AromaticContact CE1-CE2 3.92Å; F913-F917 HydrophobicContact CE1-CE2 3.92Å; F913-F917 HydrophobicContact CE1-CZ 4.22Å; F913-F917 HydrophobicContact CZ-CE2 4.16Å; F913-F917 HydrophobicContact CZ-CZ 4.05Å; F913-F917 WeakPolarHBondContact O-CE2 3.42Å |
| 914 | I | 89.6 | Confident | 86 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.7 | -28 | 178.7 | -70.1 | 170.5 | 0 | 0 | 0 | 111.4 | L884 L888 V910 V911 A912 E916 F917 F920 I923 | L884-I914 HydrophobicContact CB-CD1 4.38Å; L884-I914 HydrophobicContact CB-CG1 4.32Å; L884-I914 HydrophobicContact CD2-CG1 4.49Å; L888-I914 HydrophobicContact CB-CD1 3.91Å; L888-I914 HydrophobicContact CD1-CD1 4.41Å; V910-I914 HydrophobicContact CG1-CD1 3.77Å; V910-I914 HydrophobicContact CG1-CG1 4.47Å; V910-I914 WeakPolarHBondContact O-CB 3.41Å; V910-I914 VanDerWaalsContact O-CG1 3.26Å; V910-I914 WeakPolarHBondContact O-CG1 3.31Å; V910-I914 PolarHBondContact O-N 3.19Å; V911-I914 PolarHBondContact O-N 3.35Å; A912-I914 VanDerWaalsContact C-N 3.33Å; A912-I914 PolarHBondContact O-N 2.94Å; I914-E916 VanDerWaalsContact C-N 3.33Å; I914-E916 PolarHBondContact O-N 2.94Å; I914-F917 VanDerWaalsContact O-CA 3.28Å; I914-F917 WeakPolarHBondContact O-CA 3.46Å; I914-F917 PolarHBondContact O-N 2.92Å; I914-F920 HydrophobicContact CG2-CB 3.97Å; I914-F920 VanDerWaalsContact O-CB 3.25Å; I914-F920 WeakPolarHBondContact O-CB 3.43Å; I914-I923 HydrophobicContact CG2-CB 4.42Å; I914-I923 HydrophobicContact CG2-CD1 4.22Å; I914-I923 HydrophobicContact CG2-CG2 4.13Å |
| 915 | Q | 88.3 | Confident | 86.7 | Confident | 84 Ų | 84 | 32.6 Ų | 32.6 | 39% | 0.393 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.6 | -26 | 179.3 | -76.2 | 174.1 | 14.6 | 0 | 0 | 114.4 | V911 A912 F917 F920 | V911-Q915 WeakPolarHBondContact O-CG 3.49Å; V911-Q915 PolarHBondContact O-N 3.47Å; V911-Q915 VanDerWaalsContact O-N 3.07Å; A912-Q915 PolarHBondContact O-N 3.35Å; Q915-F917 PolarHBondContact O-N 2.82Å; Q915-F920 HydrophobicContact CG-CD2 4.18Å |
| 916 | E | 85 | Confident | 87.2 | Confident | 104 Ų | 104 | 32.2 Ų | 32.2 | 49% | 0.486 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.9 | 168.6 | -58.6 | -62.1 | 137.4 | 0 | 0 | 112.1 | F756 F868 I914 | F756-E916 HydrophobicContact CE1-CG 4.4Å; F756-E916 HydrophobicContact CZ-CG 4.47Å; F868-E916 HydrophobicContact CD2-CB 4.46Å; F868-E916 HydrophobicContact CE2-CB 3.75Å; F868-E916 HydrophobicContact CE2-CG 4.33Å; F868-E916 HydrophobicContact CZ-CB 4.43Å; I914-E916 VanDerWaalsContact C-N 3.33Å; I914-E916 PolarHBondContact O-N 2.94Å |
| 917 | F | 87 | Confident | 87.2 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -65.2 | 113.6 | 172.4 | 46.9 | -157 | 0 | 0 | 0 | 114.1 | F868 L872 F880 L884 F913 I914 Q915 N919 F920 | F868-F917 HydrophobicContact CD2-CE1 4.17Å; F868-F917 HydrophobicContact CD2-CE2 4.49Å; F868-F917 AromaticContact CD2-CZ 3.85Å; F868-F917 HydrophobicContact CD2-CZ 3.85Å; F868-F917 HydrophobicContact CE2-CD1 4.45Å; F868-F917 AromaticContact CE2-CE1 3.96Å; F868-F917 HydrophobicContact CE2-CE1 3.96Å; F868-F917 HydrophobicContact CE2-CZ 4.01Å; L872-F917 HydrophobicContact CD2-CE1 4.34Å; F880-F917 HydrophobicContact CE1-CD1 4.07Å; F880-F917 HydrophobicContact CE1-CE1 4.13Å; F880-F917 HydrophobicContact CE1-CG 4.4Å; F880-F917 HydrophobicContact CZ-CD1 4.33Å; F880-F917 AromaticContact CZ-CE1 3.92Å; F880-F917 HydrophobicContact CZ-CE1 3.92Å; F880-F917 HydrophobicContact CZ-CZ 4.05Å; L884-F917 HydrophobicContact CD1-CD2 3.74Å; L884-F917 HydrophobicContact CD1-CE2 3.86Å; L884-F917 HydrophobicContact CD1-CG 4.43Å; F913-F917 HydrophobicContact CD1-CE2 4.33Å; F913-F917 AromaticContact CE1-CE2 3.92Å; F913-F917 HydrophobicContact CE1-CE2 3.92Å; F913-F917 HydrophobicContact CE1-CZ 4.22Å; F913-F917 HydrophobicContact CZ-CE2 4.16Å; F913-F917 HydrophobicContact CZ-CZ 4.05Å; F913-F917 WeakPolarHBondContact O-CE2 3.42Å; I914-F917 VanDerWaalsContact O-CA 3.28Å; I914-F917 WeakPolarHBondContact O-CA 3.46Å; I914-F917 PolarHBondContact O-N 2.92Å; Q915-F917 PolarHBondContact O-N 2.82Å; F917-N919 PolarHBondContact O-N 3.14Å; F917-F920 WeakPolarHBondContact O-CB 3.44Å; F917-F920 WeakPolarHBondContact O-CD1 3.37Å; F917-F920 PolarHBondContact O-N 3.47Å |
| 918 | S | 82.7 | Confident | 87.1 | Confident | 85 Ų | 85 | 31.2 Ų | 31.2 | 59% | 0.594 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -16.8 | 172.1 | 62.7 | 0 | 0 | 0 | 0 | 114.9 | K959 | S918-K959 PolarHBondContact O-NZ 3.13Š|
| 919 | N | 83.4 | Confident | 86.9 | Confident | 54 Ų | 54 | 34.7 Ų | 34.7 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 13.5 | 174.7 | -70 | -6.9 | 0 | 0 | 0 | 114.6 | F917 L921 E922 I923 K959 | F917-N919 PolarHBondContact O-N 3.14Å; N919-L921 VanDerWaalsContact C-N 3.25Å; N919-L921 PolarHBondContact O-N 3.21Å; N919-L921 VanDerWaalsContact O-N 3.13Å; N919-E922 WeakPolarHBondContact O-CB 3.31Å; N919-E922 PolarHBondContact O-N 2.84Å; N919-I923 HydrophobicContact CB-CD1 4.42Å; N919-I923 WeakPolarHBondContact O-CG1 3.32Å; N919-I923 PolarHBondContact O-N 2.87Å; N919-K959 PolarHBondContact OD1-NZ 3.37Å |
| 920 | F | 88 | Confident | 86.8 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.5 | -39.6 | -176.8 | 81.1 | -90 | 0 | 0 | 0 | 113.9 | I914 Q915 F917 E922 I923 L924 L953 | I914-F920 HydrophobicContact CG2-CB 3.97Å; I914-F920 VanDerWaalsContact O-CB 3.25Å; I914-F920 WeakPolarHBondContact O-CB 3.43Å; Q915-F920 HydrophobicContact CG-CD2 4.18Å; F917-F920 WeakPolarHBondContact O-CB 3.44Å; F917-F920 WeakPolarHBondContact O-CD1 3.37Å; F917-F920 PolarHBondContact O-N 3.47Å; F920-E922 VanDerWaalsContact C-N 3.34Å; F920-E922 PolarHBondContact O-N 2.7Å; F920-I923 PolarHBondContact O-N 2.86Å; F920-L924 HydrophobicContact CD2-CD1 3.87Å; F920-L924 HydrophobicContact CE2-CD1 4.39Å; F920-L924 WeakPolarHBondContact O-CB 3.46Å; F920-L924 VanDerWaalsContact O-CG 3.29Å; F920-L924 WeakPolarHBondContact O-CG 3.35Å; F920-L924 PolarHBondContact O-N 2.93Å; F920-L953 HydrophobicContact CZ-CD2 3.86Å |
| 921 | L | 85.1 | Confident | 86.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 179.1 | -68.5 | 167.5 | 0 | 0 | 0 | 113.3 | N919 A925 L950 L953 F966 | N919-L921 VanDerWaalsContact C-N 3.25Å; N919-L921 PolarHBondContact O-N 3.21Å; N919-L921 VanDerWaalsContact O-N 3.13Å; L921-A925 WeakPolarHBondContact O-CB 3.25Å; L921-A925 PolarHBondContact O-N 2.85Å; L921-A925 VanDerWaalsContact O-N 3.16Å; L921-L950 HydrophobicContact CD2-CD2 4.09Å; L921-L953 HydrophobicContact CD1-CD2 4.43Å; L921-L953 HydrophobicContact CD2-CD2 4.27Å; L921-F966 WeakPolarHBondContact O-CE2 3.23Å |
| 922 | E | 86.7 | Confident | 86.2 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 28% | 0.28 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.9 | -46.8 | 176.7 | -171.5 | 178.1 | 170.9 | 0 | 0 | 110.6 | N919 F920 L924 A925 H926 T962 | N919-E922 WeakPolarHBondContact O-CB 3.31Å; N919-E922 PolarHBondContact O-N 2.84Å; F920-E922 VanDerWaalsContact C-N 3.34Å; F920-E922 PolarHBondContact O-N 2.7Å; E922-L924 PolarHBondContact O-N 2.78Å; E922-A925 PolarHBondContact O-N 2.94Å; E922-H926 WeakPolarHBondContact O-CB 3.47Å; E922-H926 PolarHBondContact O-N 2.8Å; E922-H926 IonicContact OE1-CE1 3.13Å; E922-T962 HydrophobicContact CB-CG2 3.64Å; E922-T962 HydrophobicContact CG-CG2 3.91Å |
| 923 | I | 88.2 | Confident | 86 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 179.5 | -63.3 | 160.6 | 0 | 0 | 0 | 110.4 | P881 L884 E885 I914 N919 F920 C927 | P881-I923 HydrophobicContact CB-CD1 4.34Å; P881-I923 HydrophobicContact CB-CG1 3.99Å; L884-I923 HydrophobicContact CB-CD1 3.85Å; L884-I923 HydrophobicContact CB-CG1 4.47Å; L884-I923 HydrophobicContact CB-CG2 4.12Å; L884-I923 HydrophobicContact CD1-CD1 3.81Å; L884-I923 HydrophobicContact CG-CD1 4.44Å; E885-I923 HydrophobicContact CB-CG2 4.22Å; I914-I923 HydrophobicContact CG2-CB 4.42Å; I914-I923 HydrophobicContact CG2-CD1 4.22Å; I914-I923 HydrophobicContact CG2-CG2 4.13Å; N919-I923 HydrophobicContact CB-CD1 4.42Å; N919-I923 WeakPolarHBondContact O-CG1 3.32Å; N919-I923 PolarHBondContact O-N 2.87Å; F920-I923 PolarHBondContact O-N 2.86Å; I923-C927 VanDerWaalsContact O-CB 3.23Å; I923-C927 WeakPolarHBondContact O-CB 3.33Å; I923-C927 PolarHBondContact O-N 3.1Å |
| 924 | L | 88.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.6 | -74.1 | 177.4 | 0 | 0 | 0 | 112.1 | L888 F920 E922 S928 I943 F966 | L888-L924 HydrophobicContact CD2-CD2 3.72Å; F920-L924 HydrophobicContact CD2-CD1 3.87Å; F920-L924 HydrophobicContact CE2-CD1 4.39Å; F920-L924 WeakPolarHBondContact O-CB 3.46Å; F920-L924 VanDerWaalsContact O-CG 3.29Å; F920-L924 WeakPolarHBondContact O-CG 3.35Å; F920-L924 PolarHBondContact O-N 2.93Å; E922-L924 PolarHBondContact O-N 2.78Å; L924-S928 VanDerWaalsContact O-CB 3.29Å; L924-S928 WeakPolarHBondContact O-CB 3.27Å; L924-S928 PolarHBondContact O-N 3.32Å; L924-S928 PolarHBondContact O-OG 2.92Å; L924-I943 HydrophobicContact CD1-CD1 4.19Å; L924-I943 HydrophobicContact CD2-CD1 3.65Å; L924-I943 HydrophobicContact CD2-CG1 4.35Å; L924-F966 HydrophobicContact CB-CZ 4.36Å |
| 925 | A | 85.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L921 E922 R929 S965 F966 | L921-A925 WeakPolarHBondContact O-CB 3.25Å; L921-A925 PolarHBondContact O-N 2.85Å; L921-A925 VanDerWaalsContact O-N 3.16Å; E922-A925 PolarHBondContact O-N 2.94Å; A925-R929 WeakPolarHBondContact O-CB 3.26Å; A925-R929 WeakPolarHBondContact O-CG 3.42Å; A925-R929 PolarHBondContact O-N 2.82Å; A925-S965 WeakPolarHBondContact CB-OG 3.45Å; A925-F966 HydrophobicContact CB-CD1 4.44Å; A925-F966 HydrophobicContact CB-CD2 4.02Å; A925-F966 HydrophobicContact CB-CE1 4.17Å; A925-F966 HydrophobicContact CB-CE2 3.74Å; A925-F966 HydrophobicContact CB-CG 4.35Å; A925-F966 HydrophobicContact CB-CZ 3.81Å |
| 926 | H | 87.1 | Confident | 85.1 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 30% | 0.296 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.2 | -42.9 | -179 | -69.7 | -174.5 | 0 | 0 | 0 | 111.8 | E885 E922 R929 K930 | E885-H926 HydrophobicContact CG-CB 4.23Å; E885-H926 VanDerWaalsContact OE1-C 3.24Å; E922-H926 WeakPolarHBondContact O-CB 3.47Å; E922-H926 PolarHBondContact O-N 2.8Å; E922-H926 IonicContact OE1-CE1 3.13Å; H926-R929 PolarHBondContact O-N 3.5Å; H926-K930 PolarHBondContact O-N 2.69Å |
| 927 | C | 86.4 | Confident | 85 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | E885 L888 I923 R929 K930 T931 | E885-C927 HydrophobicContact CG-CB 3.83Å; E885-C927 PolarHBondContact OE1-N 2.89Å; L888-C927 HydrophobicContact CD2-CB 3.95Å; I923-C927 VanDerWaalsContact O-CB 3.23Å; I923-C927 WeakPolarHBondContact O-CB 3.33Å; I923-C927 PolarHBondContact O-N 3.1Å; C927-R929 PolarHBondContact O-N 2.59Å; C927-K930 PolarHBondContact O-N 3.07Å; C927-T931 WeakPolarHBondContact O-CG2 3.4Å; C927-T931 PolarHBondContact O-N 2.8Å; C927-T931 VanDerWaalsContact O-N 3.1Å; C927-T931 PolarHBondContact O-OG1 2.82Å |
| 928 | S | 85.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -25.6 | -178.7 | -53.4 | 0 | 0 | 0 | 0 | 113.2 | L924 K930 W936 L939 | L924-S928 VanDerWaalsContact O-CB 3.29Å; L924-S928 WeakPolarHBondContact O-CB 3.27Å; L924-S928 PolarHBondContact O-N 3.32Å; L924-S928 PolarHBondContact O-OG 2.92Å; S928-K930 VanDerWaalsContact C-N 3.33Å; S928-W936 WeakPolarHBondContact O-CZ2 3.46Å; S928-W936 PolarHBondContact O-NE1 3.19Å; S928-L939 WeakPolarHBondContact OG-CD2 3.44Å |
| 929 | R | 84.2 | Confident | 84.9 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8 | 175.3 | -78.7 | -176.5 | 63.8 | -168.1 | 0.2 | 114.5 | A925 H926 C927 L969 | A925-R929 WeakPolarHBondContact O-CB 3.26Å; A925-R929 WeakPolarHBondContact O-CG 3.42Å; A925-R929 PolarHBondContact O-N 2.82Å; H926-R929 PolarHBondContact O-N 3.5Å; C927-R929 PolarHBondContact O-N 2.59Å; R929-L969 HydrophobicContact CG-CD2 4.14Å; R929-L969 HydrophobicContact CG-CG 4.31Å |
| 930 | K | 85 | Confident | 85 | Confident | 127 Ų | 127 | 46.9 Ų | 46.9 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109 | -22 | 176.6 | -65.8 | 176.8 | -170.3 | 161.9 | 0 | 112.8 | E885 H926 C927 S928 | E885-K930 VanDerWaalsContact CD-NZ 3.28Å; E885-K930 VanDerWaalsContact OE1-CD 3.27Å; E885-K930 WeakPolarHBondContact OE1-CD 3.2Å; E885-K930 WeakPolarHBondContact OE1-CE 3.21Å; E885-K930 IonicContact OE1-NZ 3.34Å; E885-K930 PolarHBondContact OE1-NZ 2.85Å; E885-K930 IonicContact OE2-NZ 2.66Å; E885-K930 PolarHBondContact OE2-NZ 2.78Å; H926-K930 PolarHBondContact O-N 2.69Å; C927-K930 PolarHBondContact O-N 3.07Å; S928-K930 VanDerWaalsContact C-N 3.33Å |
| 931 | T | 84.2 | Confident | 84.8 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -87.2 | 151.8 | 179.4 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | H889 L892 C927 W936 | H889-T931 VanDerWaalsContact CD2-CG2 3.5Å; H889-T931 WeakPolarHBondContact CD2-CG2 3.45Å; L892-T931 HydrophobicContact CD2-CG2 3.93Å; C927-T931 WeakPolarHBondContact O-CG2 3.4Å; C927-T931 PolarHBondContact O-N 2.8Å; C927-T931 VanDerWaalsContact O-N 3.1Å; C927-T931 PolarHBondContact O-OG1 2.82Å; T931-W936 PolarHBondContact O-NE1 2.82Å; T931-W936 VanDerWaalsContact O-NE1 3.09Å |
| 932 | D | 83 | Confident | 84.7 | Confident | 102 Ų | 102 | 53.1 Ų | 53.1 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | trans | -62.5 | 139.9 | -178.7 | -112 | -33.3 | 0 | 0 | 0 | 112.5 | T934 W935 W936 | D932-T934 PolarHBondContact O-N 2.8Å; D932-W935 HydrophobicContact CB-CD2 4.18Å; D932-W935 HydrophobicContact CB-CE3 4.41Å; D932-W935 PolarHBondContact O-N 2.95Å; D932-W936 PolarHBondContact O-NE1 3.43Å | ||
| 933 | V | 83.1 | Confident | 84.5 | Confident | 77 Ų | 77 | 51 Ų | 51 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.2 | -175.8 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | W935 W936 | V933-W935 VanDerWaalsContact C-N 3.29Å; V933-W935 PolarHBondContact O-N 2.73Å; V933-W936 HydrophobicContact CB-CD2 4.48Å; V933-W936 HydrophobicContact CB-CZ2 4.4Å; V933-W936 HydrophobicContact CG1-CD2 4.19Å; V933-W936 HydrophobicContact CG1-CE3 4Å; V933-W936 HydrophobicContact CG1-CH2 4.28Å; V933-W936 HydrophobicContact CG1-CZ2 4.48Å; V933-W936 HydrophobicContact CG1-CZ3 4.05Å; V933-W936 HydrophobicContact CG2-CH2 4.08Å; V933-W936 HydrophobicContact CG2-CZ2 3.84Å |
| 934 | T | 82.9 | Confident | 84.2 | Confident | 107 Ų | 107 | 54 Ų | 54 | 66% | 0.656 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | D932 | D932-T934 PolarHBondContact O-N 2.8Š|
| 935 | W | 82.3 | Confident | 83.8 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -17.5 | -178.6 | -57.5 | -15.8 | 0 | 0 | 0 | 113.1 | L892 E893 A896 D932 V933 P937 H938 L939 | L892-W935 HydrophobicContact CD2-CB 4.33Å; E893-W935 HydrophobicContact CB-CH2 4.32Å; E893-W935 HydrophobicContact CB-CZ3 4.03Å; E893-W935 HydrophobicContact CG-CH2 3.96Å; E893-W935 HydrophobicContact CG-CZ3 4.13Å; A896-W935 HydrophobicContact CB-CB 4.26Å; A896-W935 HydrophobicContact CB-CD2 3.79Å; A896-W935 HydrophobicContact CB-CE3 4.49Å; A896-W935 HydrophobicContact CB-CG 3.64Å; D932-W935 HydrophobicContact CB-CD2 4.18Å; D932-W935 HydrophobicContact CB-CE3 4.41Å; D932-W935 PolarHBondContact O-N 2.95Å; V933-W935 VanDerWaalsContact C-N 3.29Å; V933-W935 PolarHBondContact O-N 2.73Å; W935-P937 VanDerWaalsContact C-CD 3.43Å; W935-H938 WeakPolarHBondContact O-CB 3.49Å; W935-H938 PolarHBondContact O-N 2.82Å; W935-L939 PolarHBondContact O-N 3.17Å |
| 936 | W | 84 | Confident | 83.7 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 8% | 0.08 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.8 | -38.8 | -178.6 | -63.9 | 6 | 0 | 0 | 0 | 114.4 | S928 T931 D932 V933 H938 L939 F940 L969 T972 | S928-W936 WeakPolarHBondContact O-CZ2 3.46Å; S928-W936 PolarHBondContact O-NE1 3.19Å; T931-W936 PolarHBondContact O-NE1 2.82Å; T931-W936 VanDerWaalsContact O-NE1 3.09Å; D932-W936 PolarHBondContact O-NE1 3.43Å; V933-W936 HydrophobicContact CB-CD2 4.48Å; V933-W936 HydrophobicContact CB-CZ2 4.4Å; V933-W936 HydrophobicContact CG1-CD2 4.19Å; V933-W936 HydrophobicContact CG1-CE3 4Å; V933-W936 HydrophobicContact CG1-CH2 4.28Å; V933-W936 HydrophobicContact CG1-CZ2 4.48Å; V933-W936 HydrophobicContact CG1-CZ3 4.05Å; V933-W936 HydrophobicContact CG2-CH2 4.08Å; V933-W936 HydrophobicContact CG2-CZ2 3.84Å; W936-H938 VanDerWaalsContact C-N 3.3Å; W936-H938 PolarHBondContact O-N 2.72Å; W936-L939 PolarHBondContact O-N 2.87Å; W936-F940 HydrophobicContact CB-CD2 4.14Å; W936-F940 HydrophobicContact CB-CE2 3.95Å; W936-F940 HydrophobicContact CG-CE2 4.41Å; W936-F940 WeakPolarHBondContact O-CD2 3.42Å; W936-F940 PolarHBondContact O-N 3.14Å; W936-L969 HydrophobicContact CD2-CD2 4.34Å; W936-L969 HydrophobicContact CE3-CD2 4.27Å; W936-L969 HydrophobicContact CH2-CD2 3.47Å; W936-L969 VanDerWaalsContact CH2-CD2 3.47Å; W936-L969 HydrophobicContact CZ2-CD2 3.51Å; W936-L969 HydrophobicContact CZ3-CB 4.42Å; W936-L969 HydrophobicContact CZ3-CD2 3.85Å; W936-T972 VanDerWaalsContact CH2-OG1 3.24Å; W936-T972 WeakPolarHBondContact CH2-OG1 3.23Å; W936-T972 WeakPolarHBondContact CZ3-OG1 3.33Å |
| 937 | P | 81.5 | Confident | 83.6 | Confident | 76 Ų | 76 | 63 Ų | 63 | 49% | 0.494 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176 | -24.8 | 35.9 | 0 | 0 | 0 | 112.9 | W935 I941 | W935-P937 VanDerWaalsContact C-CD 3.43Å; P937-I941 VanDerWaalsContact O-CB 3.28Å; P937-I941 WeakPolarHBondContact O-CB 3.23Å; P937-I941 WeakPolarHBondContact O-CD1 3.27Å; P937-I941 WeakPolarHBondContact O-CG1 3.28Å; P937-I941 PolarHBondContact O-N 2.63Å |
| 938 | H | 82.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 178 | -168.3 | -100 | 0 | 0 | 0 | 111.5 | E895 L907 W935 W936 T942 | E895-H938 IonicContact OE2-CE1 2.69Å; L907-H938 WeakPolarHBondContact CD2-ND1 3.29Å; W935-H938 WeakPolarHBondContact O-CB 3.49Å; W935-H938 PolarHBondContact O-N 2.82Å; W936-H938 VanDerWaalsContact C-N 3.3Å; W936-H938 PolarHBondContact O-N 2.72Å; H938-T942 PolarHBondContact O-N 3Å; H938-T942 VanDerWaalsContact O-N 3.11Å; H938-T942 PolarHBondContact O-OG1 2.81Å |
| 939 | L | 84.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 176.2 | -176.4 | 65.8 | 0 | 0 | 0 | 112.1 | L888 L892 L907 S928 W935 W936 I941 T942 I943 | L888-L939 HydrophobicContact CD1-CD1 4.2Å; L888-L939 HydrophobicContact CD2-CD1 4.46Å; L892-L939 HydrophobicContact CD1-CB 4.29Å; L892-L939 HydrophobicContact CD2-CB 4.33Å; L892-L939 HydrophobicContact CD2-CD1 4.44Å; L892-L939 HydrophobicContact CD2-CD2 4.33Å; L907-L939 HydrophobicContact CD1-CD1 4.3Å; S928-L939 WeakPolarHBondContact OG-CD2 3.44Å; W935-L939 PolarHBondContact O-N 3.17Å; W936-L939 PolarHBondContact O-N 2.87Å; L939-I941 PolarHBondContact O-N 3.36Å; L939-T942 PolarHBondContact O-N 2.97Å; L939-T942 PolarHBondContact O-OG1 2.9Å; L939-I943 HydrophobicContact CD1-CD1 4.06Å; L939-I943 HydrophobicContact CG-CD1 3.82Å; L939-I943 WeakPolarHBondContact O-CD1 3.25Å; L939-I943 VanDerWaalsContact O-CG1 3.26Å; L939-I943 WeakPolarHBondContact O-CG1 3.5Å; L939-I943 PolarHBondContact O-N 3.03Å |
| 940 | F | 85.6 | Confident | 83.5 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 10% | 0.101 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.2 | -28.3 | -178.5 | -66.1 | -59.2 | 0 | 0 | 0 | 113.3 | W936 I943 G944 P947 L950 | W936-F940 HydrophobicContact CB-CD2 4.14Å; W936-F940 HydrophobicContact CB-CE2 3.95Å; W936-F940 HydrophobicContact CG-CE2 4.41Å; W936-F940 WeakPolarHBondContact O-CD2 3.42Å; W936-F940 PolarHBondContact O-N 3.14Å; F940-I943 HydrophobicContact CD1-CD1 4.06Å; F940-I943 HydrophobicContact CE1-CD1 4.34Å; F940-G944 PolarHBondContact O-N 2.84Å; F940-G944 VanDerWaalsContact O-N 3.07Å; F940-P947 HydrophobicContact CD1-CG 4.26Å; F940-P947 HydrophobicContact CD2-CG 3.91Å; F940-P947 HydrophobicContact CE1-CG 4.12Å; F940-P947 HydrophobicContact CE2-CG 3.75Å; F940-P947 HydrophobicContact CG-CG 4.19Å; F940-P947 HydrophobicContact CZ-CG 3.88Å; F940-L950 HydrophobicContact CD1-CD1 4.03Å; F940-L950 HydrophobicContact CE1-CD1 3.78Å |
| 941 | I | 84.6 | Confident | 83.6 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 169.2 | -72.7 | 166.5 | 0 | 0 | 0 | 111 | P937 L939 G944 | P937-I941 VanDerWaalsContact O-CB 3.28Å; P937-I941 WeakPolarHBondContact O-CB 3.23Å; P937-I941 WeakPolarHBondContact O-CD1 3.27Å; P937-I941 WeakPolarHBondContact O-CG1 3.28Å; P937-I941 PolarHBondContact O-N 2.63Å; L939-I941 PolarHBondContact O-N 3.36Å; I941-G944 PolarHBondContact O-N 3.3Å |
| 942 | T | 82.1 | Confident | 83.7 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -25.2 | 179.4 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | L907 P908 H938 L939 G944 | L907-T942 HydrophobicContact CD2-CG2 4.12Å; L907-T942 WeakPolarHBondContact CD2-OG1 3.44Å; L907-T942 HydrophobicContact CG-CG2 4.45Å; P908-T942 HydrophobicContact CG-CG2 4.12Å; H938-T942 PolarHBondContact O-N 3Å; H938-T942 VanDerWaalsContact O-N 3.11Å; H938-T942 PolarHBondContact O-OG1 2.81Å; L939-T942 PolarHBondContact O-N 2.97Å; L939-T942 PolarHBondContact O-OG1 2.9Å; T942-G944 VanDerWaalsContact C-N 3.35Å |
| 943 | I | 82.9 | Confident | 83.8 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.1 | -24.3 | 169 | -64.2 | 160.3 | 0 | 0 | 0 | 112 | V911 L924 L939 F940 R945 L950 | V911-I943 HydrophobicContact CG1-CB 4.43Å; V911-I943 HydrophobicContact CG1-CG1 3.79Å; V911-I943 HydrophobicContact CG2-CG1 4.2Å; L924-I943 HydrophobicContact CD1-CD1 4.19Å; L924-I943 HydrophobicContact CD2-CD1 3.65Å; L924-I943 HydrophobicContact CD2-CG1 4.35Å; L939-I943 HydrophobicContact CD1-CD1 4.06Å; L939-I943 HydrophobicContact CG-CD1 3.82Å; L939-I943 WeakPolarHBondContact O-CD1 3.25Å; L939-I943 VanDerWaalsContact O-CG1 3.26Å; L939-I943 WeakPolarHBondContact O-CG1 3.5Å; L939-I943 PolarHBondContact O-N 3.03Å; F940-I943 HydrophobicContact CD1-CD1 4.06Å; F940-I943 HydrophobicContact CE1-CD1 4.34Å; I943-R945 VanDerWaalsContact C-N 3.26Å; I943-R945 HydrophobicContact CG2-CB 4.19Å; I943-R945 PolarHBondContact O-N 2.92Å; I943-L950 HydrophobicContact CG2-CD1 4.43Å; I943-L950 HydrophobicContact CG2-CD2 4.4Å |
| 944 | G | 81.4 | Confident | 83.9 | Confident | 66 Ų | 66 | 53.2 Ų | 53.2 | 68% | 0.68 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 16.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F940 I941 T942 | F940-G944 PolarHBondContact O-N 2.84Å; F940-G944 VanDerWaalsContact O-N 3.07Å; I941-G944 PolarHBondContact O-N 3.3Å; T942-G944 VanDerWaalsContact C-N 3.35Å |
| 945 | R | 82.2 | Confident | 84 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -140 | 148.1 | 179 | -63 | -168.4 | -173.8 | -149.5 | 5.2 | 111.1 | I943 D949 L950 | I943-R945 VanDerWaalsContact C-N 3.26Å; I943-R945 HydrophobicContact CG2-CB 4.19Å; I943-R945 PolarHBondContact O-N 2.92Å; R945-D949 HydrophobicContact CB-CB 4.27Å; R945-L950 HydrophobicContact CB-CD2 4.25Å; R945-L950 HydrophobicContact CB-CG 4.2Å |
| 946 | K | 83.3 | Confident | 84.1 | Confident | 130 Ų | 130 | 54.9 Ų | 54.9 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | trans | -78.5 | 160.6 | 174.2 | -60.1 | 178.4 | 179.8 | 178.3 | 0 | 111.5 | K948 D949 L950 | K946-K948 PolarHBondContact O-N 2.91Å; K946-D949 WeakPolarHBondContact CB-OD2 3.27Å; K946-D949 PolarHBondContact N-OD2 2.92Å; K946-D949 PolarHBondContact O-N 3.05Å; K946-L950 PolarHBondContact O-N 3Å; K946-L950 VanDerWaalsContact O-N 3.15Å | ||
| 947 | P | 83.4 | Confident | 84 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 8% | 0.078 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.4 | -35.3 | 172.7 | -27.3 | 36.1 | 0 | 0 | 0 | 113.6 | F940 L950 F951 L970 | F940-P947 HydrophobicContact CD1-CG 4.26Å; F940-P947 HydrophobicContact CD2-CG 3.91Å; F940-P947 HydrophobicContact CE1-CG 4.12Å; F940-P947 HydrophobicContact CE2-CG 3.75Å; F940-P947 HydrophobicContact CG-CG 4.19Å; F940-P947 HydrophobicContact CZ-CG 3.88Å; P947-L950 PolarHBondContact O-N 3.49Å; P947-F951 WeakPolarHBondContact O-CB 3.31Å; P947-F951 PolarHBondContact O-N 2.82Å; P947-L970 HydrophobicContact CB-CD2 4.01Å; P947-L970 HydrophobicContact CB-CG 4.42Å |
| 948 | K | 83.1 | Confident | 84 | Confident | 54 Ų | 54 | 60.5 Ų | 60.5 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -48.2 | 176.4 | -176.1 | 167.9 | 178.7 | 167.9 | 0 | 112.5 | K946 L950 F951 E952 L970 V978 | K946-K948 PolarHBondContact O-N 2.91Å; K948-L950 PolarHBondContact O-N 2.97Å; K948-F951 WeakPolarHBondContact O-CB 3.4Å; K948-F951 PolarHBondContact O-N 2.81Å; K948-E952 WeakPolarHBondContact CE-OE1 3.12Å; K948-E952 IonicContact NZ-OE1 3.61Å; K948-E952 PolarHBondContact O-N 2.81Å; K948-L970 HydrophobicContact CB-CD2 4.08Å; K948-V978 HydrophobicContact CD-CG1 3.98Å |
| 949 | D | 86 | Confident | 84 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 177.7 | -35.3 | -20.7 | 0 | 0 | 0 | 111.6 | R945 K946 L953 | R945-D949 HydrophobicContact CB-CB 4.27Å; K946-D949 WeakPolarHBondContact CB-OD2 3.27Å; K946-D949 PolarHBondContact N-OD2 2.92Å; K946-D949 PolarHBondContact O-N 3.05Å; D949-L953 WeakPolarHBondContact O-CB 3.49Å; D949-L953 PolarHBondContact O-N 3.41Å; D949-L953 VanDerWaalsContact O-N 3.1Å |
| 950 | L | 85 | Confident | 84 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.1 | -36.7 | 175.2 | -66.9 | 171.5 | 0 | 0 | 0 | 112.7 | L921 F940 I943 R945 K946 P947 K948 L953 C954 F966 | L921-L950 HydrophobicContact CD2-CD2 4.09Å; F940-L950 HydrophobicContact CD1-CD1 4.03Å; F940-L950 HydrophobicContact CE1-CD1 3.78Å; I943-L950 HydrophobicContact CG2-CD1 4.43Å; I943-L950 HydrophobicContact CG2-CD2 4.4Å; R945-L950 HydrophobicContact CB-CD2 4.25Å; R945-L950 HydrophobicContact CB-CG 4.2Å; K946-L950 PolarHBondContact O-N 3Å; K946-L950 VanDerWaalsContact O-N 3.15Å; P947-L950 PolarHBondContact O-N 3.49Å; K948-L950 PolarHBondContact O-N 2.97Å; L950-L953 PolarHBondContact O-N 2.97Å; L950-C954 PolarHBondContact O-N 2.74Å; L950-C954 PolarHBondContact O-SG 3.3Å; L950-F966 HydrophobicContact CB-CE1 4.04Å; L950-F966 HydrophobicContact CB-CZ 4.04Å; L950-F966 HydrophobicContact CD1-CE1 4.16Å; L950-F966 HydrophobicContact CD1-CZ 4.41Å |
| 951 | F | 86.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 173.3 | 169 | -90.5 | 0 | 0 | 0 | 111.8 | P947 K948 C954 L955 A963 F966 L967 L970 C982 L986 | P947-F951 WeakPolarHBondContact O-CB 3.31Å; P947-F951 PolarHBondContact O-N 2.82Å; K948-F951 WeakPolarHBondContact O-CB 3.4Å; K948-F951 PolarHBondContact O-N 2.81Å; F951-C954 WeakPolarHBondContact O-CB 3.45Å; F951-C954 PolarHBondContact O-N 3.13Å; F951-C954 VanDerWaalsContact O-N 3.11Å; F951-L955 HydrophobicContact CD1-CD1 4.22Å; F951-L955 HydrophobicContact CE1-CD1 3.52Å; F951-L955 HydrophobicContact CE1-CG 4.3Å; F951-L955 HydrophobicContact CZ-CD1 3.89Å; F951-L955 HydrophobicContact CZ-CG 4.36Å; F951-L955 PolarHBondContact O-N 2.66Å; F951-L955 VanDerWaalsContact O-N 3.14Å; F951-A963 HydrophobicContact CD2-CB 4.02Å; F951-A963 WeakPolarHBondContact CD2-O 3.21Å; F951-A963 HydrophobicContact CE2-CB 3.91Å; F951-A963 WeakPolarHBondContact CE2-O 3.5Å; F951-F966 HydrophobicContact CB-CB 4.25Å; F951-F966 HydrophobicContact CD2-CB 4.22Å; F951-L967 HydrophobicContact CD2-CD2 4.23Å; F951-L967 HydrophobicContact CE2-CD2 3.65Å; F951-L967 HydrophobicContact CE2-CG 4.05Å; F951-L967 HydrophobicContact CZ-CD2 4.15Å; F951-L970 HydrophobicContact CB-CD1 3.96Å; F951-L970 HydrophobicContact CD1-CD1 4.43Å; F951-L970 HydrophobicContact CD2-CD1 4.11Å; F951-L970 HydrophobicContact CG-CD1 3.9Å; F951-C982 HydrophobicContact CD1-CB 4.1Å; F951-C982 HydrophobicContact CE1-CB 3.53Å; F951-C982 HydrophobicContact CE2-CB 4.41Å; F951-C982 HydrophobicContact CZ-CB 3.72Å; F951-C982 VanDerWaalsContact CZ-O 3.28Å; F951-C982 WeakPolarHBondContact CZ-O 3.44Å; F951-L986 HydrophobicContact CE2-CB 4.33Å; F951-L986 HydrophobicContact CE2-CD2 4.3Å; F951-L986 HydrophobicContact CZ-CB 4.08Å |
| 952 | E | 87.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175 | -70.4 | 176.3 | -174.9 | 0 | 0 | 110.7 | K948 C954 L955 E956 | K948-E952 WeakPolarHBondContact CE-OE1 3.12Å; K948-E952 IonicContact NZ-OE1 3.61Å; K948-E952 PolarHBondContact O-N 2.81Å; E952-C954 VanDerWaalsContact C-N 3.27Å; E952-C954 PolarHBondContact O-N 3.03Å; E952-L955 WeakPolarHBondContact O-CB 3.37Å; E952-L955 PolarHBondContact O-N 2.93Å; E952-L955 VanDerWaalsContact O-N 3.08Å; E952-E956 PolarHBondContact O-N 3.24Å |
| 953 | L | 85.5 | Confident | 84 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -29.3 | 172.6 | -156.5 | 76.3 | 0 | 0 | 0 | 113.3 | F920 L921 D949 L950 N957 | F920-L953 HydrophobicContact CZ-CD2 3.86Å; L921-L953 HydrophobicContact CD1-CD2 4.43Å; L921-L953 HydrophobicContact CD2-CD2 4.27Å; D949-L953 WeakPolarHBondContact O-CB 3.49Å; D949-L953 PolarHBondContact O-N 3.41Å; D949-L953 VanDerWaalsContact O-N 3.1Å; L950-L953 PolarHBondContact O-N 2.97Å; L953-N957 WeakPolarHBondContact O-CB 3.14Å; L953-N957 PolarHBondContact O-N 2.93Å; L953-N957 VanDerWaalsContact O-N 3.12Å; L953-N957 PolarHBondContact O-ND2 2.99Å |
| 954 | C | 84.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 172.8 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | L950 F951 E952 N958 K959 T962 A963 F966 | L950-C954 PolarHBondContact O-N 2.74Å; L950-C954 PolarHBondContact O-SG 3.3Å; F951-C954 WeakPolarHBondContact O-CB 3.45Å; F951-C954 PolarHBondContact O-N 3.13Å; F951-C954 VanDerWaalsContact O-N 3.11Å; E952-C954 VanDerWaalsContact C-N 3.27Å; E952-C954 PolarHBondContact O-N 3.03Å; C954-N958 PolarHBondContact O-N 3.33Å; C954-K959 PolarHBondContact O-N 2.77Å; C954-T962 PolarHBondContact SG-OG1 3.31Å; C954-A963 HydrophobicContact CB-CB 3.67Å; C954-F966 VanDerWaalsContact SG-CE2 3.55Å |
| 955 | L | 84.1 | Confident | 84.3 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -46.4 | 174.2 | -73.2 | 171 | 0 | 0 | 0 | 111.2 | F951 E952 N957 N958 L960 L986 A989 | F951-L955 HydrophobicContact CD1-CD1 4.22Å; F951-L955 HydrophobicContact CE1-CD1 3.52Å; F951-L955 HydrophobicContact CE1-CG 4.3Å; F951-L955 HydrophobicContact CZ-CD1 3.89Å; F951-L955 HydrophobicContact CZ-CG 4.36Å; F951-L955 PolarHBondContact O-N 2.66Å; F951-L955 VanDerWaalsContact O-N 3.14Å; E952-L955 WeakPolarHBondContact O-CB 3.37Å; E952-L955 PolarHBondContact O-N 2.93Å; E952-L955 VanDerWaalsContact O-N 3.08Å; L955-N957 VanDerWaalsContact C-N 3.34Å; L955-N957 PolarHBondContact O-N 3.36Å; L955-N958 PolarHBondContact O-N 3.4Å; L955-L960 HydrophobicContact CD2-CD2 3.97Å; L955-L986 HydrophobicContact CD2-CD1 3.61Å; L955-A989 HydrophobicContact CD2-CB 4.12Å |
| 956 | E | 85.2 | Confident | 84.4 | Confident | 154 Ų | 154 | 49.4 Ų | 49.4 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58 | -44.2 | 176 | -69.7 | -177.6 | 159.6 | 0 | 0 | 112 | E952 N958 | E952-E956 PolarHBondContact O-N 3.24Å; E956-N958 PolarHBondContact O-N 3.37Å |
| 957 | N | 82.4 | Confident | 84.4 | Confident | 93 Ų | 93 | 43.3 Ų | 43.3 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 6.9 | 175.9 | -72.3 | -69.9 | 0 | 0 | 0 | 114.1 | L953 L955 K959 | L953-N957 WeakPolarHBondContact O-CB 3.14Å; L953-N957 PolarHBondContact O-N 2.93Å; L953-N957 VanDerWaalsContact O-N 3.12Å; L953-N957 PolarHBondContact O-ND2 2.99Å; L955-N957 VanDerWaalsContact C-N 3.34Å; L955-N957 PolarHBondContact O-N 3.36Å; N957-K959 PolarHBondContact O-N 3.5Å |
| 958 | N | 81.2 | Confident | 84.1 | Confident | 122 Ų | 122 | 45.8 Ų | 45.8 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 20.4 | -179.7 | -123.5 | -43.5 | 0 | 0 | 0 | 114.6 | C954 L955 E956 L960 | C954-N958 PolarHBondContact O-N 3.33Å; L955-N958 PolarHBondContact O-N 3.4Å; E956-N958 PolarHBondContact O-N 3.37Å; N958-L960 VanDerWaalsContact C-N 3.35Å; N958-L960 PolarHBondContact O-N 2.8Å; N958-L960 VanDerWaalsContact O-N 3.15Å |
| 959 | K | 82.3 | Confident | 84 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | trans | -89 | 70.2 | 178.6 | -72.4 | -165.7 | 166.3 | -169.1 | 0 | 110.4 | S918 N919 C954 N957 E961 T962 A963 | S918-K959 PolarHBondContact O-NZ 3.13Å; N919-K959 PolarHBondContact OD1-NZ 3.37Å; C954-K959 PolarHBondContact O-N 2.77Å; N957-K959 PolarHBondContact O-N 3.5Å; K959-E961 VanDerWaalsContact C-N 3.32Å; K959-E961 PolarHBondContact O-N 2.77Å; K959-T962 WeakPolarHBondContact CB-OG1 3.45Å; K959-T962 PolarHBondContact O-N 3.31Å; K959-T962 PolarHBondContact O-OG1 2.85Å; K959-A963 PolarHBondContact O-N 3.49Å | ||
| 960 | L | 84.7 | Confident | 83.8 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | -173.2 | -53.2 | -179.4 | 0 | 0 | 0 | 113.5 | L955 N958 A963 A964 L986 A989 S993 L998 | L955-L960 HydrophobicContact CD2-CD2 3.97Å; N958-L960 VanDerWaalsContact C-N 3.35Å; N958-L960 PolarHBondContact O-N 2.8Å; N958-L960 VanDerWaalsContact O-N 3.15Å; L960-A963 WeakPolarHBondContact O-CB 3.1Å; L960-A963 PolarHBondContact O-N 3.28Å; L960-A964 PolarHBondContact O-N 3.23Å; L960-L986 HydrophobicContact CB-CD1 4.08Å; L960-L986 HydrophobicContact CD2-CD1 3.8Å; L960-A989 HydrophobicContact CD1-CB 4.42Å; L960-A989 HydrophobicContact CD2-CB 3.76Å; L960-S993 WeakPolarHBondContact CD1-OG 3.06Å; L960-L998 HydrophobicContact CB-CD1 3.55Å |
| 961 | E | 83.5 | Confident | 83.5 | Confident | 128 Ų | 128 | 44 Ų | 44 | 60% | 0.598 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -71.6 | -31.7 | -179 | -67.3 | 177.2 | -179.7 | 0 | 0 | 112.1 | K959 S965 N995 L998 | K959-E961 VanDerWaalsContact C-N 3.32Å; K959-E961 PolarHBondContact O-N 2.77Å; E961-S965 PolarHBondContact O-N 3.22Å; E961-N995 PolarHBondContact OE1-ND2 3.12Å; E961-L998 HydrophobicContact CG-CD1 3.72Å; E961-L998 HydrophobicContact CG-CG 4.35Å |
| 962 | T | 83.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -77.4 | -36.1 | 171.3 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | E922 C954 K959 A964 S965 F966 | E922-T962 HydrophobicContact CB-CG2 3.64Å; E922-T962 HydrophobicContact CG-CG2 3.91Å; C954-T962 PolarHBondContact SG-OG1 3.31Å; K959-T962 WeakPolarHBondContact CB-OG1 3.45Å; K959-T962 PolarHBondContact O-N 3.31Å; K959-T962 PolarHBondContact O-OG1 2.85Å; T962-A964 PolarHBondContact O-N 3.07Å; T962-S965 PolarHBondContact O-N 3.47Å; T962-S965 VanDerWaalsContact O-N 3.13Å; T962-S965 PolarHBondContact O-OG 2.93Å; T962-F966 VanDerWaalsContact O-CD2 3.27Å; T962-F966 WeakPolarHBondContact O-CD2 3.49Å; T962-F966 PolarHBondContact O-N 3.36Å; T962-F966 VanDerWaalsContact O-N 3.14Å |
| 963 | A | 86 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -36.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F951 C954 K959 L960 F966 L967 L986 | F951-A963 HydrophobicContact CD2-CB 4.02Å; F951-A963 WeakPolarHBondContact CD2-O 3.21Å; F951-A963 HydrophobicContact CE2-CB 3.91Å; F951-A963 WeakPolarHBondContact CE2-O 3.5Å; C954-A963 HydrophobicContact CB-CB 3.67Å; K959-A963 PolarHBondContact O-N 3.49Å; L960-A963 WeakPolarHBondContact O-CB 3.1Å; L960-A963 PolarHBondContact O-N 3.28Å; A963-F966 PolarHBondContact O-N 3.11Å; A963-L967 PolarHBondContact O-N 3.1Å; A963-L986 HydrophobicContact CB-CD1 3.58Å; A963-L986 HydrophobicContact CB-CD2 4.04Å; A963-L986 HydrophobicContact CB-CG 4.47Å |
| 964 | A | 85.6 | Confident | 82.2 | Confident | 29 Ų | 29 | 47 Ų | 47 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L960 T962 F966 L967 L986 L998 | L960-A964 PolarHBondContact O-N 3.23Å; T962-A964 PolarHBondContact O-N 3.07Å; A964-F966 VanDerWaalsContact C-N 3.34Å; A964-L967 PolarHBondContact O-N 2.97Å; A964-L986 HydrophobicContact CB-CD2 3.83Å; A964-L998 HydrophobicContact CB-CD2 4Å; A964-L998 HydrophobicContact CB-CG 4.48Å |
| 965 | S | 83.3 | Confident | 81.7 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73 | -24.8 | 176.7 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | A925 E961 T962 | A925-S965 WeakPolarHBondContact CB-OG 3.45Å; E961-S965 PolarHBondContact O-N 3.22Å; T962-S965 PolarHBondContact O-N 3.47Å; T962-S965 VanDerWaalsContact O-N 3.13Å; T962-S965 PolarHBondContact O-OG 2.93Å |
| 966 | F | 84.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -23.7 | 169.5 | -81.8 | -71.7 | 0 | 0 | 0 | 114.4 | L921 L924 A925 L950 F951 C954 T962 A963 A964 I968 L969 L970 | L921-F966 WeakPolarHBondContact O-CE2 3.23Å; L924-F966 HydrophobicContact CB-CZ 4.36Å; A925-F966 HydrophobicContact CB-CD1 4.44Å; A925-F966 HydrophobicContact CB-CD2 4.02Å; A925-F966 HydrophobicContact CB-CE1 4.17Å; A925-F966 HydrophobicContact CB-CE2 3.74Å; A925-F966 HydrophobicContact CB-CG 4.35Å; A925-F966 HydrophobicContact CB-CZ 3.81Å; L950-F966 HydrophobicContact CB-CE1 4.04Å; L950-F966 HydrophobicContact CB-CZ 4.04Å; L950-F966 HydrophobicContact CD1-CE1 4.16Å; L950-F966 HydrophobicContact CD1-CZ 4.41Å; F951-F966 HydrophobicContact CB-CB 4.25Å; F951-F966 HydrophobicContact CD2-CB 4.22Å; C954-F966 VanDerWaalsContact SG-CE2 3.55Å; T962-F966 VanDerWaalsContact O-CD2 3.27Å; T962-F966 WeakPolarHBondContact O-CD2 3.49Å; T962-F966 PolarHBondContact O-N 3.36Å; T962-F966 VanDerWaalsContact O-N 3.14Å; A963-F966 PolarHBondContact O-N 3.11Å; A964-F966 VanDerWaalsContact C-N 3.34Å; F966-I968 VanDerWaalsContact C-N 3.27Å; F966-I968 PolarHBondContact O-N 3.12Å; F966-L969 HydrophobicContact CD1-CD1 3.68Å; F966-L969 HydrophobicContact CE1-CD1 4.04Å; F966-L969 WeakPolarHBondContact O-CB 3.42Å; F966-L969 PolarHBondContact O-N 2.86Å; F966-L969 VanDerWaalsContact O-N 3.13Å; F966-L970 PolarHBondContact O-N 3.22Å |
| 967 | L | 83 | Confident | 80.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -32.3 | -179.5 | -70 | 175 | 0 | 0 | 0 | 113.5 | F951 A963 A964 L970 Q971 C982 A983 L986 L1002 F1005 | F951-L967 HydrophobicContact CD2-CD2 4.23Å; F951-L967 HydrophobicContact CE2-CD2 3.65Å; F951-L967 HydrophobicContact CE2-CG 4.05Å; F951-L967 HydrophobicContact CZ-CD2 4.15Å; A963-L967 PolarHBondContact O-N 3.1Å; A964-L967 PolarHBondContact O-N 2.97Å; L967-L970 HydrophobicContact CD2-CD1 4.29Å; L967-L970 PolarHBondContact O-N 2.92Å; L967-Q971 PolarHBondContact O-N 3.03Å; L967-C982 HydrophobicContact CD2-CB 3.92Å; L967-A983 HydrophobicContact CD1-CB 4.02Å; L967-A983 HydrophobicContact CD2-CB 4.15Å; L967-L986 HydrophobicContact CD1-CD2 3.85Å; L967-L986 HydrophobicContact CG-CD2 4.49Å; L967-L1002 HydrophobicContact CD1-CD2 3.49Å; L967-L1002 VanDerWaalsContact CD1-CD2 3.49Å; L967-F1005 HydrophobicContact CB-CE1 3.65Å; L967-F1005 HydrophobicContact CB-CZ 3.73Å; L967-F1005 HydrophobicContact CD1-CD1 4.23Å; L967-F1005 HydrophobicContact CD1-CE1 4Å; L967-F1005 HydrophobicContact CG-CE1 4.33Å |
| 968 | I | 77.5 | Confident | 80.4 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 176.1 | -66.6 | 167.3 | 0 | 0 | 0 | 110.8 | F966 Q971 T972 F1005 | F966-I968 VanDerWaalsContact C-N 3.27Å; F966-I968 PolarHBondContact O-N 3.12Å; I968-Q971 PolarHBondContact O-N 2.88Å; I968-T972 PolarHBondContact O-OG1 3.31Å; I968-F1005 HydrophobicContact CG1-CE2 4.12Å |
| 969 | L | 81.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | 175.1 | -59.9 | 168.5 | 0 | 0 | 0 | 110 | R929 W936 F966 Q971 T972 S973 | R929-L969 HydrophobicContact CG-CD2 4.14Å; R929-L969 HydrophobicContact CG-CG 4.31Å; W936-L969 HydrophobicContact CD2-CD2 4.34Å; W936-L969 HydrophobicContact CE3-CD2 4.27Å; W936-L969 HydrophobicContact CH2-CD2 3.47Å; W936-L969 VanDerWaalsContact CH2-CD2 3.47Å; W936-L969 HydrophobicContact CZ2-CD2 3.51Å; W936-L969 HydrophobicContact CZ3-CB 4.42Å; W936-L969 HydrophobicContact CZ3-CD2 3.85Å; F966-L969 HydrophobicContact CD1-CD1 3.68Å; F966-L969 HydrophobicContact CE1-CD1 4.04Å; F966-L969 WeakPolarHBondContact O-CB 3.42Å; F966-L969 PolarHBondContact O-N 2.86Å; F966-L969 VanDerWaalsContact O-N 3.13Å; L969-Q971 VanDerWaalsContact C-N 3.32Å; L969-Q971 PolarHBondContact O-N 3.14Å; L969-T972 PolarHBondContact O-N 2.98Å; L969-T972 PolarHBondContact O-OG1 3.11Å; L969-T972 VanDerWaalsContact O-OG1 3.12Å; L969-S973 PolarHBondContact O-N 3.26Å; L969-S973 PolarHBondContact O-OG 2.89Å |
| 970 | L | 82.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -38 | 176.6 | -77.9 | 167.4 | 0 | 0 | 0 | 113.3 | P947 K948 F951 F966 L967 T972 S973 E974 C982 | P947-L970 HydrophobicContact CB-CD2 4.01Å; P947-L970 HydrophobicContact CB-CG 4.42Å; K948-L970 HydrophobicContact CB-CD2 4.08Å; F951-L970 HydrophobicContact CB-CD1 3.96Å; F951-L970 HydrophobicContact CD1-CD1 4.43Å; F951-L970 HydrophobicContact CD2-CD1 4.11Å; F951-L970 HydrophobicContact CG-CD1 3.9Å; F966-L970 PolarHBondContact O-N 3.22Å; L967-L970 HydrophobicContact CD2-CD1 4.29Å; L967-L970 PolarHBondContact O-N 2.92Å; L970-T972 PolarHBondContact O-N 3.24Å; L970-S973 PolarHBondContact O-N 3.36Å; L970-E974 HydrophobicContact CD2-CB 4.5Å; L970-E974 HydrophobicContact CD2-CG 4.31Å; L970-E974 PolarHBondContact O-N 2.96Å; L970-C982 HydrophobicContact CD1-CB 4.28Å |
| 971 | Q | 78.7 | Confident | 79.9 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -25.8 | 176.7 | -172.3 | -178.5 | 5.7 | 0 | 0 | 113 | L967 I968 L969 L976 | L967-Q971 PolarHBondContact O-N 3.03Å; I968-Q971 PolarHBondContact O-N 2.88Å; L969-Q971 VanDerWaalsContact C-N 3.32Å; L969-Q971 PolarHBondContact O-N 3.14Å; Q971-L976 HydrophobicContact CG-CD2 4.02Å |
| 972 | T | 76.9 | Confident | 79.9 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -102.5 | -23 | -179.8 | 21.1 | 0 | 0 | 0 | 0 | 113.6 | W936 I968 L969 L970 | W936-T972 VanDerWaalsContact CH2-OG1 3.24Å; W936-T972 WeakPolarHBondContact CH2-OG1 3.23Å; W936-T972 WeakPolarHBondContact CZ3-OG1 3.33Å; I968-T972 PolarHBondContact O-OG1 3.31Å; L969-T972 PolarHBondContact O-N 2.98Å; L969-T972 PolarHBondContact O-OG1 3.11Å; L969-T972 VanDerWaalsContact O-OG1 3.12Å; L970-T972 PolarHBondContact O-N 3.24Å |
| 973 | S | 75.8 | Confident | 79.8 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -97.5 | -25.6 | -179.9 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | L969 L970 | L969-S973 PolarHBondContact O-N 3.26Å; L969-S973 PolarHBondContact O-OG 2.89Å; L970-S973 PolarHBondContact O-N 3.36Å |
| 974 | E | 78.8 | Confident | 79.6 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -129.5 | 156.3 | -174.9 | -72 | -161.4 | -178.2 | 0 | 0 | 111.8 | L970 V978 | L970-E974 HydrophobicContact CD2-CB 4.5Å; L970-E974 HydrophobicContact CD2-CG 4.31Å; L970-E974 PolarHBondContact O-N 2.96Å; E974-V978 WeakPolarHBondContact OE2-CG1 3.33Å |
| 975 | P | 75.4 | Confident | 79.5 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 57% | 0.571 | 23% | 0.23 | S | C | * | . | trans | -60.2 | 143.1 | 179.1 | 23.4 | -34 | 0 | 0 | 0 | 112.3 | S977 V978 S979 | P975-S977 PolarHBondContact O-N 3.45Å; P975-V978 HydrophobicContact CG-CG2 4.17Å; P975-V978 PolarHBondContact O-N 3.43Å; P975-S979 PolarHBondContact O-N 2.92Å | ||
| 976 | L | 72.9 | Confident | 79.6 | Confident | 98 Ų | 98 | 41 Ų | 41 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -50.8 | -31.4 | -173 | -69.4 | 170 | 0 | 0 | 0 | 114.6 | Q971 V978 S979 W980 | Q971-L976 HydrophobicContact CG-CD2 4.02Å; L976-V978 VanDerWaalsContact C-N 3.35Å; L976-V978 PolarHBondContact O-N 2.89Å; L976-S979 PolarHBondContact O-N 3Å; L976-W980 VanDerWaalsContact O-CB 3.27Å; L976-W980 WeakPolarHBondContact O-CB 3.36Å; L976-W980 PolarHBondContact O-N 3.11Å |
| 977 | S | 74.2 | Confident | 79.4 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 43% | 0.427 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.7 | 50.5 | 0 | 0 | 0 | 0 | 113 | P975 W980 E981 | P975-S977 PolarHBondContact O-N 3.45Å; S977-W980 PolarHBondContact O-N 2.88Å; S977-E981 WeakPolarHBondContact O-CG 3.05Å; S977-E981 PolarHBondContact O-N 3.43Å |
| 978 | V | 76.7 | Confident | 79.2 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.1 | -37.4 | -179.6 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | K948 E974 P975 L976 W980 E981 C982 | K948-V978 HydrophobicContact CD-CG1 3.98Å; E974-V978 WeakPolarHBondContact OE2-CG1 3.33Å; P975-V978 HydrophobicContact CG-CG2 4.17Å; P975-V978 PolarHBondContact O-N 3.43Å; L976-V978 VanDerWaalsContact C-N 3.35Å; L976-V978 PolarHBondContact O-N 2.89Å; V978-W980 VanDerWaalsContact C-N 3.3Å; V978-W980 PolarHBondContact O-N 2.97Å; V978-E981 PolarHBondContact O-N 3.07Å; V978-C982 WeakPolarHBondContact O-CB 3.39Å; V978-C982 PolarHBondContact O-N 3.24Å; V978-C982 PolarHBondContact O-SG 2.57Å |
| 979 | S | 79.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | P975 L976 C982 A983 | P975-S979 PolarHBondContact O-N 2.92Å; L976-S979 PolarHBondContact O-N 3Å; S979-C982 PolarHBondContact O-N 2.82Å; S979-A983 WeakPolarHBondContact O-CB 3.03Å; S979-A983 PolarHBondContact O-N 3.26Å |
| 980 | W | 77 | Confident | 79.2 | Confident | 46 Ų | 46 | 44 Ų | 44 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 177.5 | -177 | 89.1 | 0 | 0 | 0 | 113.2 | L976 S977 V978 A983 L984 I1009 I1097 L1115 | L976-W980 VanDerWaalsContact O-CB 3.27Å; L976-W980 WeakPolarHBondContact O-CB 3.36Å; L976-W980 PolarHBondContact O-N 3.11Å; S977-W980 PolarHBondContact O-N 2.88Å; V978-W980 VanDerWaalsContact C-N 3.3Å; V978-W980 PolarHBondContact O-N 2.97Å; W980-A983 PolarHBondContact O-N 2.62Å; W980-L984 HydrophobicContact CD2-CD1 4.16Å; W980-L984 HydrophobicContact CE3-CD1 4.01Å; W980-L984 HydrophobicContact CH2-CD1 3.38Å; W980-L984 HydrophobicContact CZ2-CD1 3.53Å; W980-L984 HydrophobicContact CZ2-CG 4.4Å; W980-L984 HydrophobicContact CZ3-CD1 3.64Å; W980-L984 PolarHBondContact O-N 2.87Å; W980-I1009 HydrophobicContact CB-CG2 4.47Å; W980-I1097 HydrophobicContact CH2-CB 4.12Å; W980-I1097 HydrophobicContact CH2-CD1 4.13Å; W980-I1097 HydrophobicContact CH2-CG2 3.56Å; W980-I1097 HydrophobicContact CZ2-CD1 4.45Å; W980-I1097 HydrophobicContact CZ2-CG2 3.97Å; W980-L1115 HydrophobicContact CZ2-CD1 4Å; W980-L1115 HydrophobicContact CZ2-CD2 4.31Å |
| 981 | E | 81.2 | Confident | 78.8 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.9 | -50 | 171.7 | -78.7 | 178.6 | 171.5 | 0 | 0 | 111.1 | S977 V978 A983 L984 T985 | S977-E981 WeakPolarHBondContact O-CG 3.05Å; S977-E981 PolarHBondContact O-N 3.43Å; V978-E981 PolarHBondContact O-N 3.07Å; E981-A983 PolarHBondContact O-N 3.21Å; E981-L984 PolarHBondContact O-N 3.04Å; E981-L984 VanDerWaalsContact O-N 3.14Å; E981-T985 PolarHBondContact O-N 3.41Å; E981-T985 PolarHBondContact O-OG1 3.1Å |
| 982 | C | 82.9 | Confident | 78.5 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | F951 L967 L970 V978 S979 L984 T985 L986 | F951-C982 HydrophobicContact CD1-CB 4.1Å; F951-C982 HydrophobicContact CE1-CB 3.53Å; F951-C982 HydrophobicContact CE2-CB 4.41Å; F951-C982 HydrophobicContact CZ-CB 3.72Å; F951-C982 VanDerWaalsContact CZ-O 3.28Å; F951-C982 WeakPolarHBondContact CZ-O 3.44Å; L967-C982 HydrophobicContact CD2-CB 3.92Å; L970-C982 HydrophobicContact CD1-CB 4.28Å; V978-C982 WeakPolarHBondContact O-CB 3.39Å; V978-C982 PolarHBondContact O-N 3.24Å; V978-C982 PolarHBondContact O-SG 2.57Å; S979-C982 PolarHBondContact O-N 2.82Å; C982-L984 VanDerWaalsContact C-N 3.29Å; C982-L984 PolarHBondContact O-N 3.42Å; C982-T985 WeakPolarHBondContact CA-OG1 3.15Å; C982-T985 PolarHBondContact O-N 3.43Å; C982-T985 PolarHBondContact O-OG1 3.47Å; C982-L986 PolarHBondContact O-N 2.83Å |
| 983 | A | 82.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L967 S979 W980 E981 F987 F1005 L1006 | L967-A983 HydrophobicContact CD1-CB 4.02Å; L967-A983 HydrophobicContact CD2-CB 4.15Å; S979-A983 WeakPolarHBondContact O-CB 3.03Å; S979-A983 PolarHBondContact O-N 3.26Å; W980-A983 PolarHBondContact O-N 2.62Å; E981-A983 PolarHBondContact O-N 3.21Å; A983-F987 WeakPolarHBondContact O-CB 3.36Å; A983-F987 PolarHBondContact O-N 2.99Å; A983-F1005 HydrophobicContact CB-CD1 4.36Å; A983-F1005 HydrophobicContact CB-CE1 4.31Å; A983-L1006 HydrophobicContact CB-CD2 3.63Å; A983-L1006 HydrophobicContact CB-CG 4.26Å |
| 984 | L | 80.2 | Confident | 77.9 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -37.1 | 173.6 | -75.9 | -175.6 | 0 | 0 | 0 | 113.7 | W980 E981 C982 L986 F987 R988 L1006 | W980-L984 HydrophobicContact CD2-CD1 4.16Å; W980-L984 HydrophobicContact CE3-CD1 4.01Å; W980-L984 HydrophobicContact CH2-CD1 3.38Å; W980-L984 HydrophobicContact CZ2-CD1 3.53Å; W980-L984 HydrophobicContact CZ2-CG 4.4Å; W980-L984 HydrophobicContact CZ3-CD1 3.64Å; W980-L984 PolarHBondContact O-N 2.87Å; E981-L984 PolarHBondContact O-N 3.04Å; E981-L984 VanDerWaalsContact O-N 3.14Å; C982-L984 VanDerWaalsContact C-N 3.29Å; C982-L984 PolarHBondContact O-N 3.42Å; L984-L986 VanDerWaalsContact C-N 3.34Å; L984-F987 PolarHBondContact O-N 2.84Å; L984-R988 WeakPolarHBondContact O-CG 3.24Å; L984-R988 PolarHBondContact O-N 2.85Å; L984-L1006 HydrophobicContact CD2-CD1 4.12Å; L984-L1006 HydrophobicContact CD2-CD2 4.26Å; L984-L1006 HydrophobicContact CG-CD2 4.42Å |
| 985 | T | 84.1 | Confident | 77.6 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 171.7 | 4.9 | 0 | 0 | 0 | 0 | 110.8 | E981 C982 F987 R988 A989 | E981-T985 PolarHBondContact O-N 3.41Å; E981-T985 PolarHBondContact O-OG1 3.1Å; C982-T985 WeakPolarHBondContact CA-OG1 3.15Å; C982-T985 PolarHBondContact O-N 3.43Å; C982-T985 PolarHBondContact O-OG1 3.47Å; T985-F987 VanDerWaalsContact C-N 3.35Å; T985-F987 PolarHBondContact O-N 3.2Å; T985-R988 PolarHBondContact O-N 2.83Å; T985-A989 PolarHBondContact O-N 2.99Å |
| 986 | L | 85 | Confident | 77.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 175.7 | -168.2 | 63.7 | 0 | 0 | 0 | 112.2 | F951 L955 L960 A963 A964 L967 C982 L984 R988 A989 S990 L998 L1002 | F951-L986 HydrophobicContact CE2-CB 4.33Å; F951-L986 HydrophobicContact CE2-CD2 4.3Å; F951-L986 HydrophobicContact CZ-CB 4.08Å; L955-L986 HydrophobicContact CD2-CD1 3.61Å; L960-L986 HydrophobicContact CB-CD1 4.08Å; L960-L986 HydrophobicContact CD2-CD1 3.8Å; A963-L986 HydrophobicContact CB-CD1 3.58Å; A963-L986 HydrophobicContact CB-CD2 4.04Å; A963-L986 HydrophobicContact CB-CG 4.47Å; A964-L986 HydrophobicContact CB-CD2 3.83Å; L967-L986 HydrophobicContact CD1-CD2 3.85Å; L967-L986 HydrophobicContact CG-CD2 4.49Å; C982-L986 PolarHBondContact O-N 2.83Å; L984-L986 VanDerWaalsContact C-N 3.34Å; L986-R988 VanDerWaalsContact C-N 3.33Å; L986-R988 PolarHBondContact O-N 2.97Å; L986-A989 PolarHBondContact O-N 2.85Å; L986-S990 VanDerWaalsContact O-CB 3.3Å; L986-S990 WeakPolarHBondContact O-CB 3.45Å; L986-S990 PolarHBondContact O-N 3.24Å; L986-S990 PolarHBondContact O-OG 3.43Å; L986-L998 HydrophobicContact CD2-CD2 4.34Å; L986-L1002 HydrophobicContact CB-CD1 4.32Å; L986-L1002 HydrophobicContact CD2-CD1 4.16Å; L986-L1002 HydrophobicContact CD2-CD2 4.29Å; L986-L1002 HydrophobicContact CG-CD1 4.01Å |
| 987 | F | 82.1 | Confident | 77.6 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 4% | 0.044 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.2 | -167.9 | -104.2 | 0 | 0 | 0 | 112.2 | A983 L984 T985 S990 L991 I999 L1002 L1003 L1006 L1119 L1123 | A983-F987 WeakPolarHBondContact O-CB 3.36Å; A983-F987 PolarHBondContact O-N 2.99Å; L984-F987 PolarHBondContact O-N 2.84Å; T985-F987 VanDerWaalsContact C-N 3.35Å; T985-F987 PolarHBondContact O-N 3.2Å; F987-S990 PolarHBondContact O-N 3.46Å; F987-L991 HydrophobicContact CD1-CD1 3.83Å; F987-L991 HydrophobicContact CE1-CD1 3.64Å; F987-L991 HydrophobicContact CE1-CG 4.47Å; F987-L991 HydrophobicContact CZ-CD1 4.37Å; F987-L991 WeakPolarHBondContact O-CG 3.08Å; F987-L991 PolarHBondContact O-N 2.95Å; F987-I999 HydrophobicContact CE2-CG2 3.67Å; F987-I999 HydrophobicContact CZ-CG2 4.05Å; F987-L1002 HydrophobicContact CB-CD1 4.27Å; F987-L1002 HydrophobicContact CD2-CB 3.98Å; F987-L1002 HydrophobicContact CD2-CD1 4.18Å; F987-L1003 HydrophobicContact CE2-CD1 4.23Å; F987-L1003 HydrophobicContact CE2-CG 3.85Å; F987-L1003 HydrophobicContact CZ-CD1 4.2Å; F987-L1003 HydrophobicContact CZ-CG 4.08Å; F987-L1006 HydrophobicContact CB-CD1 4.39Å; F987-L1006 HydrophobicContact CD2-CD1 4.18Å; F987-L1006 HydrophobicContact CG-CD1 4.29Å; F987-L1119 HydrophobicContact CD1-CD2 4.4Å; F987-L1119 HydrophobicContact CE1-CD2 3.75Å; F987-L1119 HydrophobicContact CZ-CD2 4.06Å; F987-L1123 HydrophobicContact CZ-CD1 4.29Å; F987-L1123 HydrophobicContact CZ-CD2 4.45Å |
| 988 | R | 76.9 | Confident | 77.7 | Confident | 102 Ų | 102 | 38.4 Ų | 38.4 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 174.2 | -72 | 172.3 | 178 | 167 | 2.2 | 112.1 | L984 T985 L986 S990 L991 Q992 C1094 | L984-R988 WeakPolarHBondContact O-CG 3.24Å; L984-R988 PolarHBondContact O-N 2.85Å; T985-R988 PolarHBondContact O-N 2.83Å; L986-R988 VanDerWaalsContact C-N 3.33Å; L986-R988 PolarHBondContact O-N 2.97Å; R988-S990 VanDerWaalsContact C-N 3.3Å; R988-S990 PolarHBondContact O-N 3Å; R988-L991 PolarHBondContact O-N 2.91Å; R988-Q992 PolarHBondContact O-N 3.15Å; R988-C1094 PolarHBondContact NH2-SG 2.97Å |
| 989 | A | 79.4 | Confident | 77.7 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L955 L960 T985 L986 L991 Q992 S993 | L955-A989 HydrophobicContact CD2-CB 4.12Å; L960-A989 HydrophobicContact CD1-CB 4.42Å; L960-A989 HydrophobicContact CD2-CB 3.76Å; T985-A989 PolarHBondContact O-N 2.99Å; L986-A989 PolarHBondContact O-N 2.85Å; A989-L991 PolarHBondContact O-N 3.25Å; A989-Q992 PolarHBondContact O-N 3.46Å; A989-S993 WeakPolarHBondContact O-CB 3.48Å; A989-S993 PolarHBondContact O-N 3.01Å; A989-S993 PolarHBondContact O-OG 2.9Å |
| 990 | S | 80.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | L986 F987 R988 S993 M994 N995 | L986-S990 VanDerWaalsContact O-CB 3.3Å; L986-S990 WeakPolarHBondContact O-CB 3.45Å; L986-S990 PolarHBondContact O-N 3.24Å; L986-S990 PolarHBondContact O-OG 3.43Å; F987-S990 PolarHBondContact O-N 3.46Å; R988-S990 VanDerWaalsContact C-N 3.3Å; R988-S990 PolarHBondContact O-N 3Å; S990-S993 PolarHBondContact O-OG 2.81Å; S990-M994 PolarHBondContact O-N 3.42Å; S990-N995 PolarHBondContact O-N 3.44Å; S990-N995 VanDerWaalsContact O-N 3.14Å |
| 991 | L | 72.8 | Confident | 77.3 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 172.7 | -78.3 | 164.9 | 0 | 0 | 0 | 112.4 | F987 R988 A989 M994 I999 L1123 L1142 | F987-L991 HydrophobicContact CD1-CD1 3.83Å; F987-L991 HydrophobicContact CE1-CD1 3.64Å; F987-L991 HydrophobicContact CE1-CG 4.47Å; F987-L991 HydrophobicContact CZ-CD1 4.37Å; F987-L991 WeakPolarHBondContact O-CG 3.08Å; F987-L991 PolarHBondContact O-N 2.95Å; R988-L991 PolarHBondContact O-N 2.91Å; A989-L991 PolarHBondContact O-N 3.25Å; L991-M994 PolarHBondContact O-N 3.04Å; L991-I999 HydrophobicContact CD2-CD1 3.89Å; L991-I999 HydrophobicContact CG-CD1 4.22Å; L991-L1123 HydrophobicContact CD2-CD2 4.3Å; L991-L1142 HydrophobicContact CD2-CD1 4.29Å |
| 992 | Q | 72.4 | Confident | 77.2 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.5 | -71 | 170.9 | -52.7 | 0 | 0 | 112 | R988 A989 L1082 | R988-Q992 PolarHBondContact O-N 3.15Å; A989-Q992 PolarHBondContact O-N 3.46Å; Q992-L1082 HydrophobicContact CG-CD1 4.19Å; Q992-L1082 HydrophobicContact CG-CG 4.41Å |
| 993 | S | 70.8 | Confident | 76.8 | Confident | 55 Ų | 55 | 36.9 Ų | 36.9 | 39% | 0.385 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.2 | 179.2 | 75.2 | 0 | 0 | 0 | 0 | 114.7 | L960 A989 S990 N995 | L960-S993 WeakPolarHBondContact CD1-OG 3.06Å; A989-S993 WeakPolarHBondContact O-CB 3.48Å; A989-S993 PolarHBondContact O-N 3.01Å; A989-S993 PolarHBondContact O-OG 2.9Å; S990-S993 PolarHBondContact O-OG 2.81Å; S993-N995 VanDerWaalsContact C-N 3.31Å; S993-N995 PolarHBondContact O-N 2.9Å |
| 994 | M | 69.8 | Low | 76.4 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.8 | -178.9 | -61.5 | -92.6 | 162.5 | 0 | 0 | 114.7 | S990 L991 W996 M1080 R1138 | S990-M994 PolarHBondContact O-N 3.42Å; L991-M994 PolarHBondContact O-N 3.04Å; M994-W996 HydrophobicContact CB-CZ2 4.46Å; M994-W996 PolarHBondContact O-N 2.84Å; M994-W996 VanDerWaalsContact O-N 3.13Å; M994-W996 PolarHBondContact O-NE1 2.93Å; M994-W996 HydrophobicContact SD-CH2 3.83Å; M994-W996 HydrophobicContact SD-CZ2 3.38Å; M994-W996 WeakPolarHBondContact SD-CZ2 3.38Å; M994-M1080 HydrophobicContact CE-CE 3.37Å; M994-M1080 HydrophobicContact CE-SD 3.79Å; M994-R1138 HydrophobicContact CE-CB 4.17Å; M994-R1138 HydrophobicContact CE-CG 3.92Å |
| 995 | N | 73.1 | Confident | 76.2 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.203 | 20% | 0.197 | C | C | . | . | trans | -86.5 | 82.4 | -179.6 | -166.7 | -10.2 | 0 | 0 | 0 | 112 | E961 S990 S993 N997 L998 I999 | E961-N995 PolarHBondContact OE1-ND2 3.12Å; S990-N995 PolarHBondContact O-N 3.44Å; S990-N995 VanDerWaalsContact O-N 3.14Å; S993-N995 VanDerWaalsContact C-N 3.31Å; S993-N995 PolarHBondContact O-N 2.9Å; N995-N997 PolarHBondContact O-N 2.89Å; N995-L998 HydrophobicContact CB-CB 4.16Å; N995-L998 WeakPolarHBondContact O-CB 3.23Å; N995-L998 PolarHBondContact O-N 2.84Å; N995-I999 WeakPolarHBondContact O-CG1 3.13Å; N995-I999 PolarHBondContact O-N 2.96Å | ||
| 996 | W | 73.9 | Confident | 75.7 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -34.7 | -170.4 | -58.3 | 113.3 | 0 | 0 | 0 | 116.1 | M994 I999 R1000 Q1141 L1142 N1145 I1146 | M994-W996 HydrophobicContact CB-CZ2 4.46Å; M994-W996 PolarHBondContact O-N 2.84Å; M994-W996 VanDerWaalsContact O-N 3.13Å; M994-W996 PolarHBondContact O-NE1 2.93Å; M994-W996 HydrophobicContact SD-CH2 3.83Å; M994-W996 HydrophobicContact SD-CZ2 3.38Å; M994-W996 WeakPolarHBondContact SD-CZ2 3.38Å; W996-I999 HydrophobicContact CD2-CD1 4.36Å; W996-I999 HydrophobicContact CE3-CD1 3.61Å; W996-I999 HydrophobicContact CZ3-CD1 3.84Å; W996-R1000 PolarHBondContact O-N 2.86Å; W996-R1000 VanDerWaalsContact O-N 3.09Å; W996-Q1141 HydrophobicContact CZ2-CB 3.76Å; W996-L1142 VanDerWaalsContact CH2-CA 3.48Å; W996-L1142 HydrophobicContact CH2-CB 3.56Å; W996-L1142 HydrophobicContact CH2-CD1 4.11Å; W996-L1142 HydrophobicContact CH2-CG 3.88Å; W996-L1142 HydrophobicContact CZ2-CB 4.47Å; W996-L1142 HydrophobicContact CZ3-CB 3.93Å; W996-L1142 HydrophobicContact CZ3-CD1 4.27Å; W996-L1142 HydrophobicContact CZ3-CG 3.84Å; W996-N1145 HydrophobicContact CB-CB 4.06Å; W996-N1145 HydrophobicContact CD2-CB 4.1Å; W996-N1145 HydrophobicContact CE3-CB 4.24Å; W996-N1145 HydrophobicContact CG-CB 4.03Å; W996-N1145 PolarHBondContact NE1-ND2 3.18Å; W996-I1146 HydrophobicContact CZ3-CD1 4.44Å |
| 997 | N | 73.7 | Confident | 74.9 | Confident | 105 Ų | 105 | 38.6 Ų | 38.6 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -63.4 | -49 | 177.2 | -69.6 | -29.3 | 0 | 0 | 0 | 110.3 | N995 R1000 D1001 | N995-N997 PolarHBondContact O-N 2.89Å; N997-R1000 PolarHBondContact O-N 2.99Å; N997-D1001 PolarHBondContact O-N 3.01Å |
| 998 | L | 77 | Confident | 74.4 | Confident | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.6 | -151.1 | -179.4 | 0 | 0 | 0 | 111 | L960 E961 A964 L986 N995 R1000 D1001 L1002 | L960-L998 HydrophobicContact CB-CD1 3.55Å; E961-L998 HydrophobicContact CG-CD1 3.72Å; E961-L998 HydrophobicContact CG-CG 4.35Å; A964-L998 HydrophobicContact CB-CD2 4Å; A964-L998 HydrophobicContact CB-CG 4.48Å; L986-L998 HydrophobicContact CD2-CD2 4.34Å; N995-L998 HydrophobicContact CB-CB 4.16Å; N995-L998 WeakPolarHBondContact O-CB 3.23Å; N995-L998 PolarHBondContact O-N 2.84Å; L998-R1000 PolarHBondContact O-N 2.84Å; L998-D1001 PolarHBondContact O-N 3.16Å; L998-L1002 HydrophobicContact CD2-CD1 3.44Å; L998-L1002 VanDerWaalsContact CD2-CD1 3.44Å; L998-L1002 HydrophobicContact CD2-CG 3.77Å; L998-L1002 VanDerWaalsContact O-CB 3.27Å; L998-L1002 WeakPolarHBondContact O-CB 3.34Å; L998-L1002 WeakPolarHBondContact O-CG 3.4Å; L998-L1002 PolarHBondContact O-N 3.15Å |
| 999 | I | 76.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.4 | -47.3 | 174.4 | -67.7 | 165.7 | 0 | 0 | 0 | 111.5 | F987 L991 N995 W996 L1003 I1146 | F987-I999 HydrophobicContact CE2-CG2 3.67Å; F987-I999 HydrophobicContact CZ-CG2 4.05Å; L991-I999 HydrophobicContact CD2-CD1 3.89Å; L991-I999 HydrophobicContact CG-CD1 4.22Å; N995-I999 WeakPolarHBondContact O-CG1 3.13Å; N995-I999 PolarHBondContact O-N 2.96Å; W996-I999 HydrophobicContact CD2-CD1 4.36Å; W996-I999 HydrophobicContact CE3-CD1 3.61Å; W996-I999 HydrophobicContact CZ3-CD1 3.84Å; I999-L1003 WeakPolarHBondContact O-CB 3.45Å; I999-L1003 PolarHBondContact O-N 2.85Å; I999-I1146 HydrophobicContact CG2-CD1 3.74Å |
| 1000 | R | 73.2 | Confident | 73.1 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 25% | 0.253 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.7 | -43 | -178.2 | -175.4 | -163.3 | 67.7 | -159.2 | -10.3 | 111.9 | W996 N997 L998 L1003 R1004 | W996-R1000 PolarHBondContact O-N 2.86Å; W996-R1000 VanDerWaalsContact O-N 3.09Å; N997-R1000 PolarHBondContact O-N 2.99Å; L998-R1000 PolarHBondContact O-N 2.84Å; R1000-L1003 WeakPolarHBondContact O-CB 3.47Å; R1000-L1003 PolarHBondContact O-N 3.37Å; R1000-R1004 VanDerWaalsContact CD-NH2 3.31Å; R1000-R1004 PolarHBondContact O-N 3.17Å |
| 1001 | D | 74.9 | Confident | 71.9 | Confident | 71 Ų | 71 | 40.9 Ų | 40.9 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -77 | -29.1 | -176.3 | -59.8 | -22.3 | 0 | 0 | 0 | 110.8 | N997 L998 R1004 F1005 | N997-D1001 PolarHBondContact O-N 3.01Å; L998-D1001 PolarHBondContact O-N 3.16Å; D1001-R1004 PolarHBondContact O-N 3.01Å; D1001-R1004 IonicContact OD1-CZ 2.61Å; D1001-R1004 IonicContact OD1-NH1 2.66Å; D1001-R1004 PolarHBondContact OD1-NH1 3.27Å; D1001-F1005 PolarHBondContact O-N 3.42Å; D1001-F1005 VanDerWaalsContact O-N 3.12Å |
| 1002 | L | 79 | Confident | 70.9 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 162.3 | -88 | 173 | 0 | 0 | 0 | 113.4 | L967 L986 F987 L998 R1004 F1005 L1006 | L967-L1002 HydrophobicContact CD1-CD2 3.49Å; L967-L1002 VanDerWaalsContact CD1-CD2 3.49Å; L986-L1002 HydrophobicContact CB-CD1 4.32Å; L986-L1002 HydrophobicContact CD2-CD1 4.16Å; L986-L1002 HydrophobicContact CD2-CD2 4.29Å; L986-L1002 HydrophobicContact CG-CD1 4.01Å; F987-L1002 HydrophobicContact CB-CD1 4.27Å; F987-L1002 HydrophobicContact CD2-CB 3.98Å; F987-L1002 HydrophobicContact CD2-CD1 4.18Å; L998-L1002 HydrophobicContact CD2-CD1 3.44Å; L998-L1002 VanDerWaalsContact CD2-CD1 3.44Å; L998-L1002 HydrophobicContact CD2-CG 3.77Å; L998-L1002 VanDerWaalsContact O-CB 3.27Å; L998-L1002 WeakPolarHBondContact O-CB 3.34Å; L998-L1002 WeakPolarHBondContact O-CG 3.4Å; L998-L1002 PolarHBondContact O-N 3.15Å; L1002-R1004 VanDerWaalsContact C-N 3.28Å; L1002-R1004 PolarHBondContact O-N 2.85Å; L1002-F1005 WeakPolarHBondContact O-CB 3.36Å; L1002-F1005 PolarHBondContact O-N 2.85Å; L1002-L1006 WeakPolarHBondContact O-CB 3.27Å; L1002-L1006 WeakPolarHBondContact O-CG 3.44Å; L1002-L1006 PolarHBondContact O-N 3.32Å |
| 1003 | L | 74.2 | Confident | 69.7 | Low | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 178.1 | -110.1 | 165.2 | 0 | 0 | 0 | 111.4 | F987 I999 R1000 C1007 L1119 L1123 I1146 I1149 | F987-L1003 HydrophobicContact CE2-CD1 4.23Å; F987-L1003 HydrophobicContact CE2-CG 3.85Å; F987-L1003 HydrophobicContact CZ-CD1 4.2Å; F987-L1003 HydrophobicContact CZ-CG 4.08Å; I999-L1003 WeakPolarHBondContact O-CB 3.45Å; I999-L1003 PolarHBondContact O-N 2.85Å; R1000-L1003 WeakPolarHBondContact O-CB 3.47Å; R1000-L1003 PolarHBondContact O-N 3.37Å; L1003-C1007 WeakPolarHBondContact O-CB 3.47Å; L1003-C1007 PolarHBondContact O-N 3.48Å; L1003-C1007 PolarHBondContact O-SG 3.42Å; L1003-L1119 HydrophobicContact CD2-CD1 4.17Å; L1003-L1119 HydrophobicContact CD2-CD2 4.49Å; L1003-L1123 HydrophobicContact CD1-CD1 4.12Å; L1003-I1146 HydrophobicContact CD1-CD1 4.47Å; L1003-I1146 HydrophobicContact CD1-CG2 3.69Å; L1003-I1149 HydrophobicContact CD1-CD1 3.66Å; L1003-I1149 HydrophobicContact CD2-CD1 3.85Å; L1003-I1149 HydrophobicContact CG-CD1 4.43Å |
| 1004 | R | 75.8 | Confident | 68.4 | Low | 46 Ų | 46 | 52.8 Ų | 52.8 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 172.7 | -63.9 | -175.7 | -171.6 | 127.9 | 9.2 | 112.1 | R1000 D1001 L1002 C1007 A1008 L1034 E1148 | R1000-R1004 VanDerWaalsContact CD-NH2 3.31Å; R1000-R1004 PolarHBondContact O-N 3.17Å; D1001-R1004 PolarHBondContact O-N 3.01Å; D1001-R1004 IonicContact OD1-CZ 2.61Å; D1001-R1004 IonicContact OD1-NH1 2.66Å; D1001-R1004 PolarHBondContact OD1-NH1 3.27Å; L1002-R1004 VanDerWaalsContact C-N 3.28Å; L1002-R1004 PolarHBondContact O-N 2.85Å; R1004-C1007 PolarHBondContact O-N 3.02Å; R1004-A1008 WeakPolarHBondContact O-CB 3.48Å; R1004-A1008 PolarHBondContact O-N 3.47Å; R1004-L1034 HydrophobicContact CG-CD1 4.21Å; R1004-E1148 IonicContact CZ-OE1 3.12Å; R1004-E1148 IonicContact NE-OE1 3.36Å; R1004-E1148 IonicContact NH2-OE1 3.12Å; R1004-E1148 PolarHBondContact NH2-OE1 2.87Å |
| 1005 | F | 75.6 | Confident | 66.8 | Low | 38 Ų | 38 | 57.8 Ų | 57.8 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 177.8 | -174.2 | -104.9 | 0 | 0 | 0 | 112.1 | L967 I968 A983 D1001 L1002 A1008 I1009 | L967-F1005 HydrophobicContact CB-CE1 3.65Å; L967-F1005 HydrophobicContact CB-CZ 3.73Å; L967-F1005 HydrophobicContact CD1-CD1 4.23Å; L967-F1005 HydrophobicContact CD1-CE1 4Å; L967-F1005 HydrophobicContact CG-CE1 4.33Å; I968-F1005 HydrophobicContact CG1-CE2 4.12Å; A983-F1005 HydrophobicContact CB-CD1 4.36Å; A983-F1005 HydrophobicContact CB-CE1 4.31Å; D1001-F1005 PolarHBondContact O-N 3.42Å; D1001-F1005 VanDerWaalsContact O-N 3.12Å; L1002-F1005 WeakPolarHBondContact O-CB 3.36Å; L1002-F1005 PolarHBondContact O-N 2.85Å; F1005-A1008 PolarHBondContact O-N 3.26Å; F1005-I1009 HydrophobicContact CD1-CD1 3.77Å; F1005-I1009 HydrophobicContact CD2-CD1 4.21Å; F1005-I1009 HydrophobicContact CE1-CD1 3.32Å; F1005-I1009 HydrophobicContact CE2-CD1 3.82Å; F1005-I1009 HydrophobicContact CG-CD1 4.19Å; F1005-I1009 HydrophobicContact CZ-CD1 3.37Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.46Å; F1005-I1009 PolarHBondContact O-N 2.94Å; F1005-I1009 VanDerWaalsContact O-N 3.16Å |
| 1006 | L | 72.6 | Confident | 65.1 | Low | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 175.9 | -77 | 166.4 | 0 | 0 | 0 | 112.4 | A983 L984 F987 L1002 A1008 I1009 D1010 L1119 | A983-L1006 HydrophobicContact CB-CD2 3.63Å; A983-L1006 HydrophobicContact CB-CG 4.26Å; L984-L1006 HydrophobicContact CD2-CD1 4.12Å; L984-L1006 HydrophobicContact CD2-CD2 4.26Å; L984-L1006 HydrophobicContact CG-CD2 4.42Å; F987-L1006 HydrophobicContact CB-CD1 4.39Å; F987-L1006 HydrophobicContact CD2-CD1 4.18Å; F987-L1006 HydrophobicContact CG-CD1 4.29Å; L1002-L1006 WeakPolarHBondContact O-CB 3.27Å; L1002-L1006 WeakPolarHBondContact O-CG 3.44Å; L1002-L1006 PolarHBondContact O-N 3.32Å; L1006-A1008 VanDerWaalsContact C-N 3.34Å; L1006-I1009 PolarHBondContact O-N 3.17Å; L1006-D1010 PolarHBondContact O-N 3.19Å; L1006-L1119 HydrophobicContact CB-CD1 4.43Å; L1006-L1119 HydrophobicContact CD1-CD1 4.39Å |
| 1007 | C | 69.9 | Low | 63.1 | Low | 41 Ų | 41 | 63.9 Ų | 63.9 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | L1003 R1004 I1009 D1010 | L1003-C1007 WeakPolarHBondContact O-CB 3.47Å; L1003-C1007 PolarHBondContact O-N 3.48Å; L1003-C1007 PolarHBondContact O-SG 3.42Å; R1004-C1007 PolarHBondContact O-N 3.02Å; C1007-I1009 VanDerWaalsContact C-N 3.26Å; C1007-I1009 PolarHBondContact O-N 3.17Å; C1007-D1010 WeakPolarHBondContact O-CB 3.32Å; C1007-D1010 PolarHBondContact O-N 3.05Å |
| 1008 | A | 70.3 | Confident | 60.9 | Low | 82 Ų | 82 | 66.5 Ų | 66.5 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.2 | -11 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1004 F1005 L1006 | R1004-A1008 WeakPolarHBondContact O-CB 3.48Å; R1004-A1008 PolarHBondContact O-N 3.47Å; F1005-A1008 PolarHBondContact O-N 3.26Å; L1006-A1008 VanDerWaalsContact C-N 3.34Å |
| 1009 | I | 67.7 | Low | 58.5 | Low | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -101.3 | -7.7 | 177.8 | -73.5 | 173 | 0 | 0 | 0 | 112 | W980 F1005 L1006 C1007 P1011 | W980-I1009 HydrophobicContact CB-CG2 4.47Å; F1005-I1009 HydrophobicContact CD1-CD1 3.77Å; F1005-I1009 HydrophobicContact CD2-CD1 4.21Å; F1005-I1009 HydrophobicContact CE1-CD1 3.32Å; F1005-I1009 HydrophobicContact CE2-CD1 3.82Å; F1005-I1009 HydrophobicContact CG-CD1 4.19Å; F1005-I1009 HydrophobicContact CZ-CD1 3.37Å; F1005-I1009 WeakPolarHBondContact O-CG1 3.46Å; F1005-I1009 PolarHBondContact O-N 2.94Å; F1005-I1009 VanDerWaalsContact O-N 3.16Å; L1006-I1009 PolarHBondContact O-N 3.17Å; C1007-I1009 VanDerWaalsContact C-N 3.26Å; C1007-I1009 PolarHBondContact O-N 3.17Å; I1009-P1011 VanDerWaalsContact O-CD 3.27Å; I1009-P1011 WeakPolarHBondContact O-CD 3.17Å; I1009-P1011 VanDerWaalsContact O-N 3.07Å |
| 1010 | D | 62.2 | Low | 56.2 | Low | 15 Ų | 15 | 80.4 Ų | 80.4 | 8% | 0.08 | 43% | 0.431 | C | S | . | . | trans | -56.5 | 111.5 | -178.5 | -173.7 | -15.4 | 0 | 0 | 0 | 111.3 | L1006 C1007 T1012 E1013 L1115 | L1006-D1010 PolarHBondContact O-N 3.19Å; C1007-D1010 WeakPolarHBondContact O-CB 3.32Å; C1007-D1010 PolarHBondContact O-N 3.05Å; D1010-T1012 PolarHBondContact O-N 3.27Å; D1010-T1012 WeakPolarHBondContact OD1-CB 3.5Å; D1010-T1012 WeakPolarHBondContact OD1-CG2 3.4Å; D1010-T1012 PolarHBondContact OD1-N 3.46Å; D1010-T1012 PolarHBondContact OD1-OG1 2.87Å; D1010-T1012 PolarHBondContact OD2-OG1 2.82Å; D1010-T1012 VanDerWaalsContact OD2-OG1 3.14Å; D1010-E1013 PolarHBondContact O-N 3.05Å; D1010-L1115 WeakPolarHBondContact OD2-CB 3.22Å; D1010-L1115 PolarHBondContact OD2-N 2.83Å | ||
| 1011 | P | 55.4 | Low | 53.9 | Low | 62 Ų | 62 | 82.6 Ų | 82.6 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.1 | -7.8 | -176.8 | 29.4 | -35.7 | 0 | 0 | 0 | 112.8 | I1009 N1015 | I1009-P1011 VanDerWaalsContact O-CD 3.27Å; I1009-P1011 WeakPolarHBondContact O-CD 3.17Å; I1009-P1011 VanDerWaalsContact O-N 3.07Å; P1011-N1015 PolarHBondContact O-ND2 2.84Å |
| 1012 | T | 52.1 | Low | 51.5 | Low | 75 Ų | 75 | 90 Ų | 90 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.7 | -27.1 | 176.6 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | D1010 | D1010-T1012 PolarHBondContact O-N 3.27Å; D1010-T1012 WeakPolarHBondContact OD1-CB 3.5Å; D1010-T1012 WeakPolarHBondContact OD1-CG2 3.4Å; D1010-T1012 PolarHBondContact OD1-N 3.46Å; D1010-T1012 PolarHBondContact OD1-OG1 2.87Å; D1010-T1012 PolarHBondContact OD2-OG1 2.82Å; D1010-T1012 VanDerWaalsContact OD2-OG1 3.14Å |
| 1013 | E | 46.6 | Very low | 48.9 | Very low | 136 Ų | 136 | 99.7 Ų | 99.7 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -43.9 | 176 | -66.9 | -154.3 | 151.8 | 0 | 0 | 111.5 | D1010 N1015 S1016 | D1010-E1013 PolarHBondContact O-N 3.05Å; E1013-N1015 VanDerWaalsContact C-N 3.27Å; E1013-N1015 PolarHBondContact O-N 3.3Å; E1013-S1016 WeakPolarHBondContact O-CB 3.4Å; E1013-S1016 PolarHBondContact O-N 3.33Å; E1013-S1016 VanDerWaalsContact O-N 3.13Å; E1013-S1016 PolarHBondContact O-OG 2.83Å |
| 1014 | Y | 44.1 | Very low | 46.5 | Very low | 209 Ų | 209 | 107.8 Ų | 107.8 | 82% | 0.82 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -28.3 | -178.2 | -122.2 | -84.7 | 0 | 0 | 0 | 113.8 | S1016 | Y1014-S1016 VanDerWaalsContact C-N 3.33Å |
| 1015 | N | 36.4 | Very low | 44.1 | Very low | 137 Ų | 137 | 113.1 Ų | 113.1 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 1.4 | 178.4 | -72.8 | -62.7 | 0 | 0 | 0 | 113.7 | P1011 E1013 S1017 | P1011-N1015 PolarHBondContact O-ND2 2.84Å; E1013-N1015 VanDerWaalsContact C-N 3.27Å; E1013-N1015 PolarHBondContact O-N 3.3Å; N1015-S1017 VanDerWaalsContact C-N 3.33Å; N1015-S1017 PolarHBondContact O-N 2.78Å |
| 1016 | S | 37.4 | Very low | 41.6 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -7.5 | -178.7 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | E1013 Y1014 D1018 | E1013-S1016 WeakPolarHBondContact O-CB 3.4Å; E1013-S1016 PolarHBondContact O-N 3.33Å; E1013-S1016 VanDerWaalsContact O-N 3.13Å; E1013-S1016 PolarHBondContact O-OG 2.83Å; Y1014-S1016 VanDerWaalsContact C-N 3.33Å; S1016-D1018 PolarHBondContact O-N 2.8Å |
| 1017 | S | 30.5 | Very low | 39.2 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -91.3 | 67.1 | -173.9 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | N1015 | N1015-S1017 VanDerWaalsContact C-N 3.33Å; N1015-S1017 PolarHBondContact O-N 2.78Å | ||
| 1018 | D | 28.6 | Very low | 37.1 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | trans | -135.8 | 156.8 | 169.9 | -158.8 | -0.1 | 0 | 0 | 0 | 112.3 | S1016 | S1016-D1018 PolarHBondContact O-N 2.8Š| ||
| 1019 | G | 26.7 | Very low | 34.8 | Very low | 56 Ų | 56 | 135.3 Ų | 135.3 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 84.5 | 42.2 | 159 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 1020 | R | 26.4 | Very low | 32.7 | Very low | 249 Ų | 249 | 143.1 Ų | 143.1 | 94% | 0.94 | 72% | 0.72 | S | S | * | * | trans | 44.3 | 79.5 | 150.5 | -58.8 | 175.5 | 175 | 170.9 | -1.6 | 118.5 | ||||
| 1021 | S | 25.3 | Very low | 30.9 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -175 | 82.7 | 144.4 | 41.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1022 | R | 24.5 | Very low | 29.3 | Very low | 227 Ų | 227 | 152 Ų | 152 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -166.4 | 78.4 | 154.5 | -107 | 151.8 | -168.6 | -170.8 | 3.1 | 112.3 | ||||
| 1023 | K | 24.2 | Very low | 27.9 | Very low | 210 Ų | 210 | 157.2 Ų | 157.2 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -128.5 | 67.9 | 164.8 | -92.7 | -165.8 | 174 | -176.1 | 0 | 110.6 | ||||
| 1024 | K | 25.2 | Very low | 26.8 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -164.4 | 159.1 | 157.7 | -102.7 | 160.2 | -174.3 | -177.6 | 0 | 106.7 | F1026 | K1024-F1026 VanDerWaalsContact C-N 3.34Å; K1024-F1026 PolarHBondContact O-N 2.93Å |
| 1025 | D | 23.5 | Very low | 25.8 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 63.9 | 26.2 | 178.8 | -47.6 | -24.3 | 0 | 0 | 0 | 116.8 | N1027 | D1025-N1027 VanDerWaalsContact C-N 3.31Å; D1025-N1027 PolarHBondContact O-N 2.83Å | ||
| 1026 | F | 23.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 74% | 0.737 | 75% | 0.751 | S | S | * | * | trans | -76.3 | 80.9 | 159.6 | -103.6 | -86.5 | 0 | 0 | 0 | 110.3 | K1024 | K1024-F1026 VanDerWaalsContact C-N 3.34Å; K1024-F1026 PolarHBondContact O-N 2.93Å | ||
| 1027 | N | 24 | Very low | 24.4 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -164.8 | 36.6 | 161.4 | -111.6 | -13.3 | 0 | 0 | 0 | 114.7 | D1025 | D1025-N1027 VanDerWaalsContact C-N 3.31Å; D1025-N1027 PolarHBondContact O-N 2.83Å |
| 1028 | K | 24.1 | Very low | 24 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 91% | 0.913 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -158.9 | 36.5 | 170.6 | -120.6 | 164.2 | -169.1 | 177.4 | 0 | 117.1 | ||
| 1029 | S | 22.4 | Very low | 23.8 | Very low | 95 Ų | 95 | 152.4 Ų | 152.4 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | trans | -155.9 | 79.5 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | N1031 | S1029-N1031 PolarHBondContact O-N 3.07Š| ||
| 1030 | H | 24.8 | Very low | 23.6 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 110.5 | 172.7 | -101.4 | -63.8 | 0 | 0 | 0 | 111.6 | ||||
| 1031 | N | 23.8 | Very low | 23.5 | Very low | 95 Ų | 95 | 153.4 Ų | 153.4 | 51% | 0.508 | 76% | 0.758 | S | S | . | * | trans | 24 | 122.2 | 157 | -57.5 | 12.4 | 0 | 0 | 0 | 118.7 | S1029 Y1033 | S1029-N1031 PolarHBondContact O-N 3.07Å; N1031-Y1033 HydrophobicContact CB-CD2 3.86Å; N1031-Y1033 HydrophobicContact CB-CE2 4.05Å; N1031-Y1033 WeakPolarHBondContact ND2-CE2 3.35Å; N1031-Y1033 PolarHBondContact O-N 2.94Å; N1031-Y1033 VanDerWaalsContact O-N 3.07Å | ||
| 1032 | M | 21.8 | Very low | 23.5 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 84% | 0.837 | 76% | 0.757 | S | S | * | * | trans | -61.9 | 100.9 | 143.3 | -77.9 | 166.2 | 53.1 | 0 | 0 | 109 | ||||
| 1033 | Y | 22.9 | Very low | 23.3 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -95.4 | 119.5 | 150.3 | -86.4 | -76.5 | 0 | 0 | 0 | 107.8 | N1031 N1035 | N1031-Y1033 HydrophobicContact CB-CD2 3.86Å; N1031-Y1033 HydrophobicContact CB-CE2 4.05Å; N1031-Y1033 WeakPolarHBondContact ND2-CE2 3.35Å; N1031-Y1033 PolarHBondContact O-N 2.94Å; N1031-Y1033 VanDerWaalsContact O-N 3.07Å; Y1033-N1035 PolarHBondContact O-N 3.13Å | ||
| 1034 | L | 23.2 | Very low | 23.4 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 54% | 0.539 | 75% | 0.75 | S | S | . | * | trans | -74.2 | 70.1 | 172.6 | -80 | 165.6 | 0 | 0 | 0 | 110.2 | R1004 | R1004-L1034 HydrophobicContact CG-CD1 4.21Š| ||
| 1035 | N | 22 | Very low | 23.3 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | trans | -82.8 | 136 | 170.2 | -105 | -20.1 | 0 | 0 | 0 | 110.2 | Y1033 C1037 | Y1033-N1035 PolarHBondContact O-N 3.13Å; N1035-C1037 PolarHBondContact O-N 3.08Å | ||
| 1036 | P | 22.1 | Very low | 23.3 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -64.9 | 131.2 | 169.3 | 28.4 | -32.9 | 0 | 0 | 0 | 109.9 | ||
| 1037 | C | 22.3 | Very low | 23.3 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 51.2 | 62.4 | 163.3 | -59.6 | 0 | 0 | 0 | 0 | 116.8 | N1035 | N1035-C1037 PolarHBondContact O-N 3.08Š|
| 1038 | N | 22.8 | Very low | 23.4 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -129.8 | 66 | 169.1 | -129.2 | -24.7 | 0 | 0 | 0 | 113.3 | L1040 | N1038-L1040 PolarHBondContact O-N 2.96Š| ||
| 1039 | H | 25.2 | Very low | 23.3 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -81.2 | 62.2 | 169.2 | -95.1 | -74.3 | 0 | 0 | 0 | 111.6 | ||||
| 1040 | L | 22.3 | Very low | 23.4 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | -125.6 | 80.1 | 163.9 | -107.7 | 163.4 | 0 | 0 | 0 | 107.6 | N1038 | N1038-L1040 PolarHBondContact O-N 2.96Š| ||
| 1041 | K | 24.6 | Very low | 23.3 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -124 | 112 | 174 | -86.6 | -172.6 | 174.1 | 179.4 | 0 | 110.6 | ||||
| 1042 | N | 23.6 | Very low | 23.2 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | 52.2 | 96.4 | 139.5 | -50.7 | 1.1 | 0 | 0 | 0 | 116.5 | ||||
| 1043 | L | 22.1 | Very low | 23.4 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 143.3 | 137.2 | -85.9 | 74.2 | 0 | 0 | 0 | 108.1 | ||
| 1044 | P | 26 | Very low | 23.4 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.7 | 165.8 | 30.6 | -34 | 0 | 0 | 0 | 109.8 | L1046 | P1044-L1046 PolarHBondContact O-N 3.04Š|
| 1045 | S | 22.1 | Very low | 23.4 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 121.3 | 172.6 | 51 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1046 | L | 24.4 | Very low | 23.5 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -119.5 | 131.3 | 159.4 | -166.4 | 76 | 0 | 0 | 0 | 107.2 | P1044 N1048 | P1044-L1046 PolarHBondContact O-N 3.04Å; L1046-N1048 PolarHBondContact O-N 2.89Å | ||
| 1047 | D | 22.6 | Very low | 23.8 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 124.9 | -177.1 | -53.9 | -72.2 | 0 | 0 | 0 | 110.9 | ||||
| 1048 | N | 25.4 | Very low | 23.8 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | 171.6 | 146.7 | 116.2 | -90.5 | -68.5 | 0 | 0 | 0 | 113.1 | L1046 | L1046-N1048 PolarHBondContact O-N 2.89Š| |||
| 1049 | H | 23.3 | Very low | 23.7 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | trans | -20.2 | 156 | 174.5 | -63.7 | -90.3 | 0 | 0 | 0 | 122.4 | ||||
| 1050 | H | 23.9 | Very low | 23.7 | Very low | 180 Ų | 180 | 150 Ų | 150 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | 78.3 | 95.9 | 167.9 | -61 | -82.3 | 0 | 0 | 0 | 118.7 | ||||
| 1051 | M | 23.1 | Very low | 23.8 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 93% | 0.931 | 80% | 0.802 | S | S | * | * | -160.4 | 142.5 | 99.6 | -113.7 | -168.6 | 172.8 | 0 | 0 | 113.3 | |||||
| 1052 | Q | 22 | Very low | 23.7 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -98.4 | 131.1 | 149.5 | -78.5 | -177.4 | -21 | 0 | 0 | 107.6 | ||||
| 1053 | L | 26.1 | Very low | 23.7 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | -177.1 | 155.3 | 126.6 | -100.4 | 164 | 0 | 0 | 0 | 110.7 | |||||
| 1054 | K | 22.1 | Very low | 23.7 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -95.5 | 139.6 | -179.2 | -67.6 | 175.4 | 176.3 | 176.5 | 0 | 110.9 | ||||
| 1055 | A | 22.6 | Very low | 23.5 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -149.4 | 154.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1056 | S | 24.3 | Very low | 23.6 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -83.1 | -174.1 | 175.3 | 60.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1057 | P | 28.2 | Very low | 23.6 | Very low | 93 Ų | 93 | 153.2 Ų | 153.2 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | cis | -144.9 | -176.5 | 10.8 | 42.1 | -21.6 | 0 | 0 | 0 | 117.5 | K1059 | P1057-K1059 HydrophobicContact CG-CB 4.31Å; P1057-K1059 PolarHBondContact O-N 3.1Å | ||
| 1058 | E | 22.3 | Very low | 23.6 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -59.9 | 97.7 | 156.3 | -58.8 | 174.4 | 122.1 | 0 | 0 | 110.7 | ||||
| 1059 | K | 22.4 | Very low | 23.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -170.3 | 59.7 | 169.7 | -108.1 | 151.4 | -168.9 | 167.7 | 0 | 113.6 | P1057 | P1057-K1059 HydrophobicContact CG-CB 4.31Å; P1057-K1059 PolarHBondContact O-N 3.1Å | ||
| 1060 | S | 23.9 | Very low | 23.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | -166.4 | 35.4 | 167.2 | 58.7 | 0 | 0 | 0 | 0 | 117.6 | N1062 | S1060-N1062 PolarHBondContact O-N 2.81Š| ||
| 1061 | I | 25.2 | Very low | 23.7 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -77.1 | 60 | 164 | -49.5 | -177.8 | 0 | 0 | 0 | 109.3 | ||
| 1062 | N | 21.9 | Very low | 23.8 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -164.6 | 63.3 | 176.4 | -110.4 | -29.1 | 0 | 0 | 0 | 110.5 | S1060 | S1060-N1062 PolarHBondContact O-N 2.81Š| ||
| 1063 | K | 23.2 | Very low | 24.1 | Very low | 191 Ų | 191 | 132.7 Ų | 132.7 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -138.5 | 53.7 | 166.4 | -124.9 | 176.4 | -173.6 | 179.9 | 0 | 112 | V1065 | K1063-V1065 PolarHBondContact O-N 3.37Š| ||
| 1064 | I | 22.7 | Very low | 24 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | trans | -59.9 | 121.5 | 157.9 | -55.1 | 169.5 | 0 | 0 | 0 | 106.4 | W1066 | I1064-W1066 HydrophobicContact CG2-CG 4.21Å; I1064-W1066 PolarHBondContact O-N 3.28Å | ||
| 1065 | V | 22.8 | Very low | 24.4 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | -77.6 | 74.9 | 177 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | K1063 Y1067 | K1063-V1065 PolarHBondContact O-N 3.37Å; V1065-Y1067 PolarHBondContact O-N 2.81Å | ||
| 1066 | W | 23.8 | Very low | 24.7 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 120.9 | 164.8 | -72.8 | 97 | 0 | 0 | 0 | 108.9 | I1064 G1068 | I1064-W1066 HydrophobicContact CG2-CG 4.21Å; I1064-W1066 PolarHBondContact O-N 3.28Å; W1066-G1068 PolarHBondContact O-N 2.95Å |
| 1067 | Y | 23.9 | Very low | 25 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.7 | 155.6 | -86.9 | -115.5 | 0 | 0 | 0 | 107.4 | V1065 L1404 | V1065-Y1067 PolarHBondContact O-N 2.81Å; Y1067-L1404 HydrophobicContact CD1-CD1 3.89Å; Y1067-L1404 HydrophobicContact CE1-CD1 3.26Å |
| 1068 | G | 23.1 | Very low | 25.1 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 146.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W1066 | W1066-G1068 PolarHBondContact O-N 2.95Š|
| 1069 | G | 24.2 | Very low | 25.5 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | 3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1070 | M | 25.6 | Very low | 26.2 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 49% | 0.488 | 68% | 0.678 | S | S | . | * | trans | -124 | 5.5 | -173.2 | -70.4 | -90.6 | 79 | 0 | 0 | 116.1 | M1072 C1247 | M1070-M1072 VanDerWaalsContact C-N 3.27Å; M1070-M1072 PolarHBondContact O-N 3.42Å; M1070-C1247 HydrophobicContact CE-CB 3.77Å; M1070-C1247 HydrophobicContact SD-CB 3.58Å; M1070-C1247 VanDerWaalsContact SD-CB 3.58Å | ||
| 1071 | S | 25.3 | Very low | 26.7 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 54% | 0.538 | 69% | 0.685 | S | S | . | * | trans | -85.1 | 51.1 | -175.1 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1072 | M | 23.6 | Very low | 27.3 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | trans | -119.9 | 89.1 | 163.5 | -78.6 | -75 | -102.9 | 0 | 0 | 108 | M1070 E1244 | M1070-M1072 VanDerWaalsContact C-N 3.27Å; M1070-M1072 PolarHBondContact O-N 3.42Å; M1072-E1244 VanDerWaalsContact O-CD 3.27Å | ||
| 1073 | Y | 29 | Very low | 28 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 35% | 0.349 | 64% | 0.643 | S | S | . | * | trans | -145.7 | 90.6 | 171.3 | -90.1 | -68.2 | 0 | 0 | 0 | 110.3 | E1244 Q1248 | Y1073-E1244 HydrophobicContact CE1-CB 4.33Å; Y1073-E1244 HydrophobicContact CE1-CG 4.48Å; Y1073-E1244 HydrophobicContact CE2-CG 4.32Å; Y1073-E1244 VanDerWaalsContact OH-CB 3.29Å; Y1073-E1244 WeakPolarHBondContact OH-CB 3.47Å; Y1073-E1244 PolarHBondContact OH-O 2.83Å; Y1073-Q1248 HydrophobicContact CE2-CG 4.29Å; Y1073-Q1248 VanDerWaalsContact OH-CG 3.24Å; Y1073-Q1248 WeakPolarHBondContact OH-CG 3.3Å; Y1073-Q1248 PolarHBondContact OH-NE2 3.31Å; Y1073-Q1248 PolarHBondContact OH-OE1 3.37Å | ||
| 1074 | R | 24.7 | Very low | 28.6 | Very low | 233 Ų | 233 | 122.2 Ų | 122.2 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -74 | 129.7 | 155.1 | -76.2 | -177.7 | 170.6 | -178.4 | -3.5 | 107.4 | T1076 | R1074-T1076 PolarHBondContact O-N 2.93Å; R1074-T1076 VanDerWaalsContact O-N 3.16Å | ||
| 1075 | P | 30.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 119.1 Ų | 119.1 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | trans | -65.8 | 117.5 | 174.7 | 26.5 | -32.5 | 0 | 0 | 0 | 109.3 | R1077 | P1075-R1077 PolarHBondContact O-N 3.37Š| ||
| 1076 | T | 28.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | trans | -64.9 | 103.4 | 170.4 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | R1074 V1078 | R1074-T1076 PolarHBondContact O-N 2.93Å; R1074-T1076 VanDerWaalsContact O-N 3.16Å; T1076-V1078 VanDerWaalsContact C-N 3.34Å; T1076-V1078 PolarHBondContact O-N 3.1Å | ||
| 1077 | R | 29.3 | Very low | 30.6 | Very low | 244 Ų | 244 | 111.8 Ų | 111.8 | 92% | 0.921 | 60% | 0.599 | S | S | * | * | trans | -64.9 | 89.1 | 178.4 | -69.7 | -179.3 | 176 | 176.3 | -2.9 | 110.6 | P1075 | P1075-R1077 PolarHBondContact O-N 3.37Š| ||
| 1078 | V | 30.8 | Very low | 31.3 | Very low | 102 Ų | 102 | 108.6 Ų | 108.6 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | trans | -105.6 | 114.8 | 159.2 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | T1076 M1080 | T1076-V1078 VanDerWaalsContact C-N 3.34Å; T1076-V1078 PolarHBondContact O-N 3.1Å; V1078-M1080 PolarHBondContact O-N 3.01Å | ||
| 1079 | P | 32 | Very low | 32 | Very low | 120 Ų | 120 | 110.3 Ų | 110.3 | 78% | 0.779 | 58% | 0.582 | S | S | * | * | trans | -62.2 | 130.2 | 178.6 | 26.4 | -33.2 | 0 | 0 | 0 | 109.3 | ||||
| 1080 | M | 35.9 | Very low | 32.7 | Very low | 20 Ų | 20 | 109.9 Ų | 109.9 | 10% | 0.099 | 56% | 0.561 | C | S | . | * | trans | -85 | 113.7 | 167 | -67.8 | -164 | -48.7 | 0 | 0 | 109 | M994 V1078 L1082 Y1130 | M994-M1080 HydrophobicContact CE-CE 3.37Å; M994-M1080 HydrophobicContact CE-SD 3.79Å; V1078-M1080 PolarHBondContact O-N 3.01Å; M1080-L1082 PolarHBondContact O-N 3.41Å; M1080-Y1130 WeakPolarHBondContact CE-OH 3.28Å | ||
| 1081 | E | 35 | Very low | 33.3 | Very low | 186 Ų | 186 | 110.5 Ų | 110.5 | 87% | 0.869 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.8 | 132.8 | -68.8 | -177.3 | 152 | 0 | 0 | 106.4 | ||
| 1082 | L | 37 | Very low | 33.9 | Very low | 70 Ų | 70 | 111 Ų | 111 | 37% | 0.366 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -60 | 140.1 | 159.8 | -85.6 | 161.4 | 0 | 0 | 0 | 106.2 | Q992 M1080 D1084 F1085 | Q992-L1082 HydrophobicContact CG-CD1 4.19Å; Q992-L1082 HydrophobicContact CG-CG 4.41Å; M1080-L1082 PolarHBondContact O-N 3.41Å; L1082-D1084 PolarHBondContact O-N 2.84Å; L1082-F1085 HydrophobicContact CD2-CE2 4.34Å |
| 1083 | L | 36.9 | Very low | 34.6 | Very low | 85 Ų | 85 | 107.9 Ų | 107.9 | 45% | 0.445 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 140.9 | 159.7 | -73.4 | 124 | 0 | 0 | 0 | 108 | F1085 Y1135 | L1083-F1085 WeakPolarHBondContact O-CD2 3.37Å; L1083-F1085 PolarHBondContact O-N 3.06Å; L1083-Y1135 HydrophobicContact CD1-CE2 4.05Å |
| 1084 | D | 36.7 | Very low | 34.9 | Very low | 146 Ų | 146 | 106 Ų | 106 | 78% | 0.781 | 54% | 0.542 | S | S | * | . | trans | -62 | 81.9 | 176.8 | -104.9 | -41.8 | 0 | 0 | 0 | 110.4 | L1082 G1086 | L1082-D1084 PolarHBondContact O-N 2.84Å; D1084-G1086 PolarHBondContact O-N 3.43Å | ||
| 1085 | F | 36.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 99.4 Ų | 99.4 | 25% | 0.246 | 53% | 0.525 | C | S | . | . | trans | -62.5 | 80.5 | 150.2 | -71.6 | -80.3 | 0 | 0 | 0 | 105.2 | L1082 L1083 N1087 I1090 D1129 | L1082-F1085 HydrophobicContact CD2-CE2 4.34Å; L1083-F1085 WeakPolarHBondContact O-CD2 3.37Å; L1083-F1085 PolarHBondContact O-N 3.06Å; F1085-N1087 PolarHBondContact O-N 2.78Å; F1085-I1090 HydrophobicContact CB-CD1 3.95Å; F1085-D1129 HydrophobicContact CZ-CB 4.26Å | ||
| 1086 | G | 35.6 | Very low | 35.9 | Very low | 35 Ų | 35 | 100.5 Ų | 100.5 | 36% | 0.361 | 53% | 0.525 | S | S | . | . | trans | -40 | 123.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1084 D1088 Q1089 | D1084-G1086 PolarHBondContact O-N 3.43Å; G1086-D1088 PolarHBondContact O-N 3.22Å; G1086-Q1089 PolarHBondContact O-N 3.37Å | ||
| 1087 | N | 39 | Very low | 36.4 | Very low | 99 Ų | 99 | 97.6 Ų | 97.6 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.9 | -33.7 | -156.8 | -92.5 | -88.5 | 0 | 0 | 0 | 114.9 | F1085 Q1089 I1090 K1091 | F1085-N1087 PolarHBondContact O-N 2.78Å; N1087-Q1089 PolarHBondContact O-N 3.04Å; N1087-I1090 PolarHBondContact O-N 3.01Å; N1087-K1091 HydrophobicContact CB-CD 4.33Å; N1087-K1091 WeakPolarHBondContact O-CB 3.45Å; N1087-K1091 VanDerWaalsContact O-CG 3.3Å; N1087-K1091 WeakPolarHBondContact O-CG 3.45Å; N1087-K1091 PolarHBondContact O-N 2.91Å |
| 1088 | D | 38.5 | Very low | 36.5 | Very low | 110 Ų | 110 | 93.6 Ų | 93.6 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -49.4 | -48.3 | 174.3 | -46.1 | -40.5 | 0 | 0 | 0 | 113.6 | G1086 I1090 K1091 D1092 | G1086-D1088 PolarHBondContact O-N 3.22Å; D1088-I1090 VanDerWaalsContact C-N 3.27Å; D1088-I1090 PolarHBondContact O-N 2.87Å; D1088-K1091 PolarHBondContact O-N 3.43Å; D1088-D1092 VanDerWaalsContact O-CB 3.32Å; D1088-D1092 WeakPolarHBondContact O-CB 3.36Å; D1088-D1092 VanDerWaalsContact O-CG 3.3Å; D1088-D1092 PolarHBondContact O-N 3.46Å |
| 1089 | Q | 37.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 95.1 Ų | 95.1 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -24.8 | -176.1 | -76.8 | -164.1 | 47 | 0 | 0 | 114.3 | G1086 N1087 | G1086-Q1089 PolarHBondContact O-N 3.37Å; N1087-Q1089 PolarHBondContact O-N 3.04Å |
| 1090 | I | 38.5 | Very low | 36.5 | Very low | 67 Ų | 67 | 94.5 Ų | 94.5 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -94.9 | -31.2 | 176.6 | -63.3 | 179.1 | 0 | 0 | 0 | 110.8 | F1085 N1087 D1088 L1093 C1094 | F1085-I1090 HydrophobicContact CB-CD1 3.95Å; N1087-I1090 PolarHBondContact O-N 3.01Å; D1088-I1090 VanDerWaalsContact C-N 3.27Å; D1088-I1090 PolarHBondContact O-N 2.87Å; I1090-L1093 PolarHBondContact O-N 2.94Å; I1090-C1094 PolarHBondContact O-N 2.76Å; I1090-C1094 VanDerWaalsContact O-N 3.12Å |
| 1091 | K | 38.2 | Very low | 36 | Very low | 113 Ų | 113 | 98.8 Ų | 98.8 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 168.5 | -77.4 | 175.4 | -179.5 | 176 | 0 | 111.8 | N1087 D1088 L1093 C1094 N1095 | N1087-K1091 HydrophobicContact CB-CD 4.33Å; N1087-K1091 WeakPolarHBondContact O-CB 3.45Å; N1087-K1091 VanDerWaalsContact O-CG 3.3Å; N1087-K1091 WeakPolarHBondContact O-CG 3.45Å; N1087-K1091 PolarHBondContact O-N 2.91Å; D1088-K1091 PolarHBondContact O-N 3.43Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 3.26Å; K1091-C1094 PolarHBondContact O-N 3.45Å; K1091-N1095 WeakPolarHBondContact O-CB 3.38Å; K1091-N1095 VanDerWaalsContact O-CG 3.23Å; K1091-N1095 PolarHBondContact O-N 3.23Å; K1091-N1095 PolarHBondContact O-ND2 2.62Å |
| 1092 | D | 39.5 | Very low | 35.6 | Very low | 87 Ų | 87 | 96.9 Ų | 96.9 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.3 | -77.2 | -15.6 | 0 | 0 | 0 | 111.5 | D1088 N1095 N1096 | D1088-D1092 VanDerWaalsContact O-CB 3.32Å; D1088-D1092 WeakPolarHBondContact O-CB 3.36Å; D1088-D1092 VanDerWaalsContact O-CG 3.3Å; D1088-D1092 PolarHBondContact O-N 3.46Å; D1092-N1095 PolarHBondContact O-N 3.07Å; D1092-N1096 WeakPolarHBondContact O-CB 3.19Å; D1092-N1096 VanDerWaalsContact O-CG 3.28Å; D1092-N1096 PolarHBondContact O-N 2.97Å; D1092-N1096 PolarHBondContact O-ND2 3.22Å |
| 1093 | L | 37.4 | Very low | 35.1 | Very low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 174 | -135.4 | 79.3 | 0 | 0 | 0 | 111.6 | I1090 K1091 N1096 I1097 L1122 | I1090-L1093 PolarHBondContact O-N 2.94Å; K1091-L1093 VanDerWaalsContact C-N 3.3Å; K1091-L1093 PolarHBondContact O-N 3.26Å; L1093-N1096 PolarHBondContact O-N 3.36Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.5Å; L1093-I1097 PolarHBondContact O-N 3.43Å; L1093-I1097 VanDerWaalsContact O-N 3.16Å; L1093-L1122 HydrophobicContact CD2-CD1 3.79Å; L1093-L1122 HydrophobicContact CD2-CG 4.13Å |
| 1094 | C | 34.4 | Very low | 34.7 | Very low | 49 Ų | 49 | 102.2 Ų | 102.2 | 33% | 0.331 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -42.7 | 172.9 | -78 | 0 | 0 | 0 | 0 | 112.9 | R988 I1090 K1091 N1096 I1097 | R988-C1094 PolarHBondContact NH2-SG 2.97Å; I1090-C1094 PolarHBondContact O-N 2.76Å; I1090-C1094 VanDerWaalsContact O-N 3.12Å; K1091-C1094 PolarHBondContact O-N 3.45Å; C1094-N1096 PolarHBondContact O-N 2.55Å; C1094-I1097 PolarHBondContact O-N 3.1Å; C1094-I1097 VanDerWaalsContact O-N 3.16Å |
| 1095 | N | 39.3 | Very low | 34.3 | Very low | 95 Ų | 95 | 98.9 Ų | 98.9 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.9 | -25.8 | 179 | -73.8 | -31.1 | 0 | 0 | 0 | 112.9 | K1091 D1092 K1098 | K1091-N1095 WeakPolarHBondContact O-CB 3.38Å; K1091-N1095 VanDerWaalsContact O-CG 3.23Å; K1091-N1095 PolarHBondContact O-N 3.23Å; K1091-N1095 PolarHBondContact O-ND2 2.62Å; D1092-N1095 PolarHBondContact O-N 3.07Å; N1095-K1098 WeakPolarHBondContact O-CG 3.42Å |
| 1096 | N | 37.8 | Very low | 33.8 | Very low | 127 Ų | 127 | 102.7 Ų | 102.7 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -83.7 | -20.3 | 174 | -76 | -51.1 | 0 | 0 | 0 | 113.2 | D1092 L1093 C1094 K1098 | D1092-N1096 WeakPolarHBondContact O-CB 3.19Å; D1092-N1096 VanDerWaalsContact O-CG 3.28Å; D1092-N1096 PolarHBondContact O-N 2.97Å; D1092-N1096 PolarHBondContact O-ND2 3.22Å; L1093-N1096 PolarHBondContact O-N 3.36Å; C1094-N1096 PolarHBondContact O-N 2.55Å; N1096-K1098 PolarHBondContact O-N 2.83Å |
| 1097 | I | 38.5 | Very low | 33.4 | Very low | 49 Ų | 49 | 110 Ų | 110 | 25% | 0.251 | 62% | 0.62 | S | S | . | * | trans | -84 | 56.5 | 165.8 | -49.8 | 166.6 | 0 | 0 | 0 | 109.1 | W980 L1093 C1094 L1115 | W980-I1097 HydrophobicContact CH2-CB 4.12Å; W980-I1097 HydrophobicContact CH2-CD1 4.13Å; W980-I1097 HydrophobicContact CH2-CG2 3.56Å; W980-I1097 HydrophobicContact CZ2-CD1 4.45Å; W980-I1097 HydrophobicContact CZ2-CG2 3.97Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.5Å; L1093-I1097 PolarHBondContact O-N 3.43Å; L1093-I1097 VanDerWaalsContact O-N 3.16Å; C1094-I1097 PolarHBondContact O-N 3.1Å; C1094-I1097 VanDerWaalsContact O-N 3.16Å; I1097-L1115 HydrophobicContact CD1-CD2 4.37Å; I1097-L1115 HydrophobicContact CG2-CD2 4.48Å | ||
| 1098 | K | 31.9 | Very low | 32.9 | Very low | 159 Ų | 159 | 113.3 Ų | 113.3 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | -83.3 | 127.6 | 161.6 | -83.9 | 175.4 | -179.4 | 179.4 | 0 | 108.5 | N1095 N1096 S1100 | N1095-K1098 WeakPolarHBondContact O-CG 3.42Å; N1096-K1098 PolarHBondContact O-N 2.83Å; K1098-S1100 PolarHBondContact O-N 2.85Å | ||
| 1099 | I | 35.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | trans | -61.3 | 101.4 | 164.9 | -59.3 | 171.4 | 0 | 0 | 0 | 106.4 | S1101 | I1099-S1101 VanDerWaalsContact C-N 3.3Å; I1099-S1101 PolarHBondContact O-N 3.12Å | ||
| 1100 | S | 26.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | -79 | 77.1 | -170 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | K1098 D1102 | K1098-S1100 PolarHBondContact O-N 2.85Å; S1100-D1102 PolarHBondContact O-N 3.05Å | ||
| 1101 | S | 27.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -75.3 | 59.6 | 171.6 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | I1099 | I1099-S1101 VanDerWaalsContact C-N 3.3Å; I1099-S1101 PolarHBondContact O-N 3.12Å | ||
| 1102 | D | 26 | Very low | 31.3 | Very low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -139.6 | 108.6 | 176.4 | -103.5 | -46.7 | 0 | 0 | 0 | 111.4 | S1100 S1104 | S1100-D1102 PolarHBondContact O-N 3.05Å; D1102-S1104 PolarHBondContact O-N 3.36Å | ||
| 1103 | T | 27 | Very low | 31.6 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 91% | 0.908 | 69% | 0.694 | S | S | * | * | trans | -98.5 | 80.3 | -175.2 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1104 | S | 27.6 | Very low | 32.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | -157.3 | 150.3 | 160.5 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | D1102 | D1102-S1104 PolarHBondContact O-N 3.36Š| ||
| 1105 | G | 28.4 | Very low | 33.5 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | 115.3 | 87.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1107 | G1105-H1107 PolarHBondContact O-N 2.93Š| ||
| 1106 | T | 27 | Very low | 34.5 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 83% | 0.834 | 68% | 0.679 | S | S | * | * | trans | -77.9 | 98.6 | 176.6 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1107 | H | 27.1 | Very low | 35.9 | Very low | 187 Ų | 187 | 116.7 Ų | 116.7 | 87% | 0.866 | 66% | 0.66 | S | S | * | * | trans | -153.8 | 116.5 | 149.5 | -102.9 | -69.9 | 0 | 0 | 0 | 111.1 | G1105 Q1109 | G1105-H1107 PolarHBondContact O-N 2.93Å; H1107-Q1109 PolarHBondContact O-N 2.89Å | ||
| 1108 | I | 28.1 | Very low | 37.2 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 87% | 0.872 | 66% | 0.663 | S | S | * | * | trans | -81.7 | 89.1 | -173.5 | -55.7 | 173.2 | 0 | 0 | 0 | 110.3 | ||||
| 1109 | Q | 25.6 | Very low | 38.9 | Very low | 180 Ų | 180 | 110.8 Ų | 110.8 | 84% | 0.841 | 64% | 0.635 | S | S | * | * | trans | -98.9 | 143 | 148.6 | -67 | -171.4 | -3.1 | 0 | 0 | 108.2 | H1107 P1111 | H1107-Q1109 PolarHBondContact O-N 2.89Å; Q1109-P1111 VanDerWaalsContact O-CD 3.25Å; Q1109-P1111 WeakPolarHBondContact O-CD 3.3Å | ||
| 1110 | K | 27.3 | Very low | 40.6 | Very low | 187 Ų | 187 | 106.5 Ų | 106.5 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | trans | -67.2 | 118.6 | -171 | -68.1 | 178.7 | 178.1 | 178.4 | 0 | 111.6 | S1112 | K1110-S1112 VanDerWaalsContact C-N 3.3Å; K1110-S1112 PolarHBondContact O-N 2.77Å | ||
| 1111 | P | 31.5 | Very low | 42.7 | Very low | 122 Ų | 122 | 108.2 Ų | 108.2 | 79% | 0.792 | 61% | 0.608 | S | S | * | * | trans | -81.7 | 77.7 | 169.1 | 34.2 | -32.1 | 0 | 0 | 0 | 109.5 | Q1109 S1113 | Q1109-P1111 VanDerWaalsContact O-CD 3.25Å; Q1109-P1111 WeakPolarHBondContact O-CD 3.3Å; P1111-S1113 PolarHBondContact O-N 3.34Å | ||
| 1112 | S | 34.3 | Very low | 44.9 | Very low | 93 Ų | 93 | 106.7 Ų | 106.7 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | trans | -98.7 | 53.2 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 112 | K1110 N1117 | K1110-S1112 VanDerWaalsContact C-N 3.3Å; K1110-S1112 PolarHBondContact O-N 2.77Å; S1112-N1117 PolarHBondContact O-ND2 2.85Å | ||
| 1113 | S | 45.5 | Very low | 47.2 | Very low | 73 Ų | 73 | 99.8 Ų | 99.8 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | trans | -112.1 | 67.4 | 171.1 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | P1111 | P1111-S1113 PolarHBondContact O-N 3.34Š| ||
| 1114 | T | 55.9 | Low | 49.5 | Very low | 63 Ų | 63 | 96 Ų | 96 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | trans | -50.5 | 140.4 | 160.7 | 18.7 | 0 | 0 | 0 | 0 | 109.2 | R1116 N1117 | T1114-R1116 PolarHBondContact O-N 2.63Å; T1114-N1117 WeakPolarHBondContact O-CB 3.17Å; T1114-N1117 PolarHBondContact O-N 2.88Å; T1114-N1117 PolarHBondContact OG1-ND2 2.9Å; T1114-N1117 PolarHBondContact OG1-OD1 2.85Å | ||
| 1115 | L | 54.8 | Low | 51.8 | Low | 25 Ų | 25 | 96.7 Ų | 96.7 | 13% | 0.131 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62.2 | -31.2 | -173.3 | -169.6 | 157.5 | 0 | 0 | 0 | 111.4 | W980 D1010 I1097 N1117 Q1118 L1119 | W980-L1115 HydrophobicContact CZ2-CD1 4Å; W980-L1115 HydrophobicContact CZ2-CD2 4.31Å; D1010-L1115 WeakPolarHBondContact OD2-CB 3.22Å; D1010-L1115 PolarHBondContact OD2-N 2.83Å; I1097-L1115 HydrophobicContact CD1-CD2 4.37Å; I1097-L1115 HydrophobicContact CG2-CD2 4.48Å; L1115-N1117 VanDerWaalsContact C-N 3.32Å; L1115-N1117 PolarHBondContact O-N 3.25Å; L1115-Q1118 HydrophobicContact CD2-CB 4.4Å; L1115-Q1118 VanDerWaalsContact CD2-OE1 3.22Å; L1115-Q1118 WeakPolarHBondContact O-CB 3.46Å; L1115-Q1118 PolarHBondContact O-N 2.96Å; L1115-Q1118 VanDerWaalsContact O-N 3.09Å; L1115-L1119 PolarHBondContact O-N 3.1Å |
| 1116 | R | 62.2 | Low | 54 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 42% | 0.415 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -44.7 | -50.7 | 163.6 | -179.3 | 174.9 | 174.4 | 134.9 | 14.8 | 113.2 | T1114 Q1118 L1119 E1120 E1148 | T1114-R1116 PolarHBondContact O-N 2.63Å; R1116-Q1118 VanDerWaalsContact C-N 3.26Å; R1116-Q1118 PolarHBondContact O-N 3.07Å; R1116-L1119 WeakPolarHBondContact O-CB 3Å; R1116-L1119 PolarHBondContact O-N 2.87Å; R1116-L1119 VanDerWaalsContact O-N 3.16Å; R1116-E1120 HydrophobicContact CG-CG 4.21Å; R1116-E1120 WeakPolarHBondContact CG-OE1 3.23Å; R1116-E1120 IonicContact CZ-OE1 3.8Å; R1116-E1120 IonicContact NE-OE1 3.22Å; R1116-E1120 PolarHBondContact NE-OE1 3.44Å; R1116-E1120 IonicContact NH2-OE1 3.56Å; R1116-E1120 PolarHBondContact NH2-OE1 2.84Å; R1116-E1120 WeakPolarHBondContact O-CB 3.47Å; R1116-E1120 VanDerWaalsContact O-CG 3.27Å; R1116-E1120 WeakPolarHBondContact O-CG 3.35Å; R1116-E1120 PolarHBondContact O-N 3.07Å; R1116-E1148 PolarHBondContact NH2-O 3.06Å |
| 1117 | N | 65.5 | Low | 56.3 | Low | 55 Ų | 55 | 88 Ų | 88 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -31.8 | -177.5 | -55.8 | 14.4 | 0 | 0 | 0 | 111.8 | S1112 T1114 L1115 Q1121 | S1112-N1117 PolarHBondContact O-ND2 2.85Å; T1114-N1117 WeakPolarHBondContact O-CB 3.17Å; T1114-N1117 PolarHBondContact O-N 2.88Å; T1114-N1117 PolarHBondContact OG1-ND2 2.9Å; T1114-N1117 PolarHBondContact OG1-OD1 2.85Å; L1115-N1117 VanDerWaalsContact C-N 3.32Å; L1115-N1117 PolarHBondContact O-N 3.25Å; N1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; N1117-Q1121 VanDerWaalsContact O-CG 3.31Å; N1117-Q1121 WeakPolarHBondContact O-CG 3.32Å; N1117-Q1121 PolarHBondContact O-N 2.89Å |
| 1118 | Q | 66.3 | Low | 58.7 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 31% | 0.313 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 175.8 | -63.6 | -177.9 | -20.7 | 0 | 0 | 111 | L1115 R1116 Q1121 L1122 | L1115-Q1118 HydrophobicContact CD2-CB 4.4Å; L1115-Q1118 VanDerWaalsContact CD2-OE1 3.22Å; L1115-Q1118 WeakPolarHBondContact O-CB 3.46Å; L1115-Q1118 PolarHBondContact O-N 2.96Å; L1115-Q1118 VanDerWaalsContact O-N 3.09Å; R1116-Q1118 VanDerWaalsContact C-N 3.26Å; R1116-Q1118 PolarHBondContact O-N 3.07Å; Q1118-Q1121 PolarHBondContact O-N 2.86Å; Q1118-L1122 WeakPolarHBondContact O-CB 3.16Å; Q1118-L1122 PolarHBondContact O-N 2.82Å |
| 1119 | L | 66.9 | Low | 60.9 | Low | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 172.8 | -103.1 | 163.4 | 0 | 0 | 0 | 112.2 | F987 L1003 L1006 L1115 R1116 L1122 L1123 | F987-L1119 HydrophobicContact CD1-CD2 4.4Å; F987-L1119 HydrophobicContact CE1-CD2 3.75Å; F987-L1119 HydrophobicContact CZ-CD2 4.06Å; L1003-L1119 HydrophobicContact CD2-CD1 4.17Å; L1003-L1119 HydrophobicContact CD2-CD2 4.49Å; L1006-L1119 HydrophobicContact CB-CD1 4.43Å; L1006-L1119 HydrophobicContact CD1-CD1 4.39Å; L1115-L1119 PolarHBondContact O-N 3.1Å; R1116-L1119 WeakPolarHBondContact O-CB 3Å; R1116-L1119 PolarHBondContact O-N 2.87Å; R1116-L1119 VanDerWaalsContact O-N 3.16Å; L1119-L1122 PolarHBondContact O-N 3.31Å; L1119-L1123 WeakPolarHBondContact O-CG 3.27Å; L1119-L1123 PolarHBondContact O-N 3.03Å |
| 1120 | E | 70.9 | Confident | 63.4 | Low | 44 Ų | 44 | 66 Ų | 66 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.3 | -71.9 | 177.2 | 166.1 | 0 | 0 | 111 | R1116 L1122 L1123 F1124 I1149 | R1116-E1120 HydrophobicContact CG-CG 4.21Å; R1116-E1120 WeakPolarHBondContact CG-OE1 3.23Å; R1116-E1120 IonicContact CZ-OE1 3.8Å; R1116-E1120 IonicContact NE-OE1 3.22Å; R1116-E1120 PolarHBondContact NE-OE1 3.44Å; R1116-E1120 IonicContact NH2-OE1 3.56Å; R1116-E1120 PolarHBondContact NH2-OE1 2.84Å; R1116-E1120 WeakPolarHBondContact O-CB 3.47Å; R1116-E1120 VanDerWaalsContact O-CG 3.27Å; R1116-E1120 WeakPolarHBondContact O-CG 3.35Å; R1116-E1120 PolarHBondContact O-N 3.07Å; E1120-L1122 PolarHBondContact O-N 3.33Å; E1120-L1123 PolarHBondContact O-N 3.4Å; E1120-F1124 WeakPolarHBondContact O-CB 3.4Å; E1120-F1124 PolarHBondContact O-N 2.99Å; E1120-I1149 HydrophobicContact CB-CG2 4.19Å; E1120-I1149 HydrophobicContact CG-CB 4.24Å; E1120-I1149 HydrophobicContact CG-CD1 4.01Å; E1120-I1149 HydrophobicContact CG-CG1 3.82Å; E1120-I1149 HydrophobicContact CG-CG2 3.86Å |
| 1121 | Q | 72.4 | Confident | 65.8 | Low | 143 Ų | 143 | 57 Ų | 57 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 175.3 | -78.7 | -177.7 | 8.5 | 0 | 0 | 113.2 | N1117 Q1118 F1124 R1125 | N1117-Q1121 WeakPolarHBondContact O-CB 3.35Å; N1117-Q1121 VanDerWaalsContact O-CG 3.31Å; N1117-Q1121 WeakPolarHBondContact O-CG 3.32Å; N1117-Q1121 PolarHBondContact O-N 2.89Å; Q1118-Q1121 PolarHBondContact O-N 2.86Å; Q1121-F1124 PolarHBondContact O-N 2.81Å; Q1121-R1125 WeakPolarHBondContact O-CB 3.28Å; Q1121-R1125 PolarHBondContact O-N 3.06Å |
| 1122 | L | 72.8 | Confident | 67.9 | Low | 77 Ų | 77 | 51.7 Ų | 51.7 | 40% | 0.403 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 179.4 | -151.2 | 173.9 | 0 | 0 | 0 | 110.4 | L1093 Q1118 L1119 E1120 R1125 V1126 | L1093-L1122 HydrophobicContact CD2-CD1 3.79Å; L1093-L1122 HydrophobicContact CD2-CG 4.13Å; Q1118-L1122 WeakPolarHBondContact O-CB 3.16Å; Q1118-L1122 PolarHBondContact O-N 2.82Å; L1119-L1122 PolarHBondContact O-N 3.31Å; E1120-L1122 PolarHBondContact O-N 3.33Å; L1122-R1125 PolarHBondContact O-N 3.29Å; L1122-V1126 HydrophobicContact CD2-CG2 3.93Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.16Å; L1122-V1126 PolarHBondContact O-N 2.99Å |
| 1123 | L | 74 | Confident | 70.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 176.1 | -73.3 | 164.4 | 0 | 0 | 0 | 112.4 | F987 L991 L1003 L1119 E1120 A1127 L1142 I1146 I1149 F1150 | F987-L1123 HydrophobicContact CZ-CD1 4.29Å; F987-L1123 HydrophobicContact CZ-CD2 4.45Å; L991-L1123 HydrophobicContact CD2-CD2 4.3Å; L1003-L1123 HydrophobicContact CD1-CD1 4.12Å; L1119-L1123 WeakPolarHBondContact O-CG 3.27Å; L1119-L1123 PolarHBondContact O-N 3.03Å; E1120-L1123 PolarHBondContact O-N 3.4Å; L1123-A1127 WeakPolarHBondContact O-CB 3.45Å; L1123-A1127 PolarHBondContact O-N 3.02Å; L1123-L1142 HydrophobicContact CD2-CD2 4.4Å; L1123-I1146 HydrophobicContact CD2-CD1 4.46Å; L1123-I1149 HydrophobicContact CD1-CD1 3.49Å; L1123-I1149 VanDerWaalsContact CD1-CD1 3.49Å; L1123-F1150 HydrophobicContact CB-CZ 4.1Å |
| 1124 | F | 75.7 | Confident | 71.4 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 172.6 | -127 | -93.6 | 0 | 0 | 0 | 111.8 | E1120 Q1121 A1127 T1128 F1150 W1165 | E1120-F1124 WeakPolarHBondContact O-CB 3.4Å; E1120-F1124 PolarHBondContact O-N 2.99Å; Q1121-F1124 PolarHBondContact O-N 2.81Å; F1124-A1127 PolarHBondContact O-N 3.18Å; F1124-T1128 PolarHBondContact O-N 2.93Å; F1124-T1128 PolarHBondContact O-OG1 2.86Å; F1124-F1150 AromaticContact CD2-CD1 3.82Å; F1124-F1150 HydrophobicContact CD2-CD1 3.82Å; F1124-F1150 AromaticContact CD2-CE1 3.74Å; F1124-F1150 HydrophobicContact CD2-CE1 3.74Å; F1124-F1150 AromaticContact CE2-CD1 3.86Å; F1124-F1150 HydrophobicContact CE2-CD1 3.86Å; F1124-F1150 HydrophobicContact CE2-CE1 4.25Å; F1124-F1150 HydrophobicContact CG-CE1 4.29Å; F1124-W1165 HydrophobicContact CD1-CZ2 4.37Å; F1124-W1165 AromaticContact CD1-NE1 3.81Å; F1124-W1165 AromaticContact CD2-NE1 3.89Å; F1124-W1165 HydrophobicContact CE1-CZ2 4.4Å; F1124-W1165 AromaticContact CE1-NE1 3.33Å; F1124-W1165 VanDerWaalsContact CE1-NE1 3.33Å; F1124-W1165 AromaticContact CE2-CD1 3.81Å; F1124-W1165 AromaticContact CE2-NE1 3.4Å; F1124-W1165 AromaticContact CZ-CD1 3.56Å; F1124-W1165 AromaticContact CZ-NE1 3.1Å |
| 1125 | R | 76.3 | Confident | 72.6 | Confident | 134 Ų | 134 | 43.7 Ų | 43.7 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -45.2 | -179.5 | -172.7 | 170.5 | 173.6 | -169.3 | -9.4 | 111.1 | Q1121 L1122 A1127 T1128 D1129 | Q1121-R1125 WeakPolarHBondContact O-CB 3.28Å; Q1121-R1125 PolarHBondContact O-N 3.06Å; L1122-R1125 PolarHBondContact O-N 3.29Å; R1125-A1127 PolarHBondContact O-N 2.66Å; R1125-T1128 WeakPolarHBondContact CA-OG1 3.2Å; R1125-T1128 PolarHBondContact O-N 2.92Å; R1125-T1128 PolarHBondContact O-OG1 3.02Å; R1125-D1129 WeakPolarHBondContact O-CB 3.48Å; R1125-D1129 PolarHBondContact O-N 3.37Å |
| 1126 | V | 75 | Confident | 73.7 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L1122 D1129 Y1130 L1142 | L1122-V1126 HydrophobicContact CD2-CG2 3.93Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.16Å; L1122-V1126 PolarHBondContact O-N 2.99Å; V1126-D1129 PolarHBondContact O-N 3.07Å; V1126-Y1130 HydrophobicContact CG1-CD2 3.72Å; V1126-Y1130 HydrophobicContact CG1-CE2 3.33Å; V1126-Y1130 WeakPolarHBondContact O-CD2 3.49Å; V1126-Y1130 PolarHBondContact O-N 2.84Å; V1126-L1142 HydrophobicContact CG1-CD1 4.2Å |
| 1127 | A | 74.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1123 F1124 R1125 F1131 L1142 V1143 F1150 W1165 | L1123-A1127 WeakPolarHBondContact O-CB 3.45Å; L1123-A1127 PolarHBondContact O-N 3.02Å; F1124-A1127 PolarHBondContact O-N 3.18Å; R1125-A1127 PolarHBondContact O-N 2.66Å; A1127-F1131 WeakPolarHBondContact O-CD2 3.35Å; A1127-F1131 PolarHBondContact O-N 2.77Å; A1127-F1131 VanDerWaalsContact O-N 3.13Å; A1127-L1142 HydrophobicContact CB-CD2 4.28Å; A1127-V1143 HydrophobicContact CB-CG2 4.13Å; A1127-F1150 HydrophobicContact CB-CE1 4.37Å; A1127-F1150 HydrophobicContact CB-CZ 4.37Å; A1127-W1165 HydrophobicContact CB-CH2 3.83Å; A1127-W1165 HydrophobicContact CB-CZ2 3.69Å |
| 1128 | T | 76.9 | Confident | 74.6 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | 175.7 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | F1124 R1125 F1131 S1132 W1165 N1172 | F1124-T1128 PolarHBondContact O-N 2.93Å; F1124-T1128 PolarHBondContact O-OG1 2.86Å; R1125-T1128 WeakPolarHBondContact CA-OG1 3.2Å; R1125-T1128 PolarHBondContact O-N 2.92Å; R1125-T1128 PolarHBondContact O-OG1 3.02Å; T1128-F1131 PolarHBondContact O-N 3.48Å; T1128-S1132 WeakPolarHBondContact O-CB 3.31Å; T1128-S1132 PolarHBondContact O-N 2.84Å; T1128-S1132 PolarHBondContact O-OG 2.92Å; T1128-W1165 HydrophobicContact CG2-CH2 3.99Å; T1128-W1165 HydrophobicContact CG2-CZ2 3.94Å; T1128-N1172 HydrophobicContact CG2-CB 4.36Å |
| 1129 | D | 75.7 | Confident | 75 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -45.2 | 179.6 | -117.6 | -52.6 | 0 | 0 | 0 | 111.4 | F1085 R1125 V1126 F1131 S1132 Q1133 K1176 | F1085-D1129 HydrophobicContact CZ-CB 4.26Å; R1125-D1129 WeakPolarHBondContact O-CB 3.48Å; R1125-D1129 PolarHBondContact O-N 3.37Å; V1126-D1129 PolarHBondContact O-N 3.07Å; D1129-F1131 PolarHBondContact O-N 2.91Å; D1129-S1132 PolarHBondContact O-N 2.9Å; D1129-S1132 PolarHBondContact O-OG 2.96Å; D1129-Q1133 WeakPolarHBondContact O-CG 3.37Å; D1129-Q1133 PolarHBondContact O-N 2.76Å; D1129-Q1133 PolarHBondContact OD1-NE2 3.44Å; D1129-K1176 IonicContact OD1-NZ 3.97Å; D1129-K1176 PolarHBondContact OD1-NZ 3.22Å |
| 1130 | Y | 77.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.3 | -74.5 | -44 | 0 | 0 | 0 | 112.4 | M1080 V1126 Q1133 G1134 Y1135 L1142 | M1080-Y1130 WeakPolarHBondContact CE-OH 3.28Å; V1126-Y1130 HydrophobicContact CG1-CD2 3.72Å; V1126-Y1130 HydrophobicContact CG1-CE2 3.33Å; V1126-Y1130 WeakPolarHBondContact O-CD2 3.49Å; V1126-Y1130 PolarHBondContact O-N 2.84Å; Y1130-Q1133 PolarHBondContact O-N 2.86Å; Y1130-G1134 PolarHBondContact O-N 2.84Å; Y1130-Y1135 HydrophobicContact CD1-CD2 4.07Å; Y1130-Y1135 HydrophobicContact CD1-CG 4.4Å; Y1130-Y1135 PolarHBondContact O-N 3.43Å; Y1130-L1142 HydrophobicContact CE2-CD1 4.4Å |
| 1131 | F | 76.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.5 | -53.5 | 173.2 | -99.6 | -79.6 | 0 | 0 | 0 | 111.2 | A1127 T1128 D1129 Q1133 G1134 L1136 A1139 W1165 L1166 I1173 W1264 | A1127-F1131 WeakPolarHBondContact O-CD2 3.35Å; A1127-F1131 PolarHBondContact O-N 2.77Å; A1127-F1131 VanDerWaalsContact O-N 3.13Å; T1128-F1131 PolarHBondContact O-N 3.48Å; D1129-F1131 PolarHBondContact O-N 2.91Å; F1131-Q1133 PolarHBondContact O-N 2.86Å; F1131-G1134 PolarHBondContact O-N 2.95Å; F1131-G1134 VanDerWaalsContact O-N 3.11Å; F1131-L1136 HydrophobicContact CD1-CD2 3.39Å; F1131-L1136 HydrophobicContact CE1-CD2 3.54Å; F1131-L1136 HydrophobicContact CG-CD2 4.38Å; F1131-A1139 HydrophobicContact CD2-CB 3.37Å; F1131-A1139 HydrophobicContact CE2-CB 3.49Å; F1131-A1139 VanDerWaalsContact CE2-CB 3.49Å; F1131-A1139 HydrophobicContact CG-CB 4.12Å; F1131-A1139 HydrophobicContact CZ-CB 4.34Å; F1131-W1165 AromaticContact CD2-CH2 3.92Å; F1131-W1165 HydrophobicContact CD2-CH2 3.92Å; F1131-W1165 AromaticContact CD2-CZ3 3.57Å; F1131-W1165 HydrophobicContact CD2-CZ3 3.57Å; F1131-W1165 HydrophobicContact CE2-CE3 4.34Å; F1131-W1165 HydrophobicContact CE2-CH2 4.27Å; F1131-W1165 AromaticContact CE2-CZ3 3.51Å; F1131-W1165 HydrophobicContact CE2-CZ3 3.51Å; F1131-W1165 HydrophobicContact CZ-CZ3 4.39Å; F1131-L1166 HydrophobicContact CE1-CD2 3.82Å; F1131-L1166 HydrophobicContact CZ-CD2 3.76Å; F1131-I1173 HydrophobicContact CB-CG1 4.34Å; F1131-I1173 HydrophobicContact CB-CG2 4.24Å; F1131-I1173 HydrophobicContact CD1-CG2 3.65Å; F1131-I1173 HydrophobicContact CE1-CG2 4.31Å; F1131-I1173 HydrophobicContact CG-CG1 4.44Å; F1131-I1173 HydrophobicContact CG-CG2 4.11Å; F1131-W1264 VanDerWaalsContact O-CH2 3.29Å; F1131-W1264 WeakPolarHBondContact O-CH2 3.47Å; F1131-W1264 WeakPolarHBondContact O-CZ2 3.37Å |
| 1132 | S | 76.6 | Confident | 75.4 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -18 | -176 | 76.7 | 0 | 0 | 0 | 0 | 115 | T1128 D1129 K1176 | T1128-S1132 WeakPolarHBondContact O-CB 3.31Å; T1128-S1132 PolarHBondContact O-N 2.84Å; T1128-S1132 PolarHBondContact O-OG 2.92Å; D1129-S1132 PolarHBondContact O-N 2.9Å; D1129-S1132 PolarHBondContact O-OG 2.96Å; S1132-K1176 PolarHBondContact O-N 3.21Å; S1132-K1176 WeakPolarHBondContact OG-CE 3.48Å; S1132-K1176 PolarHBondContact OG-NZ 2.93Å |
| 1133 | Q | 79 | Confident | 75.4 | Confident | 31 Ų | 31 | 25.8 Ų | 25.8 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 0.2 | -177.5 | -64.4 | -175 | 56.2 | 0 | 0 | 113.9 | D1129 Y1130 F1131 Y1135 K1176 N1185 | D1129-Q1133 WeakPolarHBondContact O-CG 3.37Å; D1129-Q1133 PolarHBondContact O-N 2.76Å; D1129-Q1133 PolarHBondContact OD1-NE2 3.44Å; Y1130-Q1133 PolarHBondContact O-N 2.86Å; F1131-Q1133 PolarHBondContact O-N 2.86Å; Q1133-Y1135 HydrophobicContact CB-CD2 4.05Å; Q1133-Y1135 HydrophobicContact CB-CE2 4.16Å; Q1133-K1176 HydrophobicContact CG-CD 4.06Å; Q1133-N1185 WeakPolarHBondContact O-CB 3.49Å; Q1133-N1185 PolarHBondContact O-ND2 3.04Å |
| 1134 | G | 74.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y1130 F1131 L1136 | Y1130-G1134 PolarHBondContact O-N 2.84Å; F1131-G1134 PolarHBondContact O-N 2.95Å; F1131-G1134 VanDerWaalsContact O-N 3.11Å; G1134-L1136 PolarHBondContact O-N 3.1Å |
| 1135 | Y | 79.9 | Confident | 74.8 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 12% | 0.122 | 13% | 0.133 | C | C | . | . | trans | -85.9 | 58.3 | 177.1 | -60.5 | -66.5 | 0 | 0 | 0 | 111.7 | L1083 Y1130 Q1133 K1137 A1139 N1185 E1189 | L1083-Y1135 HydrophobicContact CD1-CE2 4.05Å; Y1130-Y1135 HydrophobicContact CD1-CD2 4.07Å; Y1130-Y1135 HydrophobicContact CD1-CG 4.4Å; Y1130-Y1135 PolarHBondContact O-N 3.43Å; Q1133-Y1135 HydrophobicContact CB-CD2 4.05Å; Q1133-Y1135 HydrophobicContact CB-CE2 4.16Å; Y1135-K1137 PolarHBondContact O-N 3.35Å; Y1135-A1139 VanDerWaalsContact O-CB 3.29Å; Y1135-A1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-A1139 PolarHBondContact O-N 2.77Å; Y1135-N1185 HydrophobicContact CE1-CB 4.23Å; Y1135-E1189 VanDerWaalsContact CA-OE1 3.28Å; Y1135-E1189 WeakPolarHBondContact CA-OE1 3.42Å; Y1135-E1189 WeakPolarHBondContact CA-OE2 3.17Å; Y1135-E1189 WeakPolarHBondContact CB-OE1 3.49Å; Y1135-E1189 HydrophobicContact CD1-CG 4.49Å | ||
| 1136 | L | 77.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | -174.5 | -63.7 | -173.3 | 0 | 0 | 0 | 113.3 | F1131 G1134 S1140 L1186 E1189 L1252 L1256 W1264 I1268 | F1131-L1136 HydrophobicContact CD1-CD2 3.39Å; F1131-L1136 HydrophobicContact CE1-CD2 3.54Å; F1131-L1136 HydrophobicContact CG-CD2 4.38Å; G1134-L1136 PolarHBondContact O-N 3.1Å; L1136-S1140 WeakPolarHBondContact O-CB 3.36Å; L1136-S1140 PolarHBondContact O-N 3.42Å; L1136-S1140 PolarHBondContact O-OG 3.47Å; L1136-L1186 HydrophobicContact CD1-CD1 3.61Å; L1136-L1186 HydrophobicContact CD1-CG 4.38Å; L1136-L1186 HydrophobicContact CG-CD1 3.9Å; L1136-E1189 PolarHBondContact N-OE2 3.45Å; L1136-L1252 HydrophobicContact CB-CD1 4.1Å; L1136-L1252 HydrophobicContact CB-CD2 4.46Å; L1136-L1256 HydrophobicContact CD1-CD1 4.33Å; L1136-W1264 HydrophobicContact CD1-CD2 4.36Å; L1136-W1264 HydrophobicContact CD1-CE3 4Å; L1136-W1264 HydrophobicContact CD2-CD2 4Å; L1136-W1264 HydrophobicContact CD2-CE3 4.11Å; L1136-W1264 HydrophobicContact CD2-CG 4.46Å; L1136-W1264 HydrophobicContact CD2-CZ2 4.48Å; L1136-W1264 HydrophobicContact CD2-CZ3 4.39Å; L1136-W1264 HydrophobicContact CG-CE3 4.32Å; L1136-I1268 HydrophobicContact CD1-CD1 3.98Å; L1136-I1268 HydrophobicContact CD1-CG1 4.35Å |
| 1137 | K | 75.5 | Confident | 74 | Confident | 33 Ų | 33 | 22.7 Ų | 22.7 | 14% | 0.143 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.4 | -50 | -178.1 | -178.6 | 176 | 164.9 | -179.9 | 0 | 110.2 | Y1135 S1140 Q1141 E1189 F1190 | Y1135-K1137 PolarHBondContact O-N 3.35Å; K1137-S1140 PolarHBondContact O-N 2.88Å; K1137-S1140 PolarHBondContact O-OG 3.13Å; K1137-Q1141 WeakPolarHBondContact O-CG 3.46Å; K1137-Q1141 PolarHBondContact O-N 3Å; K1137-Q1141 VanDerWaalsContact O-N 3.09Å; K1137-E1189 VanDerWaalsContact CB-CD 3.42Å; K1137-E1189 HydrophobicContact CB-CG 4Å; K1137-E1189 VanDerWaalsContact CB-OE2 3.31Å; K1137-E1189 WeakPolarHBondContact CB-OE2 3.43Å; K1137-E1189 HydrophobicContact CD-CG 4.48Å; K1137-E1189 PolarHBondContact N-OE1 2.88Å; K1137-E1189 PolarHBondContact N-OE2 3.01Å; K1137-F1190 HydrophobicContact CB-CE1 4.5Å; K1137-F1190 HydrophobicContact CB-CE2 4.43Å; K1137-F1190 HydrophobicContact CB-CZ 4Å; K1137-F1190 HydrophobicContact CD-CE1 4.24Å |
| 1138 | R | 71.9 | Confident | 73.5 | Confident | 62 Ų | 62 | 26.8 Ų | 26.8 | 23% | 0.234 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.9 | -71.8 | 166.5 | 175.6 | 174.6 | -3.3 | 111.7 | M994 S1140 Q1141 L1142 E1189 | M994-R1138 HydrophobicContact CE-CB 4.17Å; M994-R1138 HydrophobicContact CE-CG 3.92Å; R1138-S1140 PolarHBondContact O-N 2.65Å; R1138-Q1141 PolarHBondContact O-N 3.24Å; R1138-L1142 PolarHBondContact O-N 2.91Å; R1138-L1142 VanDerWaalsContact O-N 3.16Å; R1138-E1189 WeakPolarHBondContact CB-OE1 3.15Å; R1138-E1189 VanDerWaalsContact CG-OE1 3.24Å; R1138-E1189 WeakPolarHBondContact CG-OE1 3.49Å; R1138-E1189 PolarHBondContact N-OE1 2.91Å |
| 1139 | A | 75.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1131 Y1135 Q1141 L1142 V1143 | F1131-A1139 HydrophobicContact CD2-CB 3.37Å; F1131-A1139 HydrophobicContact CE2-CB 3.49Å; F1131-A1139 VanDerWaalsContact CE2-CB 3.49Å; F1131-A1139 HydrophobicContact CG-CB 4.12Å; F1131-A1139 HydrophobicContact CZ-CB 4.34Å; Y1135-A1139 VanDerWaalsContact O-CB 3.29Å; Y1135-A1139 WeakPolarHBondContact O-CB 3.31Å; Y1135-A1139 PolarHBondContact O-N 2.77Å; A1139-Q1141 PolarHBondContact O-N 2.87Å; A1139-L1142 PolarHBondContact O-N 2.87Å; A1139-V1143 PolarHBondContact O-N 3.23Å |
| 1140 | S | 73.6 | Confident | 72.6 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.8 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | L1136 K1137 R1138 L1142 V1143 T1144 | L1136-S1140 WeakPolarHBondContact O-CB 3.36Å; L1136-S1140 PolarHBondContact O-N 3.42Å; L1136-S1140 PolarHBondContact O-OG 3.47Å; K1137-S1140 PolarHBondContact O-N 2.88Å; K1137-S1140 PolarHBondContact O-OG 3.13Å; R1138-S1140 PolarHBondContact O-N 2.65Å; S1140-L1142 PolarHBondContact O-N 3.26Å; S1140-V1143 PolarHBondContact O-N 3.18Å; S1140-T1144 WeakPolarHBondContact O-CG2 3.08Å; S1140-T1144 PolarHBondContact O-N 2.61Å; S1140-T1144 PolarHBondContact O-OG1 2.64Å; S1140-T1144 VanDerWaalsContact O-OG1 3.12Å |
| 1141 | Q | 72.4 | Confident | 72 | Confident | 52 Ų | 52 | 27.1 Ų | 27.1 | 24% | 0.243 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.4 | -72 | -179.3 | -11.1 | 0 | 0 | 112.2 | W996 K1137 R1138 A1139 V1143 T1144 N1145 | W996-Q1141 HydrophobicContact CZ2-CB 3.76Å; K1137-Q1141 WeakPolarHBondContact O-CG 3.46Å; K1137-Q1141 PolarHBondContact O-N 3Å; K1137-Q1141 VanDerWaalsContact O-N 3.09Å; R1138-Q1141 PolarHBondContact O-N 3.24Å; A1139-Q1141 PolarHBondContact O-N 2.87Å; Q1141-V1143 PolarHBondContact O-N 2.76Å; Q1141-T1144 PolarHBondContact O-N 2.67Å; Q1141-T1144 PolarHBondContact O-OG1 3.24Å; Q1141-N1145 VanDerWaalsContact O-CB 3.22Å; Q1141-N1145 WeakPolarHBondContact O-CB 3.33Å; Q1141-N1145 PolarHBondContact O-N 3.23Å; Q1141-N1145 PolarHBondContact O-ND2 2.94Å |
| 1142 | L | 73.1 | Confident | 70.8 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 178.2 | -165.7 | 150.5 | 0 | 0 | 0 | 111.5 | L991 W996 L1123 V1126 A1127 Y1130 R1138 A1139 S1140 I1146 F1150 | L991-L1142 HydrophobicContact CD2-CD1 4.29Å; W996-L1142 VanDerWaalsContact CH2-CA 3.48Å; W996-L1142 HydrophobicContact CH2-CB 3.56Å; W996-L1142 HydrophobicContact CH2-CD1 4.11Å; W996-L1142 HydrophobicContact CH2-CG 3.88Å; W996-L1142 HydrophobicContact CZ2-CB 4.47Å; W996-L1142 HydrophobicContact CZ3-CB 3.93Å; W996-L1142 HydrophobicContact CZ3-CD1 4.27Å; W996-L1142 HydrophobicContact CZ3-CG 3.84Å; L1123-L1142 HydrophobicContact CD2-CD2 4.4Å; V1126-L1142 HydrophobicContact CG1-CD1 4.2Å; A1127-L1142 HydrophobicContact CB-CD2 4.28Å; Y1130-L1142 HydrophobicContact CE2-CD1 4.4Å; R1138-L1142 PolarHBondContact O-N 2.91Å; R1138-L1142 VanDerWaalsContact O-N 3.16Å; A1139-L1142 PolarHBondContact O-N 2.87Å; S1140-L1142 PolarHBondContact O-N 3.26Å; L1142-I1146 PolarHBondContact O-N 3.23Å; L1142-F1150 HydrophobicContact CD2-CE2 3.6Å; L1142-F1150 HydrophobicContact CD2-CZ 3.5Å; L1142-F1150 VanDerWaalsContact CD2-CZ 3.5Å |
| 1143 | V | 72.2 | Confident | 69.4 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.8 | -35.7 | 179.9 | 176 | 0 | 0 | 0 | 0 | 112.4 | A1127 A1139 S1140 Q1141 F1150 L1162 W1165 | A1127-V1143 HydrophobicContact CB-CG2 4.13Å; A1139-V1143 PolarHBondContact O-N 3.23Å; S1140-V1143 PolarHBondContact O-N 3.18Å; Q1141-V1143 PolarHBondContact O-N 2.76Å; V1143-F1150 HydrophobicContact CB-CD2 4.32Å; V1143-F1150 HydrophobicContact CG1-CB 4.12Å; V1143-F1150 HydrophobicContact CG1-CD2 4.29Å; V1143-F1150 HydrophobicContact CG1-CG 4.11Å; V1143-F1150 HydrophobicContact CG2-CD1 4.43Å; V1143-F1150 HydrophobicContact CG2-CD2 4.33Å; V1143-F1150 HydrophobicContact CG2-CE1 4.36Å; V1143-F1150 HydrophobicContact CG2-CE2 4.29Å; V1143-F1150 HydrophobicContact CG2-CG 4.4Å; V1143-F1150 HydrophobicContact CG2-CZ 4.3Å; V1143-L1162 HydrophobicContact CB-CD1 3.85Å; V1143-L1162 HydrophobicContact CG1-CD1 3.9Å; V1143-W1165 HydrophobicContact CG1-CB 3.9Å; V1143-W1165 HydrophobicContact CG1-CD2 4.26Å; V1143-W1165 HydrophobicContact CG1-CE3 4.49Å; V1143-W1165 HydrophobicContact CG1-CG 4.01Å; V1143-W1165 HydrophobicContact CG2-CD2 4.08Å; V1143-W1165 HydrophobicContact CG2-CE3 4.1Å; V1143-W1165 HydrophobicContact CG2-CZ3 4.38Å |
| 1144 | T | 69.4 | Low | 67.6 | Low | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.4 | -32.2 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | S1140 Q1141 L1162 | S1140-T1144 WeakPolarHBondContact O-CG2 3.08Å; S1140-T1144 PolarHBondContact O-N 2.61Å; S1140-T1144 PolarHBondContact O-OG1 2.64Å; S1140-T1144 VanDerWaalsContact O-OG1 3.12Å; Q1141-T1144 PolarHBondContact O-N 2.67Å; Q1141-T1144 PolarHBondContact O-OG1 3.24Å; T1144-L1162 HydrophobicContact CG2-CB 4.19Å |
| 1145 | N | 67.3 | Low | 65.9 | Low | 63 Ų | 63 | 45.4 Ų | 45.4 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -89.2 | -14.3 | -172.2 | -65.1 | -19.1 | 0 | 0 | 0 | 113.9 | W996 Q1141 P1147 | W996-N1145 HydrophobicContact CB-CB 4.06Å; W996-N1145 HydrophobicContact CD2-CB 4.1Å; W996-N1145 HydrophobicContact CE3-CB 4.24Å; W996-N1145 HydrophobicContact CG-CB 4.03Å; W996-N1145 PolarHBondContact NE1-ND2 3.18Å; Q1141-N1145 VanDerWaalsContact O-CB 3.22Å; Q1141-N1145 WeakPolarHBondContact O-CB 3.33Å; Q1141-N1145 PolarHBondContact O-N 3.23Å; Q1141-N1145 PolarHBondContact O-ND2 2.94Å; N1145-P1147 WeakPolarHBondContact O-CD 3.39Å |
| 1146 | I | 69.3 | Low | 63.9 | Low | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | trans | -121.5 | 57.2 | 178.2 | -40.5 | 176.9 | 0 | 0 | 0 | 111 | W996 I999 L1003 L1123 L1142 E1148 I1149 F1150 | W996-I1146 HydrophobicContact CZ3-CD1 4.44Å; I999-I1146 HydrophobicContact CG2-CD1 3.74Å; L1003-I1146 HydrophobicContact CD1-CD1 4.47Å; L1003-I1146 HydrophobicContact CD1-CG2 3.69Å; L1123-I1146 HydrophobicContact CD2-CD1 4.46Å; L1142-I1146 PolarHBondContact O-N 3.23Å; I1146-E1148 PolarHBondContact O-N 3.38Å; I1146-I1149 HydrophobicContact CG2-CB 4.14Å; I1146-I1149 HydrophobicContact CG2-CD1 4.03Å; I1146-I1149 HydrophobicContact CG2-CG1 4.12Å; I1146-I1149 PolarHBondContact O-N 2.75Å; I1146-F1150 HydrophobicContact CB-CD2 4.46Å; I1146-F1150 HydrophobicContact CB-CE2 4.3Å; I1146-F1150 WeakPolarHBondContact O-CD2 3.17Å | ||
| 1147 | P | 65.8 | Low | 62.2 | Low | 52 Ų | 52 | 53.6 Ų | 53.6 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -20.4 | -175.9 | 30.8 | -37.7 | 0 | 0 | 0 | 113 | N1145 I1149 N1151 V1161 | N1145-P1147 WeakPolarHBondContact O-CD 3.39Å; P1147-I1149 PolarHBondContact O-N 3.4Å; P1147-I1149 VanDerWaalsContact O-N 3.09Å; P1147-N1151 VanDerWaalsContact O-CB 3.26Å; P1147-N1151 WeakPolarHBondContact O-CB 3.48Å; P1147-N1151 PolarHBondContact O-N 2.71Å; P1147-V1161 HydrophobicContact CB-CG1 4.37Å; P1147-V1161 HydrophobicContact CB-CG2 4.05Å |
| 1148 | E | 64.6 | Low | 60.8 | Low | 86 Ų | 86 | 58.7 Ų | 58.7 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -12.4 | 175.8 | -60.1 | 179.1 | -158.1 | 0 | 0 | 113.3 | R1004 R1116 I1146 | R1004-E1148 IonicContact CZ-OE1 3.12Å; R1004-E1148 IonicContact NE-OE1 3.36Å; R1004-E1148 IonicContact NH2-OE1 3.12Å; R1004-E1148 PolarHBondContact NH2-OE1 2.87Å; R1116-E1148 PolarHBondContact NH2-O 3.06Å; I1146-E1148 PolarHBondContact O-N 3.38Å |
| 1149 | I | 67.1 | Low | 59.8 | Low | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -115.5 | -38.4 | -179.5 | -74.6 | -173.3 | 0 | 0 | 0 | 112.9 | L1003 E1120 L1123 I1146 P1147 | L1003-I1149 HydrophobicContact CD1-CD1 3.66Å; L1003-I1149 HydrophobicContact CD2-CD1 3.85Å; L1003-I1149 HydrophobicContact CG-CD1 4.43Å; E1120-I1149 HydrophobicContact CB-CG2 4.19Å; E1120-I1149 HydrophobicContact CG-CB 4.24Å; E1120-I1149 HydrophobicContact CG-CD1 4.01Å; E1120-I1149 HydrophobicContact CG-CG1 3.82Å; E1120-I1149 HydrophobicContact CG-CG2 3.86Å; L1123-I1149 HydrophobicContact CD1-CD1 3.49Å; L1123-I1149 VanDerWaalsContact CD1-CD1 3.49Å; I1146-I1149 HydrophobicContact CG2-CB 4.14Å; I1146-I1149 HydrophobicContact CG2-CD1 4.03Å; I1146-I1149 HydrophobicContact CG2-CG1 4.12Å; I1146-I1149 PolarHBondContact O-N 2.75Å; P1147-I1149 PolarHBondContact O-N 3.4Å; P1147-I1149 VanDerWaalsContact O-N 3.09Å |
| 1150 | F | 65.9 | Low | 59.3 | Low | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -90.7 | -2.8 | -173.6 | -64.6 | -68.5 | 0 | 0 | 0 | 114.9 | L1123 F1124 A1127 L1142 V1143 I1146 V1161 W1165 | L1123-F1150 HydrophobicContact CB-CZ 4.1Å; F1124-F1150 AromaticContact CD2-CD1 3.82Å; F1124-F1150 HydrophobicContact CD2-CD1 3.82Å; F1124-F1150 AromaticContact CD2-CE1 3.74Å; F1124-F1150 HydrophobicContact CD2-CE1 3.74Å; F1124-F1150 AromaticContact CE2-CD1 3.86Å; F1124-F1150 HydrophobicContact CE2-CD1 3.86Å; F1124-F1150 HydrophobicContact CE2-CE1 4.25Å; F1124-F1150 HydrophobicContact CG-CE1 4.29Å; A1127-F1150 HydrophobicContact CB-CE1 4.37Å; A1127-F1150 HydrophobicContact CB-CZ 4.37Å; L1142-F1150 HydrophobicContact CD2-CE2 3.6Å; L1142-F1150 HydrophobicContact CD2-CZ 3.5Å; L1142-F1150 VanDerWaalsContact CD2-CZ 3.5Å; V1143-F1150 HydrophobicContact CB-CD2 4.32Å; V1143-F1150 HydrophobicContact CG1-CB 4.12Å; V1143-F1150 HydrophobicContact CG1-CD2 4.29Å; V1143-F1150 HydrophobicContact CG1-CG 4.11Å; V1143-F1150 HydrophobicContact CG2-CD1 4.43Å; V1143-F1150 HydrophobicContact CG2-CD2 4.33Å; V1143-F1150 HydrophobicContact CG2-CE1 4.36Å; V1143-F1150 HydrophobicContact CG2-CE2 4.29Å; V1143-F1150 HydrophobicContact CG2-CG 4.4Å; V1143-F1150 HydrophobicContact CG2-CZ 4.3Å; I1146-F1150 HydrophobicContact CB-CD2 4.46Å; I1146-F1150 HydrophobicContact CB-CE2 4.3Å; I1146-F1150 WeakPolarHBondContact O-CD2 3.17Å; F1150-V1161 HydrophobicContact CB-CG1 4.12Å; F1150-W1165 AromaticContact CD1-CD1 3.51Å; F1150-W1165 HydrophobicContact CD1-CG 4.34Å; F1150-W1165 AromaticContact CD1-NE1 3.42Å; F1150-W1165 AromaticContact CE1-NE1 3.85Å |
| 1151 | N | 64.3 | Low | 58.9 | Low | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -116.9 | 102 | -176.9 | -164.3 | 33.6 | 0 | 0 | 0 | 111 | P1147 G1153 V1161 M1164 | P1147-N1151 VanDerWaalsContact O-CB 3.26Å; P1147-N1151 WeakPolarHBondContact O-CB 3.48Å; P1147-N1151 PolarHBondContact O-N 2.71Å; N1151-G1153 PolarHBondContact O-N 3.21Å; N1151-V1161 HydrophobicContact CB-CG1 4.26Å; N1151-V1161 HydrophobicContact CB-CG2 4.5Å; N1151-M1164 VanDerWaalsContact OD1-CE 3.28Å; N1151-M1164 WeakPolarHBondContact OD1-CE 3.16Å |
| 1152 | D | 51.3 | Low | 58.8 | Low | 83 Ų | 83 | 59.3 Ų | 59.3 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | trans | -56.9 | 126.8 | 170.2 | -52.3 | -107.3 | 0 | 0 | 0 | 109.4 | F1154 K1168 | D1152-F1154 PolarHBondContact O-N 2.86Å; D1152-K1168 IonicContact OD1-NZ 2.67Å; D1152-K1168 PolarHBondContact OD1-NZ 3.43Å; D1152-K1168 VanDerWaalsContact OD1-NZ 3.13Å; D1152-K1168 IonicContact OD2-NZ 2.72Å; D1152-K1168 PolarHBondContact OD2-NZ 2.86Å | ||
| 1153 | G | 47.7 | Very low | 58.7 | Low | 80 Ų | 80 | 62 Ų | 62 | 83% | 0.825 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 32 | -164.6 | 0 | 0 | 0 | 0 | 0 | 118 | N1151 | N1151-G1153 PolarHBondContact O-N 3.21Š|
| 1154 | F | 41.2 | Very low | 58.6 | Low | 196 Ų | 196 | 64.5 Ų | 64.5 | 86% | 0.86 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -0.2 | -174.3 | -77.4 | -79 | 0 | 0 | 0 | 115.2 | D1152 | D1152-F1154 PolarHBondContact O-N 2.86Š|
| 1155 | C | 38.3 | Very low | 58.8 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | trans | -115.3 | 119.5 | 179.4 | -71 | 0 | 0 | 0 | 0 | 112.1 | M1164 | C1155-M1164 HydrophobicContact CB-SD 4.47Š| ||
| 1156 | T | 37.7 | Very low | 59.1 | Low | 161 Ų | 161 | 59.4 Ų | 59.4 | 99% | 0.988 | 36% | 0.355 | S | S | * | . | trans | -100.5 | 24.5 | -176.7 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1157 | G | 43 | Very low | 59.2 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -119.7 | 169 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1159 | G1157-T1159 PolarHBondContact O-N 2.65Å; G1157-T1159 PolarHBondContact O-OG1 2.93Å |
| 1158 | P | 45.7 | Very low | 59.4 | Low | 140 Ų | 140 | 67 Ų | 67 | 91% | 0.909 | 39% | 0.386 | S | S | * | . | trans | -76.9 | 55.2 | 176.9 | 34.2 | -36.6 | 0 | 0 | 0 | 111.6 | ||||
| 1159 | T | 51.1 | Low | 59.7 | Low | 66 Ų | 66 | 63.6 Ų | 63.6 | 41% | 0.405 | 37% | 0.371 | S | S | . | . | trans | -78.9 | 129.8 | 177.9 | 42.7 | 0 | 0 | 0 | 0 | 110.8 | G1157 V1161 | G1157-T1159 PolarHBondContact O-N 2.65Å; G1157-T1159 PolarHBondContact O-OG1 2.93Å; T1159-V1161 PolarHBondContact O-N 2.62Å; T1159-V1161 VanDerWaalsContact O-N 3.16Å | ||
| 1160 | N | 63.5 | Low | 59.6 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | trans | -68.5 | 113.4 | -174.6 | -164.7 | 5.3 | 0 | 0 | 0 | 111 | L1162 Q1163 M1164 Y1251 Q1255 | N1160-L1162 VanDerWaalsContact C-N 3.28Å; N1160-L1162 PolarHBondContact O-N 3.38Å; N1160-Q1163 HydrophobicContact CB-CB 4.19Å; N1160-Q1163 WeakPolarHBondContact O-CA 3.31Å; N1160-Q1163 VanDerWaalsContact O-CB 3.29Å; N1160-Q1163 WeakPolarHBondContact O-CB 3.42Å; N1160-Q1163 PolarHBondContact O-N 3.45Å; N1160-M1164 PolarHBondContact O-N 3.08Å; N1160-Y1251 PolarHBondContact ND2-OH 2.68Å; N1160-Y1251 PolarHBondContact OD1-OH 3.04Å; N1160-Q1255 PolarHBondContact ND2-NE2 2.86Å; N1160-Q1255 PolarHBondContact ND2-OE1 3.43Å | ||
| 1161 | V | 66.1 | Low | 59.4 | Low | 23 Ų | 23 | 72.6 Ų | 72.6 | 14% | 0.139 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.3 | -38.9 | -168.3 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | P1147 F1150 N1151 T1159 Q1163 M1164 W1165 | P1147-V1161 HydrophobicContact CB-CG1 4.37Å; P1147-V1161 HydrophobicContact CB-CG2 4.05Å; F1150-V1161 HydrophobicContact CB-CG1 4.12Å; N1151-V1161 HydrophobicContact CB-CG1 4.26Å; N1151-V1161 HydrophobicContact CB-CG2 4.5Å; T1159-V1161 PolarHBondContact O-N 2.62Å; T1159-V1161 VanDerWaalsContact O-N 3.16Å; V1161-Q1163 VanDerWaalsContact C-N 3.29Å; V1161-Q1163 PolarHBondContact O-N 3.16Å; V1161-M1164 PolarHBondContact O-N 3.07Å; V1161-W1165 WeakPolarHBondContact O-CB 3.45Å; V1161-W1165 PolarHBondContact O-N 3.16Å |
| 1162 | L | 70.3 | Confident | 59.4 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 174.9 | -168 | 77.3 | 0 | 0 | 0 | 112.1 | V1143 T1144 N1160 W1165 L1166 Y1251 Q1255 | V1143-L1162 HydrophobicContact CB-CD1 3.85Å; V1143-L1162 HydrophobicContact CG1-CD1 3.9Å; T1144-L1162 HydrophobicContact CG2-CB 4.19Å; N1160-L1162 VanDerWaalsContact C-N 3.28Å; N1160-L1162 PolarHBondContact O-N 3.38Å; L1162-W1165 PolarHBondContact O-N 3.2Å; L1162-L1166 HydrophobicContact CD2-CD1 4.24Å; L1162-L1166 HydrophobicContact CG-CD1 3.92Å; L1162-L1166 HydrophobicContact CG-CG 4.42Å; L1162-L1166 VanDerWaalsContact O-CB 3.26Å; L1162-L1166 WeakPolarHBondContact O-CB 3.42Å; L1162-L1166 WeakPolarHBondContact O-CD1 3.22Å; L1162-L1166 WeakPolarHBondContact O-CG 3.28Å; L1162-L1166 PolarHBondContact O-N 3.42Å; L1162-Y1251 HydrophobicContact CD2-CE1 4.31Å; L1162-Q1255 HydrophobicContact CD2-CB 4.15Å; L1162-Q1255 HydrophobicContact CD2-CG 4.11Å |
| 1163 | Q | 69.9 | Low | 60.1 | Low | 58 Ų | 58 | 71.4 Ų | 71.4 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | -179 | -168.5 | -168.5 | -13.3 | 0 | 0 | 111.8 | N1160 V1161 N1167 L1258 | N1160-Q1163 HydrophobicContact CB-CB 4.19Å; N1160-Q1163 WeakPolarHBondContact O-CA 3.31Å; N1160-Q1163 VanDerWaalsContact O-CB 3.29Å; N1160-Q1163 WeakPolarHBondContact O-CB 3.42Å; N1160-Q1163 PolarHBondContact O-N 3.45Å; V1161-Q1163 VanDerWaalsContact C-N 3.29Å; V1161-Q1163 PolarHBondContact O-N 3.16Å; Q1163-N1167 WeakPolarHBondContact O-CB 3.37Å; Q1163-N1167 PolarHBondContact O-N 3.4Å; Q1163-N1167 PolarHBondContact O-ND2 3.11Å; Q1163-L1258 HydrophobicContact CG-CB 4.13Å |
| 1164 | M | 70.3 | Confident | 61.1 | Low | 52 Ų | 52 | 70 Ų | 70 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 173.9 | -90.7 | 178.9 | 58.5 | 0 | 0 | 111.4 | N1151 C1155 N1160 V1161 N1167 K1168 | N1151-M1164 VanDerWaalsContact OD1-CE 3.28Å; N1151-M1164 WeakPolarHBondContact OD1-CE 3.16Å; C1155-M1164 HydrophobicContact CB-SD 4.47Å; N1160-M1164 PolarHBondContact O-N 3.08Å; V1161-M1164 PolarHBondContact O-N 3.07Å; M1164-N1167 PolarHBondContact O-N 3.02Å; M1164-K1168 PolarHBondContact O-N 3.48Å |
| 1165 | W | 73.8 | Confident | 62.2 | Low | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | -180 | -173.4 | 84.6 | 0 | 0 | 0 | 112.5 | F1124 A1127 T1128 F1131 V1143 F1150 V1161 L1162 K1168 N1169 I1173 | F1124-W1165 HydrophobicContact CD1-CZ2 4.37Å; F1124-W1165 AromaticContact CD1-NE1 3.81Å; F1124-W1165 AromaticContact CD2-NE1 3.89Å; F1124-W1165 HydrophobicContact CE1-CZ2 4.4Å; F1124-W1165 AromaticContact CE1-NE1 3.33Å; F1124-W1165 VanDerWaalsContact CE1-NE1 3.33Å; F1124-W1165 AromaticContact CE2-CD1 3.81Å; F1124-W1165 AromaticContact CE2-NE1 3.4Å; F1124-W1165 AromaticContact CZ-CD1 3.56Å; F1124-W1165 AromaticContact CZ-NE1 3.1Å; A1127-W1165 HydrophobicContact CB-CH2 3.83Å; A1127-W1165 HydrophobicContact CB-CZ2 3.69Å; T1128-W1165 HydrophobicContact CG2-CH2 3.99Å; T1128-W1165 HydrophobicContact CG2-CZ2 3.94Å; F1131-W1165 AromaticContact CD2-CH2 3.92Å; F1131-W1165 HydrophobicContact CD2-CH2 3.92Å; F1131-W1165 AromaticContact CD2-CZ3 3.57Å; F1131-W1165 HydrophobicContact CD2-CZ3 3.57Å; F1131-W1165 HydrophobicContact CE2-CE3 4.34Å; F1131-W1165 HydrophobicContact CE2-CH2 4.27Å; F1131-W1165 AromaticContact CE2-CZ3 3.51Å; F1131-W1165 HydrophobicContact CE2-CZ3 3.51Å; F1131-W1165 HydrophobicContact CZ-CZ3 4.39Å; V1143-W1165 HydrophobicContact CG1-CB 3.9Å; V1143-W1165 HydrophobicContact CG1-CD2 4.26Å; V1143-W1165 HydrophobicContact CG1-CE3 4.49Å; V1143-W1165 HydrophobicContact CG1-CG 4.01Å; V1143-W1165 HydrophobicContact CG2-CD2 4.08Å; V1143-W1165 HydrophobicContact CG2-CE3 4.1Å; V1143-W1165 HydrophobicContact CG2-CZ3 4.38Å; F1150-W1165 AromaticContact CD1-CD1 3.51Å; F1150-W1165 HydrophobicContact CD1-CG 4.34Å; F1150-W1165 AromaticContact CD1-NE1 3.42Å; F1150-W1165 AromaticContact CE1-NE1 3.85Å; V1161-W1165 WeakPolarHBondContact O-CB 3.45Å; V1161-W1165 PolarHBondContact O-N 3.16Å; L1162-W1165 PolarHBondContact O-N 3.2Å; W1165-K1168 PolarHBondContact O-N 3.09Å; W1165-N1169 PolarHBondContact NE1-ND2 3.14Å; W1165-N1169 WeakPolarHBondContact O-CB 3.47Å; W1165-N1169 PolarHBondContact O-N 3.17Å; W1165-N1169 PolarHBondContact O-ND2 2.91Å; W1165-I1173 HydrophobicContact CE3-CD1 4.12Å; W1165-I1173 HydrophobicContact CH2-CD1 3.9Å; W1165-I1173 HydrophobicContact CZ3-CD1 3.44Å; W1165-I1173 VanDerWaalsContact CZ3-CD1 3.44Å; W1165-I1173 HydrophobicContact CZ3-CG1 4.44Å |
| 1166 | L | 73.4 | Confident | 63.7 | Low | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 173.4 | -78.5 | 167.1 | 0 | 0 | 0 | 111.6 | F1131 L1162 K1168 N1169 V1170 I1173 Q1255 L1256 A1259 | F1131-L1166 HydrophobicContact CE1-CD2 3.82Å; F1131-L1166 HydrophobicContact CZ-CD2 3.76Å; L1162-L1166 HydrophobicContact CD2-CD1 4.24Å; L1162-L1166 HydrophobicContact CG-CD1 3.92Å; L1162-L1166 HydrophobicContact CG-CG 4.42Å; L1162-L1166 VanDerWaalsContact O-CB 3.26Å; L1162-L1166 WeakPolarHBondContact O-CB 3.42Å; L1162-L1166 WeakPolarHBondContact O-CD1 3.22Å; L1162-L1166 WeakPolarHBondContact O-CG 3.28Å; L1162-L1166 PolarHBondContact O-N 3.42Å; L1166-K1168 VanDerWaalsContact C-N 3.27Å; L1166-K1168 PolarHBondContact O-N 3.18Å; L1166-N1169 CarbonylContact O-C 3.56Å; L1166-N1169 PolarHBondContact O-N 3.11Å; L1166-V1170 VanDerWaalsContact O-CG2 3.27Å; L1166-V1170 WeakPolarHBondContact O-CG2 3.16Å; L1166-V1170 PolarHBondContact O-N 3.48Å; L1166-V1170 VanDerWaalsContact O-N 3.14Å; L1166-I1173 HydrophobicContact CD2-CD1 3.88Å; L1166-I1173 HydrophobicContact CD2-CG2 4.49Å; L1166-Q1255 HydrophobicContact CD1-CB 4.29Å; L1166-L1256 HydrophobicContact CD1-CD2 4.33Å; L1166-L1256 HydrophobicContact CD2-CD2 4.06Å; L1166-A1259 HydrophobicContact CB-CB 3.51Å; L1166-A1259 HydrophobicContact CD1-CB 4.13Å; L1166-A1259 HydrophobicContact CG-CB 4.35Å |
| 1167 | N | 71.4 | Confident | 64.9 | Low | 78 Ų | 78 | 60.1 Ų | 60.1 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -32.6 | 178.1 | -88.4 | -36.7 | 0 | 0 | 0 | 113.2 | Q1163 M1164 N1169 A1259 | Q1163-N1167 WeakPolarHBondContact O-CB 3.37Å; Q1163-N1167 PolarHBondContact O-N 3.4Å; Q1163-N1167 PolarHBondContact O-ND2 3.11Å; M1164-N1167 PolarHBondContact O-N 3.02Å; N1167-N1169 VanDerWaalsContact C-N 3.34Å; N1167-A1259 WeakPolarHBondContact OD1-CA 3.33Å |
| 1168 | K | 70.8 | Confident | 66.6 | Low | 138 Ų | 138 | 63.1 Ų | 63.1 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73.4 | -22.8 | 174.6 | -108.6 | -171.7 | 173.2 | -172.7 | 0 | 113.8 | D1152 M1164 W1165 L1166 | D1152-K1168 IonicContact OD1-NZ 2.67Å; D1152-K1168 PolarHBondContact OD1-NZ 3.43Å; D1152-K1168 VanDerWaalsContact OD1-NZ 3.13Å; D1152-K1168 IonicContact OD2-NZ 2.72Å; D1152-K1168 PolarHBondContact OD2-NZ 2.86Å; M1164-K1168 PolarHBondContact O-N 3.48Å; W1165-K1168 PolarHBondContact O-N 3.09Å; L1166-K1168 VanDerWaalsContact C-N 3.27Å; L1166-K1168 PolarHBondContact O-N 3.18Å |
| 1169 | N | 69.8 | Low | 68.3 | Low | 14 Ų | 14 | 57 Ų | 57 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -121.1 | 14.1 | -167 | -71.4 | -74.5 | 0 | 0 | 0 | 114.7 | W1165 L1166 N1167 H1171 N1172 I1173 | W1165-N1169 PolarHBondContact NE1-ND2 3.14Å; W1165-N1169 WeakPolarHBondContact O-CB 3.47Å; W1165-N1169 PolarHBondContact O-N 3.17Å; W1165-N1169 PolarHBondContact O-ND2 2.91Å; L1166-N1169 CarbonylContact O-C 3.56Å; L1166-N1169 PolarHBondContact O-N 3.11Å; N1167-N1169 VanDerWaalsContact C-N 3.34Å; N1169-H1171 PolarHBondContact O-N 2.93Å; N1169-N1172 PolarHBondContact O-N 3.11Å; N1169-I1173 HydrophobicContact CB-CD1 3.58Å; N1169-I1173 HydrophobicContact CB-CG1 4.14Å; N1169-I1173 WeakPolarHBondContact O-CG1 3.47Å; N1169-I1173 PolarHBondContact O-N 3.12Å |
| 1170 | V | 65.1 | Low | 69.7 | Low | 48 Ų | 48 | 54.7 Ų | 54.7 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -48.1 | -39.4 | -174.3 | -175.7 | 0 | 0 | 0 | 0 | 113.3 | L1166 | L1166-V1170 VanDerWaalsContact O-CG2 3.27Å; L1166-V1170 WeakPolarHBondContact O-CG2 3.16Å; L1166-V1170 PolarHBondContact O-N 3.48Å; L1166-V1170 VanDerWaalsContact O-N 3.14Å |
| 1171 | H | 62 | Low | 70.4 | Confident | 171 Ų | 171 | 56.4 Ų | 56.4 | 79% | 0.792 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -72.9 | -28.2 | 179.2 | -59.4 | -74.1 | 0 | 0 | 0 | 114.5 | N1169 | N1169-H1171 PolarHBondContact O-N 2.93Š|
| 1172 | N | 64.4 | Low | 71.1 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -87.9 | -9 | -178.6 | -66.7 | -20.6 | 0 | 0 | 0 | 113 | T1128 N1169 | T1128-N1172 HydrophobicContact CG2-CB 4.36Å; N1169-N1172 PolarHBondContact O-N 3.11Å |
| 1173 | I | 66.6 | Low | 71.6 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -101.8 | 5.7 | -170.8 | -71.4 | 175.3 | 0 | 0 | 0 | 112.2 | F1131 W1165 L1166 N1169 W1264 | F1131-I1173 HydrophobicContact CB-CG1 4.34Å; F1131-I1173 HydrophobicContact CB-CG2 4.24Å; F1131-I1173 HydrophobicContact CD1-CG2 3.65Å; F1131-I1173 HydrophobicContact CE1-CG2 4.31Å; F1131-I1173 HydrophobicContact CG-CG1 4.44Å; F1131-I1173 HydrophobicContact CG-CG2 4.11Å; W1165-I1173 HydrophobicContact CE3-CD1 4.12Å; W1165-I1173 HydrophobicContact CH2-CD1 3.9Å; W1165-I1173 HydrophobicContact CZ3-CD1 3.44Å; W1165-I1173 VanDerWaalsContact CZ3-CD1 3.44Å; W1165-I1173 HydrophobicContact CZ3-CG1 4.44Å; L1166-I1173 HydrophobicContact CD2-CD1 3.88Å; L1166-I1173 HydrophobicContact CD2-CG2 4.49Å; N1169-I1173 HydrophobicContact CB-CD1 3.58Å; N1169-I1173 HydrophobicContact CB-CG1 4.14Å; N1169-I1173 WeakPolarHBondContact O-CG1 3.47Å; N1169-I1173 PolarHBondContact O-N 3.12Å; I1173-W1264 PolarHBondContact O-NE1 2.91Å | ||
| 1174 | Q | 68.7 | Low | 72.1 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -57.8 | 143.1 | 172.6 | -59.3 | -139 | -72 | 0 | 0 | 111 | E1263 | Q1174-E1263 PolarHBondContact NE2-OE1 2.81Å; Q1174-E1263 PolarHBondContact NE2-OE2 3.29Å |
| 1175 | P | 65 | Low | 72.6 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 139 | 171.4 | 26.8 | -34.2 | 0 | 0 | 0 | 110.3 | W1179 V1182 E1263 W1264 | P1175-W1179 HydrophobicContact CG-CD2 4.37Å; P1175-W1179 HydrophobicContact CG-CE3 4.36Å; P1175-W1179 HydrophobicContact CG-CH2 3.75Å; P1175-W1179 HydrophobicContact CG-CZ2 3.73Å; P1175-W1179 HydrophobicContact CG-CZ3 4.08Å; P1175-V1182 HydrophobicContact CB-CG1 3.99Å; P1175-E1263 HydrophobicContact CG-CB 4.36Å; P1175-W1264 HydrophobicContact CB-CH2 3.97Å; P1175-W1264 HydrophobicContact CB-CZ2 3.9Å |
| 1176 | K | 68 | Low | 72.9 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 149.3 | 170.5 | -81.4 | 171.2 | -178.1 | 167.4 | 0 | 109.8 | D1129 S1132 Q1133 N1178 | D1129-K1176 IonicContact OD1-NZ 3.97Å; D1129-K1176 PolarHBondContact OD1-NZ 3.22Å; S1132-K1176 PolarHBondContact O-N 3.21Å; S1132-K1176 WeakPolarHBondContact OG-CE 3.48Å; S1132-K1176 PolarHBondContact OG-NZ 2.93Å; Q1133-K1176 HydrophobicContact CG-CD 4.06Å; K1176-N1178 PolarHBondContact O-N 2.79Å |
| 1177 | P | 64.3 | Low | 73.2 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 74% | 0.74 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -65.4 | -0.1 | -161.7 | 25.1 | -36.4 | 0 | 0 | 0 | 116.5 | W1179 | P1177-W1179 PolarHBondContact O-N 3.44Š|
| 1178 | N | 79.1 | Confident | 73.4 | Confident | 106 Ų | 106 | 54 Ų | 54 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | trans | -96.8 | 69.2 | 177.8 | -161.1 | 4.6 | 0 | 0 | 0 | 109.7 | K1176 P1180 Q1181 V1182 | K1176-N1178 PolarHBondContact O-N 2.79Å; N1178-P1180 VanDerWaalsContact C-CD 3.45Å; N1178-Q1181 PolarHBondContact O-N 2.8Å; N1178-Q1181 VanDerWaalsContact O-N 3.15Å; N1178-V1182 PolarHBondContact O-N 2.8Å | ||
| 1179 | W | 80.9 | Confident | 73.6 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.5 | -41.6 | -170.7 | -77.3 | 84.1 | 0 | 0 | 0 | 114.9 | P1175 P1177 Q1181 V1182 F1183 E1263 L1267 L1311 G1314 I1318 | P1175-W1179 HydrophobicContact CG-CD2 4.37Å; P1175-W1179 HydrophobicContact CG-CE3 4.36Å; P1175-W1179 HydrophobicContact CG-CH2 3.75Å; P1175-W1179 HydrophobicContact CG-CZ2 3.73Å; P1175-W1179 HydrophobicContact CG-CZ3 4.08Å; P1177-W1179 PolarHBondContact O-N 3.44Å; W1179-Q1181 PolarHBondContact O-N 2.85Å; W1179-V1182 PolarHBondContact O-N 2.89Å; W1179-F1183 PolarHBondContact O-N 2.82Å; W1179-E1263 HydrophobicContact CH2-CB 3.87Å; W1179-E1263 HydrophobicContact CH2-CG 3.92Å; W1179-E1263 HydrophobicContact CZ2-CG 4.47Å; W1179-L1267 HydrophobicContact CE3-CD1 4.16Å; W1179-L1267 HydrophobicContact CE3-CD2 4.09Å; W1179-L1267 HydrophobicContact CE3-CG 4.49Å; W1179-L1267 HydrophobicContact CZ3-CD1 3.82Å; W1179-L1267 HydrophobicContact CZ3-CD2 4.06Å; W1179-L1267 HydrophobicContact CZ3-CG 4.04Å; W1179-L1311 HydrophobicContact CH2-CD1 4.21Å; W1179-G1314 VanDerWaalsContact CG-CA 3.46Å; W1179-I1318 HydrophobicContact CB-CD1 4.23Å; W1179-I1318 HydrophobicContact CB-CG1 4.23Å; W1179-I1318 HydrophobicContact CE3-CD1 4.16Å |
| 1180 | P | 79.5 | Confident | 73.8 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 178.5 | -26.8 | 36.9 | 0 | 0 | 0 | 113.5 | N1178 F1183 L1184 E1317 W1321 | N1178-P1180 VanDerWaalsContact C-CD 3.45Å; P1180-F1183 PolarHBondContact O-N 3.42Å; P1180-L1184 WeakPolarHBondContact O-CB 3.43Å; P1180-L1184 PolarHBondContact O-N 2.9Å; P1180-E1317 HydrophobicContact CG-CB 4.23Å; P1180-W1321 HydrophobicContact CB-CB 4Å; P1180-W1321 HydrophobicContact CB-CD2 3.88Å; P1180-W1321 HydrophobicContact CB-CE3 4.4Å; P1180-W1321 HydrophobicContact CB-CG 3.67Å; P1180-W1321 HydrophobicContact CG-CB 4.02Å; P1180-W1321 HydrophobicContact CG-CG 4.23Å |
| 1181 | Q | 79.2 | Confident | 73.9 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 179.4 | -173.6 | 62.3 | 50.6 | 0 | 0 | 111.7 | N1178 W1179 F1183 L1184 N1185 | N1178-Q1181 PolarHBondContact O-N 2.8Å; N1178-Q1181 VanDerWaalsContact O-N 3.15Å; W1179-Q1181 PolarHBondContact O-N 2.85Å; Q1181-F1183 VanDerWaalsContact C-N 3.33Å; Q1181-L1184 PolarHBondContact O-N 2.7Å; Q1181-N1185 PolarHBondContact NE2-OD1 3.01Å; Q1181-N1185 WeakPolarHBondContact O-CB 3.44Å; Q1181-N1185 PolarHBondContact O-N 2.94Å; Q1181-N1185 PolarHBondContact O-OD1 3.25Å |
| 1182 | V | 80.8 | Confident | 74 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 111 | P1175 N1178 W1179 L1186 W1264 | P1175-V1182 HydrophobicContact CB-CG1 3.99Å; N1178-V1182 PolarHBondContact O-N 2.8Å; W1179-V1182 PolarHBondContact O-N 2.89Å; V1182-L1186 WeakPolarHBondContact O-CB 3.41Å; V1182-L1186 PolarHBondContact O-N 2.98Å; V1182-W1264 HydrophobicContact CG1-CH2 3.36Å; V1182-W1264 HydrophobicContact CG1-CZ3 3.61Å |
| 1183 | F | 81.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 174.4 | -173.1 | -116.6 | 0 | 0 | 0 | 112.2 | W1179 P1180 Q1181 L1186 L1187 L1267 L1270 I1271 I1318 W1321 Y1329 | W1179-F1183 PolarHBondContact O-N 2.82Å; P1180-F1183 PolarHBondContact O-N 3.42Å; Q1181-F1183 VanDerWaalsContact C-N 3.33Å; F1183-L1186 PolarHBondContact O-N 2.9Å; F1183-L1187 HydrophobicContact CD1-CD1 3.88Å; F1183-L1187 HydrophobicContact CE1-CD1 3.7Å; F1183-L1187 HydrophobicContact CE1-CG 4.36Å; F1183-L1187 HydrophobicContact CZ-CD1 4.25Å; F1183-L1187 HydrophobicContact CZ-CG 4.47Å; F1183-L1187 WeakPolarHBondContact O-CG 3.46Å; F1183-L1187 PolarHBondContact O-N 2.86Å; F1183-L1267 HydrophobicContact CD2-CD2 3.87Å; F1183-L1270 HydrophobicContact CD2-CD2 4.46Å; F1183-L1270 HydrophobicContact CE1-CD2 4.47Å; F1183-L1270 HydrophobicContact CE2-CB 4.26Å; F1183-L1270 HydrophobicContact CE2-CD2 3.76Å; F1183-L1270 HydrophobicContact CE2-CG 4.01Å; F1183-L1270 HydrophobicContact CZ-CD2 3.77Å; F1183-L1270 HydrophobicContact CZ-CG 3.9Å; F1183-I1271 HydrophobicContact CD2-CG1 4.41Å; F1183-I1271 HydrophobicContact CE2-CD1 4.22Å; F1183-I1271 HydrophobicContact CE2-CG1 3.54Å; F1183-I1271 HydrophobicContact CZ-CG1 4Å; F1183-I1318 HydrophobicContact CB-CD1 4.04Å; F1183-I1318 HydrophobicContact CB-CG1 4.42Å; F1183-I1318 HydrophobicContact CD1-CG2 4.06Å; F1183-I1318 HydrophobicContact CE1-CG2 4.21Å; F1183-I1318 HydrophobicContact CG-CD1 4.24Å; F1183-W1321 HydrophobicContact CD1-CZ3 4.21Å; F1183-Y1329 HydrophobicContact CE1-CD2 4.27Å; F1183-Y1329 HydrophobicContact CE1-CE2 4.48Å; F1183-Y1329 HydrophobicContact CE1-CG 4.38Å; F1183-Y1329 HydrophobicContact CZ-CD1 4.24Å; F1183-Y1329 HydrophobicContact CZ-CE1 4.24Å; F1183-Y1329 HydrophobicContact CZ-CG 4.43Å |
| 1184 | L | 79.4 | Confident | 72.5 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.2 | -146.5 | 178.6 | 0 | 0 | 0 | 111.6 | P1180 Q1181 L1186 L1187 Q1188 W1321 | P1180-L1184 WeakPolarHBondContact O-CB 3.43Å; P1180-L1184 PolarHBondContact O-N 2.9Å; Q1181-L1184 PolarHBondContact O-N 2.7Å; L1184-L1186 VanDerWaalsContact C-N 3.27Å; L1184-L1186 PolarHBondContact O-N 2.78Å; L1184-L1187 PolarHBondContact O-N 2.94Å; L1184-Q1188 HydrophobicContact CD2-CG 4.08Å; L1184-Q1188 WeakPolarHBondContact O-CG 3.46Å; L1184-Q1188 PolarHBondContact O-N 2.94Å; L1184-W1321 HydrophobicContact CB-CH2 4.39Å; L1184-W1321 HydrophobicContact CD1-CH2 4.17Å; L1184-W1321 HydrophobicContact CD1-CZ2 3.67Å; L1184-W1321 HydrophobicContact CG-CH2 3.95Å; L1184-W1321 HydrophobicContact CG-CZ2 3.99Å |
| 1185 | N | 80.2 | Confident | 71.1 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 175.1 | -70 | -3.6 | 0 | 0 | 0 | 111.8 | Q1133 Y1135 Q1181 Q1188 E1189 | Q1133-N1185 WeakPolarHBondContact O-CB 3.49Å; Q1133-N1185 PolarHBondContact O-ND2 3.04Å; Y1135-N1185 HydrophobicContact CE1-CB 4.23Å; Q1181-N1185 PolarHBondContact NE2-OD1 3.01Å; Q1181-N1185 WeakPolarHBondContact O-CB 3.44Å; Q1181-N1185 PolarHBondContact O-N 2.94Å; Q1181-N1185 PolarHBondContact O-OD1 3.25Å; N1185-Q1188 PolarHBondContact O-N 3.17Å; N1185-E1189 PolarHBondContact O-N 2.81Å |
| 1186 | L | 81.6 | Confident | 69.8 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.6 | -37.7 | -178.7 | -151.3 | 155.7 | 0 | 0 | 0 | 111.6 | L1136 V1182 F1183 L1184 Q1188 E1189 F1190 W1264 I1271 | L1136-L1186 HydrophobicContact CD1-CD1 3.61Å; L1136-L1186 HydrophobicContact CD1-CG 4.38Å; L1136-L1186 HydrophobicContact CG-CD1 3.9Å; V1182-L1186 WeakPolarHBondContact O-CB 3.41Å; V1182-L1186 PolarHBondContact O-N 2.98Å; F1183-L1186 PolarHBondContact O-N 2.9Å; L1184-L1186 VanDerWaalsContact C-N 3.27Å; L1184-L1186 PolarHBondContact O-N 2.78Å; L1186-Q1188 VanDerWaalsContact C-N 3.35Å; L1186-Q1188 PolarHBondContact O-N 2.83Å; L1186-E1189 PolarHBondContact O-N 2.88Å; L1186-F1190 HydrophobicContact CD2-CD2 3.83Å; L1186-F1190 HydrophobicContact CD2-CE2 3.94Å; L1186-F1190 HydrophobicContact CG-CE2 4.49Å; L1186-F1190 WeakPolarHBondContact O-CD2 3.5Å; L1186-F1190 PolarHBondContact O-N 2.99Å; L1186-W1264 HydrophobicContact CD1-CE3 3.71Å; L1186-W1264 HydrophobicContact CD1-CZ3 3.54Å; L1186-I1271 HydrophobicContact CB-CD1 4.49Å; L1186-I1271 HydrophobicContact CD2-CD1 3.35Å; L1186-I1271 HydrophobicContact CG-CD1 4.48Å |
| 1187 | L | 79.1 | Confident | 68.2 | Low | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 169.3 | -75.3 | 167 | 0 | 0 | 0 | 111.6 | F1183 L1184 N1191 F1192 V1194 I1271 I1326 Y1329 | F1183-L1187 HydrophobicContact CD1-CD1 3.88Å; F1183-L1187 HydrophobicContact CE1-CD1 3.7Å; F1183-L1187 HydrophobicContact CE1-CG 4.36Å; F1183-L1187 HydrophobicContact CZ-CD1 4.25Å; F1183-L1187 HydrophobicContact CZ-CG 4.47Å; F1183-L1187 WeakPolarHBondContact O-CG 3.46Å; F1183-L1187 PolarHBondContact O-N 2.86Å; L1184-L1187 PolarHBondContact O-N 2.94Å; L1187-N1191 PolarHBondContact O-N 3.17Å; L1187-F1192 HydrophobicContact CB-CB 4.33Å; L1187-F1192 HydrophobicContact CD2-CB 3.66Å; L1187-F1192 HydrophobicContact CD2-CG 4.18Å; L1187-F1192 PolarHBondContact O-N 2.81Å; L1187-V1194 HydrophobicContact CD1-CG2 4.25Å; L1187-I1271 HydrophobicContact CD2-CD1 3.88Å; L1187-I1271 HydrophobicContact CD2-CG1 3.86Å; L1187-I1271 HydrophobicContact CD2-CG2 4.21Å; L1187-I1271 HydrophobicContact CG-CD1 4.14Å; L1187-I1271 HydrophobicContact CG-CG1 4.43Å; L1187-I1326 HydrophobicContact CD1-CD1 3.66Å; L1187-Y1329 HydrophobicContact CD1-CE2 4.32Å; L1187-Y1329 HydrophobicContact CD2-CE2 4.12Å; L1187-Y1329 WeakPolarHBondContact CD2-OH 3.34Å |
| 1188 | Q | 75.2 | Confident | 66.5 | Low | 115 Ų | 115 | 58 Ų | 58 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.6 | -73 | -178.5 | -7.5 | 0 | 0 | 112.6 | L1184 N1185 L1186 F1190 N1191 | L1184-Q1188 HydrophobicContact CD2-CG 4.08Å; L1184-Q1188 WeakPolarHBondContact O-CG 3.46Å; L1184-Q1188 PolarHBondContact O-N 2.94Å; N1185-Q1188 PolarHBondContact O-N 3.17Å; L1186-Q1188 VanDerWaalsContact C-N 3.35Å; L1186-Q1188 PolarHBondContact O-N 2.83Å; Q1188-F1190 PolarHBondContact O-N 2.8Å; Q1188-N1191 PolarHBondContact O-N 2.82Å; Q1188-N1191 PolarHBondContact O-OD1 2.87Å |
| 1189 | E | 74.6 | Confident | 64.3 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -24.6 | -176 | -157.6 | -171.3 | -146.9 | 0 | 0 | 113.9 | Y1135 L1136 K1137 R1138 N1185 L1186 | Y1135-E1189 VanDerWaalsContact CA-OE1 3.28Å; Y1135-E1189 WeakPolarHBondContact CA-OE1 3.42Å; Y1135-E1189 WeakPolarHBondContact CA-OE2 3.17Å; Y1135-E1189 WeakPolarHBondContact CB-OE1 3.49Å; Y1135-E1189 HydrophobicContact CD1-CG 4.49Å; L1136-E1189 PolarHBondContact N-OE2 3.45Å; K1137-E1189 VanDerWaalsContact CB-CD 3.42Å; K1137-E1189 HydrophobicContact CB-CG 4Å; K1137-E1189 VanDerWaalsContact CB-OE2 3.31Å; K1137-E1189 WeakPolarHBondContact CB-OE2 3.43Å; K1137-E1189 HydrophobicContact CD-CG 4.48Å; K1137-E1189 PolarHBondContact N-OE1 2.88Å; K1137-E1189 PolarHBondContact N-OE2 3.01Å; R1138-E1189 WeakPolarHBondContact CB-OE1 3.15Å; R1138-E1189 VanDerWaalsContact CG-OE1 3.24Å; R1138-E1189 WeakPolarHBondContact CG-OE1 3.49Å; R1138-E1189 PolarHBondContact N-OE1 2.91Å; N1185-E1189 PolarHBondContact O-N 2.81Å; L1186-E1189 PolarHBondContact O-N 2.88Å |
| 1190 | F | 74.1 | Confident | 61.7 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 10.7 | 175.2 | -71.3 | -83.8 | 0 | 0 | 0 | 114.1 | K1137 L1186 Q1188 F1192 Q1248 L1249 L1252 | K1137-F1190 HydrophobicContact CB-CE1 4.5Å; K1137-F1190 HydrophobicContact CB-CE2 4.43Å; K1137-F1190 HydrophobicContact CB-CZ 4Å; K1137-F1190 HydrophobicContact CD-CE1 4.24Å; L1186-F1190 HydrophobicContact CD2-CD2 3.83Å; L1186-F1190 HydrophobicContact CD2-CE2 3.94Å; L1186-F1190 HydrophobicContact CG-CE2 4.49Å; L1186-F1190 WeakPolarHBondContact O-CD2 3.5Å; L1186-F1190 PolarHBondContact O-N 2.99Å; Q1188-F1190 PolarHBondContact O-N 2.8Å; F1190-F1192 VanDerWaalsContact C-N 3.34Å; F1190-F1192 HydrophobicContact CB-CD2 3.81Å; F1190-F1192 HydrophobicContact CB-CE2 3.89Å; F1190-F1192 PolarHBondContact O-N 2.84Å; F1190-Q1248 HydrophobicContact CE1-CB 4.23Å; F1190-L1249 HydrophobicContact CD1-CD1 4.16Å; F1190-L1249 HydrophobicContact CD1-CD2 3.74Å; F1190-L1249 HydrophobicContact CD1-CG 3.7Å; F1190-L1249 HydrophobicContact CD2-CD2 4.05Å; F1190-L1249 HydrophobicContact CE1-CD2 3.66Å; F1190-L1249 HydrophobicContact CE1-CG 3.73Å; F1190-L1249 HydrophobicContact CE2-CD2 3.98Å; F1190-L1249 HydrophobicContact CG-CD2 3.94Å; F1190-L1249 HydrophobicContact CG-CG 4.29Å; F1190-L1249 HydrophobicContact CZ-CD2 3.79Å; F1190-L1249 HydrophobicContact CZ-CG 4.35Å; F1190-L1252 HydrophobicContact CZ-CD1 3.82Å |
| 1191 | N | 67.7 | Low | 59.1 | Low | 125 Ų | 125 | 72.9 Ų | 72.9 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 32.3 | -179.7 | -68.5 | 0.2 | 0 | 0 | 0 | 115.1 | L1187 Q1188 V1193 | L1187-N1191 PolarHBondContact O-N 3.17Å; Q1188-N1191 PolarHBondContact O-N 2.82Å; Q1188-N1191 PolarHBondContact O-OD1 2.87Å; N1191-V1193 PolarHBondContact O-N 2.9Å |
| 1192 | F | 64.5 | Low | 56.5 | Low | 37 Ų | 37 | 72.4 Ų | 72.4 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -78.8 | 104.9 | 167.7 | -73.9 | -88.5 | 0 | 0 | 0 | 109.3 | L1187 F1190 V1194 V1241 L1249 I1271 | L1187-F1192 HydrophobicContact CB-CB 4.33Å; L1187-F1192 HydrophobicContact CD2-CB 3.66Å; L1187-F1192 HydrophobicContact CD2-CG 4.18Å; L1187-F1192 PolarHBondContact O-N 2.81Å; F1190-F1192 VanDerWaalsContact C-N 3.34Å; F1190-F1192 HydrophobicContact CB-CD2 3.81Å; F1190-F1192 HydrophobicContact CB-CE2 3.89Å; F1190-F1192 PolarHBondContact O-N 2.84Å; F1192-V1194 PolarHBondContact O-N 3.49Å; F1192-V1241 HydrophobicContact CE1-CG2 3.96Å; F1192-V1241 HydrophobicContact CZ-CG1 4.28Å; F1192-V1241 HydrophobicContact CZ-CG2 4.32Å; F1192-L1249 HydrophobicContact CE2-CD1 4.15Å; F1192-L1249 HydrophobicContact CZ-CD1 4.46Å; F1192-I1271 HydrophobicContact CD1-CG2 4.28Å; F1192-I1271 HydrophobicContact CD2-CG2 3.67Å; F1192-I1271 HydrophobicContact CE1-CG2 4.09Å; F1192-I1271 HydrophobicContact CE2-CG2 3.45Å; F1192-I1271 VanDerWaalsContact CE2-CG2 3.45Å; F1192-I1271 HydrophobicContact CG-CG2 4.09Å; F1192-I1271 HydrophobicContact CZ-CG2 3.67Å | ||
| 1193 | V | 51 | Low | 53.8 | Low | 129 Ų | 129 | 79.7 Ų | 79.7 | 78% | 0.782 | 47% | 0.465 | S | S | * | . | trans | -65.7 | 116.2 | -173.3 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | N1191 V1195 | N1191-V1193 PolarHBondContact O-N 2.9Å; V1193-V1195 HydrophobicContact CG1-CG2 4.01Å | ||
| 1194 | V | 48.5 | Very low | 51.1 | Low | 44 Ų | 44 | 90.7 Ų | 90.7 | 27% | 0.267 | 51% | 0.509 | S | S | . | . | trans | -94.7 | 119.8 | 166.5 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | L1187 F1192 I1326 | L1187-V1194 HydrophobicContact CD1-CG2 4.25Å; F1192-V1194 PolarHBondContact O-N 3.49Å; V1194-I1326 HydrophobicContact CB-CD1 4.48Å; V1194-I1326 HydrophobicContact CG1-CD1 4.08Å; V1194-I1326 HydrophobicContact CG1-CG1 3.97Å; V1194-I1326 HydrophobicContact CG2-CD1 3.59Å; V1194-I1326 HydrophobicContact CG2-CG1 4.32Å | ||
| 1195 | V | 40 | Very low | 48.3 | Very low | 114 Ų | 114 | 93.7 Ų | 93.7 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | trans | -97.1 | 104.8 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | V1193 S1197 | V1193-V1195 HydrophobicContact CG1-CG2 4.01Å; V1195-S1197 PolarHBondContact O-N 2.78Å | ||
| 1196 | D | 36.9 | Very low | 45.6 | Very low | 124 Ų | 124 | 105.5 Ų | 105.5 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | trans | -64.4 | 100.6 | 174.4 | -88.2 | -24.2 | 0 | 0 | 0 | 110.6 | N1198 | D1196-N1198 PolarHBondContact O-N 3Å; D1196-N1198 VanDerWaalsContact O-N 3.15Å | ||
| 1197 | S | 33.7 | Very low | 42.7 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | trans | -77.4 | 7.6 | -177.2 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | V1195 | V1195-S1197 PolarHBondContact O-N 2.78Š| ||
| 1198 | N | 29.5 | Very low | 40.1 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | trans | -130.9 | 47.3 | -165.7 | -85.7 | -36.6 | 0 | 0 | 0 | 114.6 | D1196 | D1196-N1198 PolarHBondContact O-N 3Å; D1196-N1198 VanDerWaalsContact O-N 3.15Å | ||
| 1199 | R | 32.9 | Very low | 37.7 | Very low | 237 Ų | 237 | 116.7 Ų | 116.7 | 89% | 0.894 | 66% | 0.661 | S | S | * | * | trans | -138.2 | 72.2 | 163.9 | -75.5 | -161.2 | 176.9 | -168.9 | 1.5 | 114.2 | ||||
| 1200 | S | 26.5 | Very low | 35.6 | Very low | 132 Ų | 132 | 121 Ų | 121 | 92% | 0.923 | 69% | 0.691 | S | S | * | * | trans | -91.5 | 94.7 | 163.6 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1201 | G | 24.4 | Very low | 33.1 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 112.5 | 139.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1202 | G | 24 | Very low | 30.9 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | 129 | 90.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1203 | I | 24.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -76.4 | 124 | 172.3 | -62.2 | 164 | 0 | 0 | 0 | 108.8 | ||||
| 1204 | Y | 25.1 | Very low | 27.9 | Very low | 232 Ų | 232 | 137.5 Ų | 137.5 | 91% | 0.91 | 78% | 0.776 | S | S | * | * | trans | -145.3 | 142.9 | 140.3 | -89.4 | -66.3 | 0 | 0 | 0 | 110.2 | ||||
| 1205 | S | 21.7 | Very low | 26.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -85.6 | 162 | 178.6 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1206 | W | 22.8 | Very low | 25.8 | Very low | 260 Ų | 260 | 143.9 Ų | 143.9 | 99% | 0.985 | 80% | 0.804 | S | S | * | * | -152.7 | 164.1 | 124.1 | -99.7 | 16.7 | 0 | 0 | 0 | 108.7 | |||||
| 1207 | S | 20.5 | Very low | 25.1 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 160.2 | -157.9 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1208 | T | 24.8 | Very low | 24.6 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | 95.4 | 134.7 | 174.1 | 69.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1209 | S | 24.8 | Very low | 24.3 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | cis | -146.5 | 161.9 | -8.4 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1210 | P | 29 | Very low | 23.8 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | trans | -96.7 | 142.2 | -176.7 | 35.9 | -32.3 | 0 | 0 | 0 | 113.5 | ||||
| 1211 | N | 21.7 | Very low | 23.7 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 166.2 | 107.8 | 134.6 | -87 | -16.8 | 0 | 0 | 0 | 111.7 | ||||
| 1212 | E | 23 | Very low | 23.7 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | -175.2 | 149.9 | 116.3 | -102 | -169 | 167.2 | 0 | 0 | 110.4 | |||||
| 1213 | P | 26.4 | Very low | 23.7 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -90.9 | 141.7 | -175 | 35 | -33.1 | 0 | 0 | 0 | 112.8 | ||||
| 1214 | L | 25.1 | Very low | 23.6 | Very low | 177 Ų | 177 | 150 Ų | 150 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | trans | -128.4 | 144.5 | 165.7 | -85 | 174.7 | 0 | 0 | 0 | 112.3 | ||||
| 1215 | L | 23.1 | Very low | 23.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -73.6 | 141.8 | -166.8 | -84.5 | 67.1 | 0 | 0 | 0 | 113.8 | ||||
| 1216 | N | 21.3 | Very low | 23.7 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 33.6 | 96 | 134 | -55.3 | -14.3 | 0 | 0 | 0 | 118.3 | ||||
| 1217 | S | 23.4 | Very low | 23.9 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | -144.2 | 111.8 | 129 | 53 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1218 | S | 21.9 | Very low | 24.1 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -96.9 | 116.2 | 180 | 38.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1219 | I | 24.8 | Very low | 24.2 | Very low | 162 Ų | 162 | 149.5 Ų | 149.5 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -128.2 | 118.1 | 162.7 | -61.8 | -178.3 | 0 | 0 | 0 | 107.5 | ||||
| 1220 | M | 22.3 | Very low | 24.2 | Very low | 168 Ų | 168 | 150 Ų | 150 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -74.1 | 141.5 | 171.8 | -74.7 | -179.2 | 159.8 | 0 | 0 | 110.2 | ||||
| 1221 | V | 24.4 | Very low | 23.9 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -103.2 | 109.3 | 151.5 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1222 | Q | 22.9 | Very low | 24.2 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 83% | 0.826 | S | S | * | * | trans | -76.1 | 130.9 | 165.4 | -71.9 | -177.2 | -89.2 | 0 | 0 | 108.3 | ||||
| 1223 | N | 23.7 | Very low | 24.3 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -67.9 | 132.6 | 159.4 | -73.4 | -24.9 | 0 | 0 | 0 | 108.2 | ||||
| 1224 | D | 23 | Very low | 24.2 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -143.8 | 135.1 | 148.9 | -108.1 | -40.7 | 0 | 0 | 0 | 110 | ||||
| 1225 | N | 25.2 | Very low | 24.3 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -96.3 | 127.6 | -178.8 | -70 | -67.6 | 0 | 0 | 0 | 109.8 | ||||
| 1226 | T | 24.3 | Very low | 24.4 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -162.3 | 125.7 | 150.3 | 1.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1227 | F | 26 | Very low | 24.8 | Very low | 220 Ų | 220 | 144 Ų | 144 | 97% | 0.965 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 135.2 | 165.5 | -96.3 | -104.8 | 0 | 0 | 0 | 109.7 | ||||
| 1228 | S | 24.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -157.8 | 152.3 | 152 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1229 | E | 27 | Very low | 26 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -92.6 | 170 | -170.2 | -60.9 | 177.1 | 122.3 | 0 | 0 | 113 | ||||
| 1230 | S | 24.8 | Very low | 26.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 75.9 | 77.6 | 167.5 | 72.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1231 | S | 23.7 | Very low | 28.3 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -156.6 | 155.3 | 144.2 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1232 | P | 27.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -70.7 | 137.9 | -179.2 | 28.2 | -34.3 | 0 | 0 | 0 | 111.9 | N1234 | P1232-N1234 PolarHBondContact O-N 2.79Å; P1232-N1234 VanDerWaalsContact O-N 3.08Å | ||
| 1233 | F | 25.8 | Very low | 31.4 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -55.8 | 109.5 | -174.4 | -77 | -89.8 | 0 | 0 | 0 | 113.5 | F1235 | F1233-F1235 HydrophobicContact CB-CD2 4.07Å; F1233-F1235 HydrophobicContact CB-CE2 3.96Å; F1233-F1235 HydrophobicContact CD1-CE2 4.16Å; F1233-F1235 HydrophobicContact CG-CE2 4.32Å | ||
| 1234 | N | 22.6 | Very low | 33 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -101 | 88.9 | 177.1 | -136.9 | -5.3 | 0 | 0 | 0 | 109.3 | P1232 N1236 | P1232-N1234 PolarHBondContact O-N 2.79Å; P1232-N1234 VanDerWaalsContact O-N 3.08Å; N1234-N1236 VanDerWaalsContact C-N 3.29Å; N1234-N1236 PolarHBondContact O-N 3.02Å | ||
| 1235 | F | 27.8 | Very low | 35 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 61% | 0.605 | 68% | 0.677 | S | S | * | * | trans | -72.7 | 71 | -174.5 | -89.7 | -84.9 | 0 | 0 | 0 | 113.4 | F1233 | F1233-F1235 HydrophobicContact CB-CD2 4.07Å; F1233-F1235 HydrophobicContact CB-CE2 3.96Å; F1233-F1235 HydrophobicContact CD1-CE2 4.16Å; F1233-F1235 HydrophobicContact CG-CE2 4.32Å | ||
| 1236 | N | 25 | Very low | 36.9 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | trans | -90.7 | 2.1 | 172.1 | -84.9 | -21.2 | 0 | 0 | 0 | 113.9 | N1234 L1238 | N1234-N1236 VanDerWaalsContact C-N 3.29Å; N1234-N1236 PolarHBondContact O-N 3.02Å; N1236-L1238 PolarHBondContact O-N 3.23Å; N1236-L1238 VanDerWaalsContact O-N 3.15Å | ||
| 1237 | S | 29.2 | Very low | 38.8 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 24.8 | -174.4 | 62.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1238 | L | 36.2 | Very low | 40.8 | Very low | 89 Ų | 89 | 106.5 Ų | 106.5 | 47% | 0.466 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | 13.4 | 178.8 | -104.8 | 160.7 | 0 | 0 | 0 | 112.7 | N1236 T1240 V1241 | N1236-L1238 PolarHBondContact O-N 3.23Å; N1236-L1238 VanDerWaalsContact O-N 3.15Å; L1238-T1240 PolarHBondContact O-N 3.14Å; L1238-V1241 HydrophobicContact CD2-CG2 3.53Å; L1238-V1241 PolarHBondContact O-N 2.82Å |
| 1239 | S | 34.4 | Very low | 43.1 | Very low | 109 Ų | 109 | 101.1 Ų | 101.1 | 76% | 0.762 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 6.7 | -166.6 | 55.7 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1240 | T | 44.6 | Very low | 45.1 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 80% | 0.804 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | 8.5 | -178.1 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | L1238 N1242 | L1238-T1240 PolarHBondContact O-N 3.14Å; T1240-N1242 PolarHBondContact O-N 2.9Å |
| 1241 | V | 51.6 | Low | 47.4 | Very low | 41 Ų | 41 | 100.5 Ų | 100.5 | 25% | 0.248 | 53% | 0.53 | C | S | . | . | trans | -69.9 | 120.1 | 171.2 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | F1192 L1238 K1243 L1246 | F1192-V1241 HydrophobicContact CE1-CG2 3.96Å; F1192-V1241 HydrophobicContact CZ-CG1 4.28Å; F1192-V1241 HydrophobicContact CZ-CG2 4.32Å; L1238-V1241 HydrophobicContact CD2-CG2 3.53Å; L1238-V1241 PolarHBondContact O-N 2.82Å; V1241-K1243 PolarHBondContact O-N 2.82Å; V1241-L1246 HydrophobicContact CB-CD1 4.38Å; V1241-L1246 HydrophobicContact CG1-CD1 3.94Å; V1241-L1246 HydrophobicContact CG1-CG 3.81Å | ||
| 1242 | N | 55 | Low | 49.8 | Very low | 97 Ų | 97 | 95.7 Ų | 95.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | trans | -65 | 134 | -173.3 | -150.8 | 0.7 | 0 | 0 | 0 | 110.9 | T1240 E1244 T1245 L1246 | T1240-N1242 PolarHBondContact O-N 2.9Å; N1242-E1244 PolarHBondContact O-N 2.96Å; N1242-T1245 PolarHBondContact O-N 3.43Å; N1242-T1245 PolarHBondContact O-OG1 3.38Å; N1242-L1246 PolarHBondContact O-N 3.15Å | ||
| 1243 | K | 58 | Low | 52 | Low | 179 Ų | 179 | 92 Ų | 92 | 78% | 0.778 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54 | -35.1 | -176.9 | -90.3 | -177.6 | 174.1 | 176.3 | 0 | 112.7 | V1241 C1247 | V1241-K1243 PolarHBondContact O-N 2.82Å; K1243-C1247 PolarHBondContact O-N 3.26Å; K1243-C1247 VanDerWaalsContact O-N 3.12Å; K1243-C1247 PolarHBondContact O-SG 3.04Å |
| 1244 | E | 57.3 | Low | 54.4 | Low | 60 Ų | 60 | 87.3 Ų | 87.3 | 28% | 0.28 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -54.7 | -53.4 | 172 | -87.3 | 164.9 | -145.9 | 0 | 0 | 113.3 | M1072 Y1073 N1242 L1246 C1247 Q1248 | M1072-E1244 VanDerWaalsContact O-CD 3.27Å; Y1073-E1244 HydrophobicContact CE1-CB 4.33Å; Y1073-E1244 HydrophobicContact CE1-CG 4.48Å; Y1073-E1244 HydrophobicContact CE2-CG 4.32Å; Y1073-E1244 VanDerWaalsContact OH-CB 3.29Å; Y1073-E1244 WeakPolarHBondContact OH-CB 3.47Å; Y1073-E1244 PolarHBondContact OH-O 2.83Å; N1242-E1244 PolarHBondContact O-N 2.96Å; E1244-L1246 PolarHBondContact O-N 3.31Å; E1244-C1247 PolarHBondContact O-N 2.96Å; E1244-C1247 VanDerWaalsContact O-N 3.13Å; E1244-Q1248 PolarHBondContact O-N 2.77Å |
| 1245 | T | 64.5 | Low | 56.7 | Low | 17 Ų | 17 | 81.1 Ų | 81.1 | 10% | 0.104 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.5 | -36.9 | -176.8 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | N1242 C1247 Q1248 L1249 | N1242-T1245 PolarHBondContact O-N 3.43Å; N1242-T1245 PolarHBondContact O-OG1 3.38Å; T1245-C1247 VanDerWaalsContact C-N 3.32Å; T1245-C1247 PolarHBondContact O-N 2.91Å; T1245-Q1248 PolarHBondContact O-N 3.49Å; T1245-L1249 WeakPolarHBondContact O-CB 3.43Å; T1245-L1249 WeakPolarHBondContact O-CG 3.3Å; T1245-L1249 PolarHBondContact O-N 3.31Å |
| 1246 | L | 65 | Low | 58.9 | Low | 88 Ų | 88 | 74.5 Ų | 74.5 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 171.2 | -88 | 163.4 | 0 | 0 | 0 | 112.6 | V1241 N1242 E1244 R1250 | V1241-L1246 HydrophobicContact CB-CD1 4.38Å; V1241-L1246 HydrophobicContact CG1-CD1 3.94Å; V1241-L1246 HydrophobicContact CG1-CG 3.81Å; N1242-L1246 PolarHBondContact O-N 3.15Å; E1244-L1246 PolarHBondContact O-N 3.31Å; L1246-R1250 VanDerWaalsContact O-CB 3.28Å; L1246-R1250 WeakPolarHBondContact O-CB 3.17Å; L1246-R1250 PolarHBondContact O-N 2.81Å |
| 1247 | C | 64.6 | Low | 61.1 | Low | 50 Ų | 50 | 70 Ų | 70 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.9 | -38 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | M1070 K1243 E1244 T1245 R1250 Y1251 | M1070-C1247 HydrophobicContact CE-CB 3.77Å; M1070-C1247 HydrophobicContact SD-CB 3.58Å; M1070-C1247 VanDerWaalsContact SD-CB 3.58Å; K1243-C1247 PolarHBondContact O-N 3.26Å; K1243-C1247 VanDerWaalsContact O-N 3.12Å; K1243-C1247 PolarHBondContact O-SG 3.04Å; E1244-C1247 PolarHBondContact O-N 2.96Å; E1244-C1247 VanDerWaalsContact O-N 3.13Å; T1245-C1247 VanDerWaalsContact C-N 3.32Å; T1245-C1247 PolarHBondContact O-N 2.91Å; C1247-R1250 PolarHBondContact O-N 3.31Å; C1247-Y1251 WeakPolarHBondContact O-CB 3.29Å; C1247-Y1251 PolarHBondContact O-N 3.03Å |
| 1248 | Q | 67.7 | Low | 62.9 | Low | 33 Ų | 33 | 69.1 Ų | 69.1 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 171.3 | -87.1 | -179.5 | -16.2 | 0 | 0 | 112.2 | Y1073 F1190 E1244 T1245 R1250 Y1251 L1252 | Y1073-Q1248 HydrophobicContact CE2-CG 4.29Å; Y1073-Q1248 VanDerWaalsContact OH-CG 3.24Å; Y1073-Q1248 WeakPolarHBondContact OH-CG 3.3Å; Y1073-Q1248 PolarHBondContact OH-NE2 3.31Å; Y1073-Q1248 PolarHBondContact OH-OE1 3.37Å; F1190-Q1248 HydrophobicContact CE1-CB 4.23Å; E1244-Q1248 PolarHBondContact O-N 2.77Å; T1245-Q1248 PolarHBondContact O-N 3.49Å; Q1248-R1250 PolarHBondContact O-N 2.67Å; Q1248-Y1251 PolarHBondContact O-N 2.95Å; Q1248-L1252 WeakPolarHBondContact O-CB 3.5Å; Q1248-L1252 PolarHBondContact O-N 3.19Å |
| 1249 | L | 72.1 | Confident | 64.2 | Low | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.4 | -74.3 | 163.6 | 0 | 0 | 0 | 111.3 | F1190 F1192 T1245 Y1251 L1252 L1253 I1268 | F1190-L1249 HydrophobicContact CD1-CD1 4.16Å; F1190-L1249 HydrophobicContact CD1-CD2 3.74Å; F1190-L1249 HydrophobicContact CD1-CG 3.7Å; F1190-L1249 HydrophobicContact CD2-CD2 4.05Å; F1190-L1249 HydrophobicContact CE1-CD2 3.66Å; F1190-L1249 HydrophobicContact CE1-CG 3.73Å; F1190-L1249 HydrophobicContact CE2-CD2 3.98Å; F1190-L1249 HydrophobicContact CG-CD2 3.94Å; F1190-L1249 HydrophobicContact CG-CG 4.29Å; F1190-L1249 HydrophobicContact CZ-CD2 3.79Å; F1190-L1249 HydrophobicContact CZ-CG 4.35Å; F1192-L1249 HydrophobicContact CE2-CD1 4.15Å; F1192-L1249 HydrophobicContact CZ-CD1 4.46Å; T1245-L1249 WeakPolarHBondContact O-CB 3.43Å; T1245-L1249 WeakPolarHBondContact O-CG 3.3Å; T1245-L1249 PolarHBondContact O-N 3.31Å; L1249-Y1251 PolarHBondContact O-N 3.22Å; L1249-L1252 PolarHBondContact O-N 2.85Å; L1249-L1253 VanDerWaalsContact O-CB 3.27Å; L1249-L1253 WeakPolarHBondContact O-CB 3.32Å; L1249-L1253 PolarHBondContact O-N 2.86Å; L1249-I1268 HydrophobicContact CD2-CG2 4.1Å |
| 1250 | R | 68.3 | Low | 65.9 | Low | 202 Ų | 202 | 68.1 Ų | 68.1 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.5 | -35 | 178.8 | -162.2 | 176.6 | -168.6 | -165.9 | 3.8 | 112.8 | L1246 C1247 Q1248 N1254 | L1246-R1250 VanDerWaalsContact O-CB 3.28Å; L1246-R1250 WeakPolarHBondContact O-CB 3.17Å; L1246-R1250 PolarHBondContact O-N 2.81Å; C1247-R1250 PolarHBondContact O-N 3.31Å; Q1248-R1250 PolarHBondContact O-N 2.67Å; R1250-N1254 WeakPolarHBondContact O-CB 3.37Å; R1250-N1254 PolarHBondContact O-N 2.89Å; R1250-N1254 VanDerWaalsContact O-N 3.17Å |
| 1251 | Y | 73.8 | Confident | 67.2 | Low | 93 Ų | 93 | 62.1 Ų | 62.1 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -50.4 | 172.2 | 175.9 | -100.9 | 0 | 0 | 0 | 111.5 | N1160 L1162 C1247 Q1248 L1249 L1253 N1254 Q1255 | N1160-Y1251 PolarHBondContact ND2-OH 2.68Å; N1160-Y1251 PolarHBondContact OD1-OH 3.04Å; L1162-Y1251 HydrophobicContact CD2-CE1 4.31Å; C1247-Y1251 WeakPolarHBondContact O-CB 3.29Å; C1247-Y1251 PolarHBondContact O-N 3.03Å; Q1248-Y1251 PolarHBondContact O-N 2.95Å; L1249-Y1251 PolarHBondContact O-N 3.22Å; Y1251-L1253 PolarHBondContact O-N 2.8Å; Y1251-N1254 WeakPolarHBondContact O-CB 3.48Å; Y1251-N1254 PolarHBondContact O-N 3.06Å; Y1251-N1254 VanDerWaalsContact O-N 3.14Å; Y1251-Q1255 HydrophobicContact CD1-CG 4.3Å; Y1251-Q1255 HydrophobicContact CD2-CG 4.43Å; Y1251-Q1255 HydrophobicContact CE1-CG 3.89Å; Y1251-Q1255 HydrophobicContact CE2-CG 4.02Å; Y1251-Q1255 WeakPolarHBondContact O-CG 3.42Å; Y1251-Q1255 PolarHBondContact O-N 3.41Å |
| 1252 | L | 74.4 | Confident | 68.3 | Low | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 177.5 | -100 | 163.1 | 0 | 0 | 0 | 111.8 | L1136 F1190 Q1248 L1249 N1254 Q1255 L1256 I1268 | L1136-L1252 HydrophobicContact CB-CD1 4.1Å; L1136-L1252 HydrophobicContact CB-CD2 4.46Å; F1190-L1252 HydrophobicContact CZ-CD1 3.82Å; Q1248-L1252 WeakPolarHBondContact O-CB 3.5Å; Q1248-L1252 PolarHBondContact O-N 3.19Å; L1249-L1252 PolarHBondContact O-N 2.85Å; L1252-N1254 VanDerWaalsContact C-N 3.3Å; L1252-N1254 PolarHBondContact O-N 3.31Å; L1252-Q1255 PolarHBondContact O-N 3.16Å; L1252-L1256 HydrophobicContact CD2-CD1 4.15Å; L1252-L1256 WeakPolarHBondContact O-CB 3.39Å; L1252-L1256 WeakPolarHBondContact O-CD1 3.32Å; L1252-L1256 VanDerWaalsContact O-CG 3.29Å; L1252-L1256 WeakPolarHBondContact O-CG 3.37Å; L1252-L1256 PolarHBondContact O-N 3.33Å; L1252-I1268 HydrophobicContact CB-CD1 4.43Å |
| 1253 | L | 75.1 | Confident | 69.4 | Low | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.7 | -45.9 | 174.9 | -170 | 75.8 | 0 | 0 | 0 | 111 | L1249 Y1251 L1256 T1257 I1265 I1268 N1269 | L1249-L1253 VanDerWaalsContact O-CB 3.27Å; L1249-L1253 WeakPolarHBondContact O-CB 3.32Å; L1249-L1253 PolarHBondContact O-N 2.86Å; Y1251-L1253 PolarHBondContact O-N 2.8Å; L1253-L1256 PolarHBondContact O-N 2.96Å; L1253-T1257 WeakPolarHBondContact O-CG2 3.27Å; L1253-T1257 PolarHBondContact O-N 2.56Å; L1253-T1257 PolarHBondContact O-OG1 3.18Å; L1253-I1265 HydrophobicContact CD1-CB 4.43Å; L1253-I1265 HydrophobicContact CD1-CG2 3.88Å; L1253-I1268 HydrophobicContact CB-CG2 4.34Å; L1253-I1268 HydrophobicContact CD1-CB 4.07Å; L1253-I1268 HydrophobicContact CD1-CG2 3.85Å; L1253-N1269 WeakPolarHBondContact CD1-OD1 3.49Å |
| 1254 | N | 74.3 | Confident | 70.4 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -42.5 | 179.7 | -160.2 | 21.2 | 0 | 0 | 0 | 112 | R1250 Y1251 L1252 T1257 L1258 | R1250-N1254 WeakPolarHBondContact O-CB 3.37Å; R1250-N1254 PolarHBondContact O-N 2.89Å; R1250-N1254 VanDerWaalsContact O-N 3.17Å; Y1251-N1254 WeakPolarHBondContact O-CB 3.48Å; Y1251-N1254 PolarHBondContact O-N 3.06Å; Y1251-N1254 VanDerWaalsContact O-N 3.14Å; L1252-N1254 VanDerWaalsContact C-N 3.3Å; L1252-N1254 PolarHBondContact O-N 3.31Å; N1254-T1257 WeakPolarHBondContact CA-OG1 3.32Å; N1254-T1257 PolarHBondContact O-OG1 3.37Å; N1254-L1258 WeakPolarHBondContact O-CB 3.35Å; N1254-L1258 VanDerWaalsContact O-CG 3.28Å; N1254-L1258 WeakPolarHBondContact O-CG 3.32Å; N1254-L1258 PolarHBondContact O-N 3.47Å |
| 1255 | Q | 70.9 | Confident | 71.4 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.4 | -58.5 | -47.8 | -50.8 | 0 | 0 | 112.4 | N1160 L1162 L1166 Y1251 L1252 L1258 A1259 | N1160-Q1255 PolarHBondContact ND2-NE2 2.86Å; N1160-Q1255 PolarHBondContact ND2-OE1 3.43Å; L1162-Q1255 HydrophobicContact CD2-CB 4.15Å; L1162-Q1255 HydrophobicContact CD2-CG 4.11Å; L1166-Q1255 HydrophobicContact CD1-CB 4.29Å; Y1251-Q1255 HydrophobicContact CD1-CG 4.3Å; Y1251-Q1255 HydrophobicContact CD2-CG 4.43Å; Y1251-Q1255 HydrophobicContact CE1-CG 3.89Å; Y1251-Q1255 HydrophobicContact CE2-CG 4.02Å; Y1251-Q1255 WeakPolarHBondContact O-CG 3.42Å; Y1251-Q1255 PolarHBondContact O-N 3.41Å; L1252-Q1255 PolarHBondContact O-N 3.16Å; Q1255-L1258 PolarHBondContact O-N 3.12Å; Q1255-A1259 VanDerWaalsContact O-CB 3.32Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.34Å; Q1255-A1259 PolarHBondContact O-N 3.18Å |
| 1256 | L | 74.1 | Confident | 72 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.1 | -34.8 | 178.4 | -72.7 | 163.4 | 0 | 0 | 0 | 112.6 | L1136 L1166 L1252 L1253 A1259 R1260 S1261 W1264 I1265 I1268 | L1136-L1256 HydrophobicContact CD1-CD1 4.33Å; L1166-L1256 HydrophobicContact CD1-CD2 4.33Å; L1166-L1256 HydrophobicContact CD2-CD2 4.06Å; L1252-L1256 HydrophobicContact CD2-CD1 4.15Å; L1252-L1256 WeakPolarHBondContact O-CB 3.39Å; L1252-L1256 WeakPolarHBondContact O-CD1 3.32Å; L1252-L1256 VanDerWaalsContact O-CG 3.29Å; L1252-L1256 WeakPolarHBondContact O-CG 3.37Å; L1252-L1256 PolarHBondContact O-N 3.33Å; L1253-L1256 PolarHBondContact O-N 2.96Å; L1256-A1259 CarbonylContact O-C 3.54Å; L1256-A1259 PolarHBondContact O-N 3.37Å; L1256-R1260 PolarHBondContact O-N 3.17Å; L1256-R1260 VanDerWaalsContact O-N 3.09Å; L1256-S1261 PolarHBondContact O-N 3.18Å; L1256-W1264 HydrophobicContact CD1-CB 3.84Å; L1256-W1264 HydrophobicContact CD2-CB 4.26Å; L1256-I1265 HydrophobicContact CB-CG1 4.11Å; L1256-I1268 HydrophobicContact CD1-CD1 3.48Å; L1256-I1268 VanDerWaalsContact CD1-CD1 3.48Å |
| 1257 | T | 72.1 | Confident | 72.9 | Confident | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 168.8 | 47.4 | 0 | 0 | 0 | 0 | 111.7 | L1253 N1254 A1259 R1260 I1265 M1284 W1288 | L1253-T1257 WeakPolarHBondContact O-CG2 3.27Å; L1253-T1257 PolarHBondContact O-N 2.56Å; L1253-T1257 PolarHBondContact O-OG1 3.18Å; N1254-T1257 WeakPolarHBondContact CA-OG1 3.32Å; N1254-T1257 PolarHBondContact O-OG1 3.37Å; T1257-A1259 PolarHBondContact O-N 3.33Å; T1257-R1260 PolarHBondContact O-N 3.23Å; T1257-R1260 VanDerWaalsContact O-N 3.13Å; T1257-I1265 HydrophobicContact CG2-CD1 3.79Å; T1257-I1265 HydrophobicContact CG2-CG1 3.98Å; T1257-I1265 HydrophobicContact CG2-CG2 4.05Å; T1257-M1284 HydrophobicContact CG2-CE 3.99Å; T1257-W1288 WeakPolarHBondContact O-CH2 3.37Å |
| 1258 | L | 66.2 | Low | 73.6 | Confident | 81 Ų | 81 | 40.7 Ų | 40.7 | 42% | 0.424 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64 | -30.5 | 174.6 | -74.8 | 169 | 0 | 0 | 0 | 112.6 | Q1163 N1254 Q1255 | Q1163-L1258 HydrophobicContact CG-CB 4.13Å; N1254-L1258 WeakPolarHBondContact O-CB 3.35Å; N1254-L1258 VanDerWaalsContact O-CG 3.28Å; N1254-L1258 WeakPolarHBondContact O-CG 3.32Å; N1254-L1258 PolarHBondContact O-N 3.47Å; Q1255-L1258 PolarHBondContact O-N 3.12Å |
| 1259 | A | 65.3 | Low | 74.2 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1166 N1167 Q1255 L1256 T1257 S1261 | L1166-A1259 HydrophobicContact CB-CB 3.51Å; L1166-A1259 HydrophobicContact CD1-CB 4.13Å; L1166-A1259 HydrophobicContact CG-CB 4.35Å; N1167-A1259 WeakPolarHBondContact OD1-CA 3.33Å; Q1255-A1259 VanDerWaalsContact O-CB 3.32Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.34Å; Q1255-A1259 PolarHBondContact O-N 3.18Å; L1256-A1259 CarbonylContact O-C 3.54Å; L1256-A1259 PolarHBondContact O-N 3.37Å; T1257-A1259 PolarHBondContact O-N 3.33Å; A1259-S1261 PolarHBondContact O-N 3.34Å |
| 1260 | R | 68.9 | Low | 74.6 | Confident | 176 Ų | 176 | 39.5 Ų | 39.5 | 66% | 0.664 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 21.3 | 177.5 | -56.8 | 178.5 | 176.4 | -180 | -2.2 | 115.6 | L1256 T1257 K1262 W1288 | L1256-R1260 PolarHBondContact O-N 3.17Å; L1256-R1260 VanDerWaalsContact O-N 3.09Å; T1257-R1260 PolarHBondContact O-N 3.23Å; T1257-R1260 VanDerWaalsContact O-N 3.13Å; R1260-K1262 WeakPolarHBondContact O-CG 3.45Å; R1260-K1262 PolarHBondContact O-N 3.22Å; R1260-W1288 HydrophobicContact CB-CE3 4.36Å; R1260-W1288 HydrophobicContact CB-CZ3 4.21Å; R1260-W1288 HydrophobicContact CG-CZ3 4.41Å |
| 1261 | S | 71.6 | Confident | 75.1 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | trans | -81.5 | 85.9 | -173.2 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | L1256 A1259 E1263 I1265 | L1256-S1261 PolarHBondContact O-N 3.18Å; A1259-S1261 PolarHBondContact O-N 3.34Å; S1261-E1263 VanDerWaalsContact C-N 3.26Å; S1261-E1263 PolarHBondContact O-N 2.8Å; S1261-E1263 VanDerWaalsContact O-N 3.14Å; S1261-I1265 WeakPolarHBondContact O-CD1 3.37Å; S1261-I1265 VanDerWaalsContact O-CG1 3.24Å; S1261-I1265 WeakPolarHBondContact O-CG1 3.32Å; S1261-I1265 PolarHBondContact O-N 3.46Å | ||
| 1262 | K | 75 | Confident | 75.1 | Confident | 56 Ų | 56 | 28 Ų | 28 | 24% | 0.243 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.9 | -37.6 | -168.1 | -53.5 | -178.2 | -175.1 | -176.2 | 0 | 114.5 | R1260 C1266 A1285 W1288 T1289 | R1260-K1262 WeakPolarHBondContact O-CG 3.45Å; R1260-K1262 PolarHBondContact O-N 3.22Å; K1262-C1266 PolarHBondContact O-SG 3.25Å; K1262-C1266 VanDerWaalsContact O-SG 3.36Å; K1262-A1285 HydrophobicContact CB-CB 4.03Å; K1262-A1285 HydrophobicContact CG-CB 4.43Å; K1262-W1288 VanDerWaalsContact NZ-C 3.27Å; K1262-W1288 PolarHBondContact NZ-O 2.87Å; K1262-T1289 HydrophobicContact CD-CG2 4.35Å |
| 1263 | E | 78.1 | Confident | 75.2 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -79.9 | -47.6 | -168 | -65.2 | 159.7 | 136.7 | 0 | 0 | 112 | Q1174 P1175 W1179 S1261 I1265 C1266 L1267 L1311 | Q1174-E1263 PolarHBondContact NE2-OE1 2.81Å; Q1174-E1263 PolarHBondContact NE2-OE2 3.29Å; P1175-E1263 HydrophobicContact CG-CB 4.36Å; W1179-E1263 HydrophobicContact CH2-CB 3.87Å; W1179-E1263 HydrophobicContact CH2-CG 3.92Å; W1179-E1263 HydrophobicContact CZ2-CG 4.47Å; S1261-E1263 VanDerWaalsContact C-N 3.26Å; S1261-E1263 PolarHBondContact O-N 2.8Å; S1261-E1263 VanDerWaalsContact O-N 3.14Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; E1263-I1265 PolarHBondContact O-N 3.34Å; E1263-C1266 PolarHBondContact O-N 3.24Å; E1263-L1267 PolarHBondContact O-N 2.88Å; E1263-L1267 VanDerWaalsContact O-N 3.12Å; E1263-L1311 HydrophobicContact CB-CD1 4.34Å; E1263-L1311 HydrophobicContact CG-CD1 3.94Å |
| 1264 | W | 79.2 | Confident | 75.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68 | -31.2 | 178.5 | -62 | 112.4 | 0 | 0 | 0 | 113.4 | F1131 L1136 I1173 P1175 V1182 L1186 L1256 C1266 L1267 I1268 | F1131-W1264 VanDerWaalsContact O-CH2 3.29Å; F1131-W1264 WeakPolarHBondContact O-CH2 3.47Å; F1131-W1264 WeakPolarHBondContact O-CZ2 3.37Å; L1136-W1264 HydrophobicContact CD1-CD2 4.36Å; L1136-W1264 HydrophobicContact CD1-CE3 4Å; L1136-W1264 HydrophobicContact CD2-CD2 4Å; L1136-W1264 HydrophobicContact CD2-CE3 4.11Å; L1136-W1264 HydrophobicContact CD2-CG 4.46Å; L1136-W1264 HydrophobicContact CD2-CZ2 4.48Å; L1136-W1264 HydrophobicContact CD2-CZ3 4.39Å; L1136-W1264 HydrophobicContact CG-CE3 4.32Å; I1173-W1264 PolarHBondContact O-NE1 2.91Å; P1175-W1264 HydrophobicContact CB-CH2 3.97Å; P1175-W1264 HydrophobicContact CB-CZ2 3.9Å; V1182-W1264 HydrophobicContact CG1-CH2 3.36Å; V1182-W1264 HydrophobicContact CG1-CZ3 3.61Å; L1186-W1264 HydrophobicContact CD1-CE3 3.71Å; L1186-W1264 HydrophobicContact CD1-CZ3 3.54Å; L1256-W1264 HydrophobicContact CD1-CB 3.84Å; L1256-W1264 HydrophobicContact CD2-CB 4.26Å; W1264-C1266 VanDerWaalsContact C-N 3.33Å; W1264-C1266 PolarHBondContact O-N 2.96Å; W1264-L1267 HydrophobicContact CD2-CD1 4.45Å; W1264-L1267 HydrophobicContact CE3-CD1 3.64Å; W1264-L1267 HydrophobicContact CZ3-CD1 3.8Å; W1264-L1267 PolarHBondContact O-N 3.38Å; W1264-I1268 WeakPolarHBondContact O-CB 3.42Å; W1264-I1268 VanDerWaalsContact O-CG1 3.31Å; W1264-I1268 WeakPolarHBondContact O-CG1 3.43Å; W1264-I1268 PolarHBondContact O-N 2.97Å |
| 1265 | I | 77.7 | Confident | 75 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.1 | -59.4 | 158.5 | 0 | 0 | 0 | 109.9 | L1253 L1256 T1257 S1261 E1263 N1269 W1288 | L1253-I1265 HydrophobicContact CD1-CB 4.43Å; L1253-I1265 HydrophobicContact CD1-CG2 3.88Å; L1256-I1265 HydrophobicContact CB-CG1 4.11Å; T1257-I1265 HydrophobicContact CG2-CD1 3.79Å; T1257-I1265 HydrophobicContact CG2-CG1 3.98Å; T1257-I1265 HydrophobicContact CG2-CG2 4.05Å; S1261-I1265 WeakPolarHBondContact O-CD1 3.37Å; S1261-I1265 VanDerWaalsContact O-CG1 3.24Å; S1261-I1265 WeakPolarHBondContact O-CG1 3.32Å; S1261-I1265 PolarHBondContact O-N 3.46Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; E1263-I1265 PolarHBondContact O-N 3.34Å; I1265-N1269 WeakPolarHBondContact O-CB 3.4Å; I1265-N1269 PolarHBondContact O-N 2.9Å; I1265-N1269 VanDerWaalsContact O-N 3.09Å; I1265-W1288 HydrophobicContact CD1-CZ3 4.16Å |
| 1266 | C | 78.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.6 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | K1262 E1263 W1264 L1270 F1278 L1311 | K1262-C1266 PolarHBondContact O-SG 3.25Å; K1262-C1266 VanDerWaalsContact O-SG 3.36Å; E1263-C1266 PolarHBondContact O-N 3.24Å; W1264-C1266 VanDerWaalsContact C-N 3.33Å; W1264-C1266 PolarHBondContact O-N 2.96Å; C1266-L1270 WeakPolarHBondContact O-CB 3.12Å; C1266-L1270 PolarHBondContact O-N 2.91Å; C1266-F1278 HydrophobicContact CB-CE2 4.38Å; C1266-L1311 HydrophobicContact CB-CD1 4.32Å |
| 1267 | L | 82.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 178.2 | -69.2 | 169.8 | 0 | 0 | 0 | 113 | W1179 F1183 E1263 W1264 L1270 I1271 I1318 | W1179-L1267 HydrophobicContact CE3-CD1 4.16Å; W1179-L1267 HydrophobicContact CE3-CD2 4.09Å; W1179-L1267 HydrophobicContact CE3-CG 4.49Å; W1179-L1267 HydrophobicContact CZ3-CD1 3.82Å; W1179-L1267 HydrophobicContact CZ3-CD2 4.06Å; W1179-L1267 HydrophobicContact CZ3-CG 4.04Å; F1183-L1267 HydrophobicContact CD2-CD2 3.87Å; E1263-L1267 PolarHBondContact O-N 2.88Å; E1263-L1267 VanDerWaalsContact O-N 3.12Å; W1264-L1267 HydrophobicContact CD2-CD1 4.45Å; W1264-L1267 HydrophobicContact CE3-CD1 3.64Å; W1264-L1267 HydrophobicContact CZ3-CD1 3.8Å; W1264-L1267 PolarHBondContact O-N 3.38Å; L1267-L1270 WeakPolarHBondContact O-CB 3.34Å; L1267-L1270 PolarHBondContact O-N 3.2Å; L1267-I1271 PolarHBondContact O-N 3.17Å; L1267-I1318 HydrophobicContact CD2-CD1 3.63Å |
| 1268 | I | 79.8 | Confident | 75.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 177.3 | -69.6 | 167.8 | 0 | 0 | 0 | 110.9 | L1136 L1249 L1252 L1253 L1256 W1264 L1270 I1271 C1272 | L1136-I1268 HydrophobicContact CD1-CD1 3.98Å; L1136-I1268 HydrophobicContact CD1-CG1 4.35Å; L1249-I1268 HydrophobicContact CD2-CG2 4.1Å; L1252-I1268 HydrophobicContact CB-CD1 4.43Å; L1253-I1268 HydrophobicContact CB-CG2 4.34Å; L1253-I1268 HydrophobicContact CD1-CB 4.07Å; L1253-I1268 HydrophobicContact CD1-CG2 3.85Å; L1256-I1268 HydrophobicContact CD1-CD1 3.48Å; L1256-I1268 VanDerWaalsContact CD1-CD1 3.48Å; W1264-I1268 WeakPolarHBondContact O-CB 3.42Å; W1264-I1268 VanDerWaalsContact O-CG1 3.31Å; W1264-I1268 WeakPolarHBondContact O-CG1 3.43Å; W1264-I1268 PolarHBondContact O-N 2.97Å; I1268-L1270 VanDerWaalsContact C-N 3.28Å; I1268-L1270 PolarHBondContact O-N 3.41Å; I1268-I1271 PolarHBondContact O-N 2.78Å; I1268-C1272 PolarHBondContact O-N 2.88Å; I1268-C1272 PolarHBondContact O-SG 2.9Å |
| 1269 | N | 79.8 | Confident | 76.2 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -30.7 | 176.3 | -74 | -12.1 | 0 | 0 | 0 | 112.4 | L1253 I1265 C1272 L1273 A1277 F1278 S1281 | L1253-N1269 WeakPolarHBondContact CD1-OD1 3.49Å; I1265-N1269 WeakPolarHBondContact O-CB 3.4Å; I1265-N1269 PolarHBondContact O-N 2.9Å; I1265-N1269 VanDerWaalsContact O-N 3.09Å; N1269-C1272 PolarHBondContact O-N 3.3Å; N1269-L1273 PolarHBondContact O-N 2.85Å; N1269-A1277 PolarHBondContact ND2-O 2.79Å; N1269-F1278 HydrophobicContact CB-CB 4.29Å; N1269-F1278 HydrophobicContact CB-CD2 4.28Å; N1269-S1281 VanDerWaalsContact ND2-CB 3.29Å; N1269-S1281 WeakPolarHBondContact ND2-CB 3.25Å; N1269-S1281 PolarHBondContact ND2-OG 2.95Å |
| 1270 | L | 81.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 174.1 | -175.5 | 61.1 | 0 | 0 | 0 | 111.8 | F1183 C1266 L1267 I1268 C1272 L1273 F1278 L1315 I1318 Y1329 F1332 L1333 | F1183-L1270 HydrophobicContact CD2-CD2 4.46Å; F1183-L1270 HydrophobicContact CE1-CD2 4.47Å; F1183-L1270 HydrophobicContact CE2-CB 4.26Å; F1183-L1270 HydrophobicContact CE2-CD2 3.76Å; F1183-L1270 HydrophobicContact CE2-CG 4.01Å; F1183-L1270 HydrophobicContact CZ-CD2 3.77Å; F1183-L1270 HydrophobicContact CZ-CG 3.9Å; C1266-L1270 WeakPolarHBondContact O-CB 3.12Å; C1266-L1270 PolarHBondContact O-N 2.91Å; L1267-L1270 WeakPolarHBondContact O-CB 3.34Å; L1267-L1270 PolarHBondContact O-N 3.2Å; I1268-L1270 VanDerWaalsContact C-N 3.28Å; I1268-L1270 PolarHBondContact O-N 3.41Å; L1270-C1272 VanDerWaalsContact C-N 3.25Å; L1270-C1272 PolarHBondContact O-N 2.89Å; L1270-L1273 PolarHBondContact O-N 2.96Å; L1270-F1278 HydrophobicContact CB-CD2 4.19Å; L1270-F1278 HydrophobicContact CB-CE2 4.01Å; L1270-F1278 HydrophobicContact CD1-CE2 4.21Å; L1270-F1278 HydrophobicContact CD1-CZ 4.33Å; L1270-L1315 HydrophobicContact CD2-CD2 4.36Å; L1270-I1318 HydrophobicContact CD2-CG2 4.06Å; L1270-Y1329 HydrophobicContact CG-CD1 4.45Å; L1270-Y1329 WeakPolarHBondContact O-CE1 3.27Å; L1270-F1332 HydrophobicContact CD1-CD1 3.69Å; L1270-F1332 HydrophobicContact CD1-CE1 3.76Å; L1270-L1333 HydrophobicContact CD1-CD1 4.39Å; L1270-L1333 HydrophobicContact CD1-CD2 3.69Å; L1270-L1333 HydrophobicContact CD1-CG 3.92Å |
| 1271 | I | 78.9 | Confident | 77 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 174.3 | -66 | -174.5 | 0 | 0 | 0 | 111.8 | F1183 L1186 L1187 F1192 L1267 I1268 L1273 | F1183-I1271 HydrophobicContact CD2-CG1 4.41Å; F1183-I1271 HydrophobicContact CE2-CD1 4.22Å; F1183-I1271 HydrophobicContact CE2-CG1 3.54Å; F1183-I1271 HydrophobicContact CZ-CG1 4Å; L1186-I1271 HydrophobicContact CB-CD1 4.49Å; L1186-I1271 HydrophobicContact CD2-CD1 3.35Å; L1186-I1271 HydrophobicContact CG-CD1 4.48Å; L1187-I1271 HydrophobicContact CD2-CD1 3.88Å; L1187-I1271 HydrophobicContact CD2-CG1 3.86Å; L1187-I1271 HydrophobicContact CD2-CG2 4.21Å; L1187-I1271 HydrophobicContact CG-CD1 4.14Å; L1187-I1271 HydrophobicContact CG-CG1 4.43Å; F1192-I1271 HydrophobicContact CD1-CG2 4.28Å; F1192-I1271 HydrophobicContact CD2-CG2 3.67Å; F1192-I1271 HydrophobicContact CE1-CG2 4.09Å; F1192-I1271 HydrophobicContact CE2-CG2 3.45Å; F1192-I1271 VanDerWaalsContact CE2-CG2 3.45Å; F1192-I1271 HydrophobicContact CG-CG2 4.09Å; F1192-I1271 HydrophobicContact CZ-CG2 3.67Å; L1267-I1271 PolarHBondContact O-N 3.17Å; I1268-I1271 PolarHBondContact O-N 2.78Å; I1271-L1273 PolarHBondContact O-N 3.1Å |
| 1272 | C | 73.7 | Confident | 77.2 | Confident | 51 Ų | 51 | 32.7 Ų | 32.7 | 35% | 0.345 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.3 | -179.6 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | I1268 N1269 L1270 D1274 | I1268-C1272 PolarHBondContact O-N 2.88Å; I1268-C1272 PolarHBondContact O-SG 2.9Å; N1269-C1272 PolarHBondContact O-N 3.3Å; L1270-C1272 VanDerWaalsContact C-N 3.25Å; L1270-C1272 PolarHBondContact O-N 2.89Å; C1272-D1274 PolarHBondContact O-N 2.98Å |
| 1273 | L | 75.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 31.9 Ų | 31.9 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 23.1 | -177.2 | -67.6 | 171.1 | 0 | 0 | 0 | 114.5 | N1269 L1270 I1271 R1275 Y1329 F1332 | N1269-L1273 PolarHBondContact O-N 2.85Å; L1270-L1273 PolarHBondContact O-N 2.96Å; I1271-L1273 PolarHBondContact O-N 3.1Å; L1273-R1275 PolarHBondContact O-N 2.85Å; L1273-Y1329 HydrophobicContact CD1-CE1 4.28Å; L1273-Y1329 HydrophobicContact CD2-CD1 3.52Å; L1273-Y1329 HydrophobicContact CD2-CE1 3.6Å; L1273-Y1329 HydrophobicContact CG-CD1 4.26Å; L1273-Y1329 HydrophobicContact CG-CE1 3.81Å; L1273-F1332 VanDerWaalsContact C-CE2 3.43Å; L1273-F1332 HydrophobicContact CB-CD2 4.43Å; L1273-F1332 HydrophobicContact CB-CE2 4.46Å; L1273-F1332 HydrophobicContact CD2-CB 3.71Å; L1273-F1332 HydrophobicContact CD2-CD1 4.06Å; L1273-F1332 HydrophobicContact CD2-CD2 3.83Å; L1273-F1332 HydrophobicContact CD2-CE2 4.47Å; L1273-F1332 HydrophobicContact CD2-CG 3.58Å; L1273-F1332 WeakPolarHBondContact O-CE2 3.46Å |
| 1274 | D | 73.2 | Confident | 77 | Confident | 76 Ų | 76 | 34.4 Ų | 34.4 | 41% | 0.406 | 17% | 0.173 | S | C | . | . | trans | -88.6 | 104.5 | 175.5 | -179.8 | -17.1 | 0 | 0 | 0 | 109.3 | C1272 D1276 A1277 F1278 | C1272-D1274 PolarHBondContact O-N 2.98Å; D1274-D1276 VanDerWaalsContact C-N 3.28Å; D1274-D1276 PolarHBondContact O-N 2.93Å; D1274-D1276 WeakPolarHBondContact OD1-CA 3.05Å; D1274-D1276 PolarHBondContact OD1-N 2.87Å; D1274-A1277 HydrophobicContact CB-CB 3.86Å; D1274-A1277 VanDerWaalsContact CG-CB 3.42Å; D1274-A1277 PolarHBondContact O-N 3.22Å; D1274-A1277 PolarHBondContact OD1-N 2.6Å; D1274-A1277 WeakPolarHBondContact OD2-CB 3.32Å; D1274-F1278 WeakPolarHBondContact O-CB 3.37Å; D1274-F1278 PolarHBondContact O-N 3.11Å | ||
| 1275 | R | 73.5 | Confident | 76.6 | Confident | 98 Ų | 98 | 34.8 Ų | 34.8 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 179.9 | 179.1 | 169.1 | 177.1 | 151.8 | -7.6 | 112.5 | L1273 L1279 F1332 S1335 H1339 | L1273-R1275 PolarHBondContact O-N 2.85Å; R1275-L1279 HydrophobicContact CG-CD1 3.89Å; R1275-L1279 VanDerWaalsContact O-CB 3.29Å; R1275-L1279 WeakPolarHBondContact O-CB 3.2Å; R1275-L1279 WeakPolarHBondContact O-CD1 3.34Å; R1275-L1279 WeakPolarHBondContact O-CG 3.06Å; R1275-L1279 PolarHBondContact O-N 2.87Å; R1275-F1332 HydrophobicContact CB-CE2 3.97Å; R1275-F1332 HydrophobicContact CB-CZ 4.35Å; R1275-S1335 VanDerWaalsContact CZ-O 3.25Å; R1275-S1335 PolarHBondContact NH1-O 2.86Å; R1275-S1335 PolarHBondContact NH1-OG 2.97Å; R1275-S1335 PolarHBondContact NH2-O 2.87Å; R1275-S1335 VanDerWaalsContact NH2-O 3.13Å; R1275-H1339 PolarHBondContact NH2-CD2 3.13Å; R1275-H1339 PolarHBondContact NH2-NE2 3.36Å |
| 1276 | D | 72.9 | Confident | 76.3 | Confident | 90 Ų | 90 | 34.5 Ų | 34.5 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -76.7 | -43.3 | -177.1 | -105.6 | 38.6 | 0 | 0 | 0 | 111 | D1274 R1280 | D1274-D1276 VanDerWaalsContact C-N 3.28Å; D1274-D1276 PolarHBondContact O-N 2.93Å; D1274-D1276 WeakPolarHBondContact OD1-CA 3.05Å; D1274-D1276 PolarHBondContact OD1-N 2.87Å; D1276-R1280 VanDerWaalsContact O-CB 3.27Å; D1276-R1280 WeakPolarHBondContact O-CB 3.34Å; D1276-R1280 WeakPolarHBondContact O-CD 3.31Å; D1276-R1280 WeakPolarHBondContact O-CG 3.44Å; D1276-R1280 PolarHBondContact O-N 2.84Å; D1276-R1280 IonicContact OD2-CZ 2.75Å; D1276-R1280 IonicContact OD2-NE 4Å; D1276-R1280 IonicContact OD2-NH2 3.79Å; D1276-R1280 PolarHBondContact OD2-NH2 3.32Å |
| 1277 | A | 72.6 | Confident | 75.7 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 21% | 0.207 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1269 D1274 R1280 S1281 | N1269-A1277 PolarHBondContact ND2-O 2.79Å; D1274-A1277 HydrophobicContact CB-CB 3.86Å; D1274-A1277 VanDerWaalsContact CG-CB 3.42Å; D1274-A1277 PolarHBondContact O-N 3.22Å; D1274-A1277 PolarHBondContact OD1-N 2.6Å; D1274-A1277 WeakPolarHBondContact OD2-CB 3.32Å; A1277-R1280 PolarHBondContact O-N 2.94Å; A1277-S1281 PolarHBondContact O-N 2.68Å; A1277-S1281 PolarHBondContact O-OG 2.97Å; A1277-S1281 VanDerWaalsContact O-OG 3.06Å |
| 1278 | F | 82.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -51.7 | 178.5 | -178 | -110.9 | 0 | 0 | 0 | 111.8 | C1266 N1269 L1270 D1274 R1280 S1281 V1282 L1315 F1332 L1333 C1336 I1340 | C1266-F1278 HydrophobicContact CB-CE2 4.38Å; N1269-F1278 HydrophobicContact CB-CB 4.29Å; N1269-F1278 HydrophobicContact CB-CD2 4.28Å; L1270-F1278 HydrophobicContact CB-CD2 4.19Å; L1270-F1278 HydrophobicContact CB-CE2 4.01Å; L1270-F1278 HydrophobicContact CD1-CE2 4.21Å; L1270-F1278 HydrophobicContact CD1-CZ 4.33Å; D1274-F1278 WeakPolarHBondContact O-CB 3.37Å; D1274-F1278 PolarHBondContact O-N 3.11Å; F1278-R1280 VanDerWaalsContact C-N 3.31Å; F1278-R1280 PolarHBondContact O-N 2.99Å; F1278-S1281 WeakPolarHBondContact CA-OG 3.35Å; F1278-S1281 PolarHBondContact O-N 3.38Å; F1278-S1281 VanDerWaalsContact O-N 3.1Å; F1278-S1281 PolarHBondContact O-OG 2.96Å; F1278-V1282 HydrophobicContact CE1-CG2 4.34Å; F1278-V1282 HydrophobicContact CE2-CG2 4.41Å; F1278-V1282 HydrophobicContact CZ-CG2 4.2Å; F1278-V1282 WeakPolarHBondContact O-CG2 3.41Å; F1278-V1282 PolarHBondContact O-N 3.36Å; F1278-L1315 HydrophobicContact CE2-CD2 4.27Å; F1278-L1315 HydrophobicContact CZ-CD1 4.2Å; F1278-L1315 HydrophobicContact CZ-CD2 3.97Å; F1278-F1332 HydrophobicContact CB-CE1 4.29Å; F1278-F1332 HydrophobicContact CB-CZ 4.1Å; F1278-F1332 AromaticContact CD1-CE1 3.93Å; F1278-F1332 HydrophobicContact CD1-CE1 3.93Å; F1278-F1332 HydrophobicContact CD1-CZ 4.37Å; F1278-F1332 HydrophobicContact CE1-CE1 4.47Å; F1278-F1332 HydrophobicContact CG-CE1 4.09Å; F1278-F1332 HydrophobicContact CG-CZ 4.39Å; F1278-L1333 HydrophobicContact CE1-CD2 4.01Å; F1278-L1333 HydrophobicContact CZ-CD2 3.89Å; F1278-C1336 HydrophobicContact CD1-CB 4.42Å; F1278-C1336 HydrophobicContact CE1-CB 4.38Å; F1278-I1340 HydrophobicContact CE1-CD1 4.14Å |
| 1279 | L | 79.6 | Confident | 74.1 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.4 | -70.3 | 171.6 | 0 | 0 | 0 | 112.3 | R1275 V1282 S1283 C1336 H1339 I1340 I1343 | R1275-L1279 HydrophobicContact CG-CD1 3.89Å; R1275-L1279 VanDerWaalsContact O-CB 3.29Å; R1275-L1279 WeakPolarHBondContact O-CB 3.2Å; R1275-L1279 WeakPolarHBondContact O-CD1 3.34Å; R1275-L1279 WeakPolarHBondContact O-CG 3.06Å; R1275-L1279 PolarHBondContact O-N 2.87Å; L1279-V1282 PolarHBondContact O-N 2.78Å; L1279-S1283 WeakPolarHBondContact O-CB 3.2Å; L1279-S1283 PolarHBondContact O-N 2.84Å; L1279-C1336 HydrophobicContact CD2-CB 4.21Å; L1279-H1339 HydrophobicContact CD1-CB 3.7Å; L1279-H1339 HydrophobicContact CD2-CB 3.75Å; L1279-H1339 HydrophobicContact CG-CB 4.4Å; L1279-I1340 HydrophobicContact CD2-CG1 3.73Å; L1279-I1343 HydrophobicContact CB-CD1 4.5Å; L1279-I1343 HydrophobicContact CD2-CD1 4.22Å |
| 1280 | R | 75.1 | Confident | 73.1 | Confident | 166 Ų | 166 | 43.5 Ų | 43.5 | 63% | 0.626 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.2 | -39.9 | 171.6 | -72.9 | 170.1 | -158.2 | 177.8 | 9.7 | 112.2 | D1276 A1277 F1278 S1283 M1284 | D1276-R1280 VanDerWaalsContact O-CB 3.27Å; D1276-R1280 WeakPolarHBondContact O-CB 3.34Å; D1276-R1280 WeakPolarHBondContact O-CD 3.31Å; D1276-R1280 WeakPolarHBondContact O-CG 3.44Å; D1276-R1280 PolarHBondContact O-N 2.84Å; D1276-R1280 IonicContact OD2-CZ 2.75Å; D1276-R1280 IonicContact OD2-NE 4Å; D1276-R1280 IonicContact OD2-NH2 3.79Å; D1276-R1280 PolarHBondContact OD2-NH2 3.32Å; A1277-R1280 PolarHBondContact O-N 2.94Å; F1278-R1280 VanDerWaalsContact C-N 3.31Å; F1278-R1280 PolarHBondContact O-N 2.99Å; R1280-S1283 PolarHBondContact O-N 3.19Å; R1280-M1284 VanDerWaalsContact O-CB 3.26Å; R1280-M1284 WeakPolarHBondContact O-CB 3.27Å; R1280-M1284 PolarHBondContact O-N 3.02Å |
| 1281 | S | 75.4 | Confident | 71.7 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 174.9 | 44.7 | 0 | 0 | 0 | 0 | 113.1 | N1269 A1277 F1278 M1284 A1285 | N1269-S1281 VanDerWaalsContact ND2-CB 3.29Å; N1269-S1281 WeakPolarHBondContact ND2-CB 3.25Å; N1269-S1281 PolarHBondContact ND2-OG 2.95Å; A1277-S1281 PolarHBondContact O-N 2.68Å; A1277-S1281 PolarHBondContact O-OG 2.97Å; A1277-S1281 VanDerWaalsContact O-OG 3.06Å; F1278-S1281 WeakPolarHBondContact CA-OG 3.35Å; F1278-S1281 PolarHBondContact O-N 3.38Å; F1278-S1281 VanDerWaalsContact O-N 3.1Å; F1278-S1281 PolarHBondContact O-OG 2.96Å; S1281-M1284 PolarHBondContact O-N 3.12Å; S1281-A1285 VanDerWaalsContact O-CB 3.27Å; S1281-A1285 WeakPolarHBondContact O-CB 3.39Å; S1281-A1285 PolarHBondContact O-N 2.88Å |
| 1282 | V | 76.4 | Confident | 70.5 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -49 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | F1278 L1279 M1284 A1285 V1286 I1340 | F1278-V1282 HydrophobicContact CE1-CG2 4.34Å; F1278-V1282 HydrophobicContact CE2-CG2 4.41Å; F1278-V1282 HydrophobicContact CZ-CG2 4.2Å; F1278-V1282 WeakPolarHBondContact O-CG2 3.41Å; F1278-V1282 PolarHBondContact O-N 3.36Å; L1279-V1282 PolarHBondContact O-N 2.78Å; V1282-M1284 VanDerWaalsContact C-N 3.33Å; V1282-M1284 PolarHBondContact O-N 2.67Å; V1282-A1285 PolarHBondContact O-N 2.85Å; V1282-V1286 VanDerWaalsContact O-CG2 3.3Å; V1282-V1286 WeakPolarHBondContact O-CG2 3.24Å; V1282-V1286 PolarHBondContact O-N 2.83Å; V1282-I1340 HydrophobicContact CG1-CG2 4.47Å |
| 1283 | S | 75.6 | Confident | 68.8 | Low | 40 Ų | 40 | 54 Ų | 54 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 176 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | L1279 R1280 V1286 N1287 | L1279-S1283 WeakPolarHBondContact O-CB 3.2Å; L1279-S1283 PolarHBondContact O-N 2.84Å; R1280-S1283 PolarHBondContact O-N 3.19Å; S1283-V1286 PolarHBondContact O-N 2.81Å; S1283-N1287 WeakPolarHBondContact O-CB 3.49Å; S1283-N1287 VanDerWaalsContact O-CG 3.31Å; S1283-N1287 PolarHBondContact O-N 2.7Å; S1283-N1287 PolarHBondContact O-ND2 2.82Å |
| 1284 | M | 72.9 | Confident | 67.3 | Low | 68 Ų | 68 | 60.6 Ų | 60.6 | 34% | 0.335 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | 178 | -166.8 | 165.3 | 74.6 | 0 | 0 | 112.2 | T1257 R1280 S1281 V1282 W1288 | T1257-M1284 HydrophobicContact CG2-CE 3.99Å; R1280-M1284 VanDerWaalsContact O-CB 3.26Å; R1280-M1284 WeakPolarHBondContact O-CB 3.27Å; R1280-M1284 PolarHBondContact O-N 3.02Å; S1281-M1284 PolarHBondContact O-N 3.12Å; V1282-M1284 VanDerWaalsContact C-N 3.33Å; V1282-M1284 PolarHBondContact O-N 2.67Å; M1284-W1288 HydrophobicContact CE-CH2 3.62Å; M1284-W1288 HydrophobicContact CE-CZ2 3.87Å; M1284-W1288 HydrophobicContact CE-CZ3 4.12Å; M1284-W1288 HydrophobicContact CG-CD2 4.05Å; M1284-W1288 HydrophobicContact CG-CE3 4.49Å; M1284-W1288 HydrophobicContact CG-CH2 4.43Å; M1284-W1288 HydrophobicContact CG-CZ2 3.97Å; M1284-W1288 VanDerWaalsContact O-CB 3.27Å; M1284-W1288 WeakPolarHBondContact O-CB 2.98Å; M1284-W1288 VanDerWaalsContact O-CG 3.22Å; M1284-W1288 PolarHBondContact O-N 3.12Å; M1284-W1288 HydrophobicContact SD-CH2 4.2Å; M1284-W1288 HydrophobicContact SD-CZ2 3.79Å |
| 1285 | A | 71.7 | Confident | 65.6 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1262 S1281 V1282 W1288 T1289 L1311 | K1262-A1285 HydrophobicContact CB-CB 4.03Å; K1262-A1285 HydrophobicContact CG-CB 4.43Å; S1281-A1285 VanDerWaalsContact O-CB 3.27Å; S1281-A1285 WeakPolarHBondContact O-CB 3.39Å; S1281-A1285 PolarHBondContact O-N 2.88Å; V1282-A1285 PolarHBondContact O-N 2.85Å; A1285-W1288 CarbonylContact O-C 3.57Å; A1285-W1288 PolarHBondContact O-N 2.95Å; A1285-T1289 PolarHBondContact O-N 3.46Å; A1285-T1289 PolarHBondContact O-OG1 3.1Å; A1285-L1311 HydrophobicContact CB-CD2 4.5Å |
| 1286 | V | 70.4 | Confident | 63.6 | Low | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.3 | V1282 S1283 W1288 T1289 V1290 L1308 L1344 V1347 | V1282-V1286 VanDerWaalsContact O-CG2 3.3Å; V1282-V1286 WeakPolarHBondContact O-CG2 3.24Å; V1282-V1286 PolarHBondContact O-N 2.83Å; S1283-V1286 PolarHBondContact O-N 2.81Å; V1286-W1288 VanDerWaalsContact C-N 3.27Å; V1286-W1288 PolarHBondContact O-N 2.91Å; V1286-T1289 WeakPolarHBondContact CA-OG1 3.44Å; V1286-T1289 PolarHBondContact O-N 3.29Å; V1286-T1289 PolarHBondContact O-OG1 3.37Å; V1286-V1290 WeakPolarHBondContact O-CG2 3.44Å; V1286-V1290 PolarHBondContact O-N 3.47Å; V1286-V1290 VanDerWaalsContact O-N 3.08Å; V1286-L1308 HydrophobicContact CG1-CD1 4.46Å; V1286-L1308 HydrophobicContact CG2-CD1 4.43Å; V1286-L1308 HydrophobicContact CG2-CD2 4.22Å; V1286-L1344 HydrophobicContact CG2-CD2 4.45Å; V1286-V1347 HydrophobicContact CG1-CB 4.16Å; V1286-V1347 HydrophobicContact CG1-CG1 3.82Å; V1286-V1347 HydrophobicContact CG1-CG2 3.75Å |
| 1287 | N | 66.5 | Low | 61.6 | Low | 64 Ų | 64 | 68.6 Ų | 68.6 | 34% | 0.342 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 173.5 | -77.7 | -33.4 | 0 | 0 | 0 | 111.4 | S1283 T1289 V1290 F1291 | S1283-N1287 WeakPolarHBondContact O-CB 3.49Å; S1283-N1287 VanDerWaalsContact O-CG 3.31Å; S1283-N1287 PolarHBondContact O-N 2.7Å; S1283-N1287 PolarHBondContact O-ND2 2.82Å; N1287-T1289 VanDerWaalsContact C-N 3.29Å; N1287-T1289 PolarHBondContact O-N 3.41Å; N1287-V1290 PolarHBondContact O-N 3.07Å; N1287-V1290 VanDerWaalsContact O-N 3.11Å; N1287-F1291 HydrophobicContact CB-CD2 4.35Å; N1287-F1291 WeakPolarHBondContact O-CB 3.5Å; N1287-F1291 WeakPolarHBondContact O-CD2 3.36Å; N1287-F1291 PolarHBondContact O-N 3.15Å |
| 1288 | W | 65.8 | Low | 59.7 | Low | 79 Ų | 79 | 75.3 Ų | 75.3 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.3 | -9.2 | 174.2 | -71.5 | -7.8 | 0 | 0 | 0 | 114.9 | T1257 R1260 K1262 I1265 M1284 A1285 V1286 | T1257-W1288 WeakPolarHBondContact O-CH2 3.37Å; R1260-W1288 HydrophobicContact CB-CE3 4.36Å; R1260-W1288 HydrophobicContact CB-CZ3 4.21Å; R1260-W1288 HydrophobicContact CG-CZ3 4.41Å; K1262-W1288 VanDerWaalsContact NZ-C 3.27Å; K1262-W1288 PolarHBondContact NZ-O 2.87Å; I1265-W1288 HydrophobicContact CD1-CZ3 4.16Å; M1284-W1288 HydrophobicContact CE-CH2 3.62Å; M1284-W1288 HydrophobicContact CE-CZ2 3.87Å; M1284-W1288 HydrophobicContact CE-CZ3 4.12Å; M1284-W1288 HydrophobicContact CG-CD2 4.05Å; M1284-W1288 HydrophobicContact CG-CE3 4.49Å; M1284-W1288 HydrophobicContact CG-CH2 4.43Å; M1284-W1288 HydrophobicContact CG-CZ2 3.97Å; M1284-W1288 VanDerWaalsContact O-CB 3.27Å; M1284-W1288 WeakPolarHBondContact O-CB 2.98Å; M1284-W1288 VanDerWaalsContact O-CG 3.22Å; M1284-W1288 PolarHBondContact O-N 3.12Å; M1284-W1288 HydrophobicContact SD-CH2 4.2Å; M1284-W1288 HydrophobicContact SD-CZ2 3.79Å; A1285-W1288 CarbonylContact O-C 3.57Å; A1285-W1288 PolarHBondContact O-N 2.95Å; V1286-W1288 VanDerWaalsContact C-N 3.27Å; V1286-W1288 PolarHBondContact O-N 2.91Å |
| 1289 | T | 62.6 | Low | 57.2 | Low | 10 Ų | 10 | 84 Ų | 84 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -88.4 | -21.7 | 162.1 | 34.5 | 0 | 0 | 0 | 0 | 113 | K1262 A1285 V1286 N1287 S1292 L1308 | K1262-T1289 HydrophobicContact CD-CG2 4.35Å; A1285-T1289 PolarHBondContact O-N 3.46Å; A1285-T1289 PolarHBondContact O-OG1 3.1Å; V1286-T1289 WeakPolarHBondContact CA-OG1 3.44Å; V1286-T1289 PolarHBondContact O-N 3.29Å; V1286-T1289 PolarHBondContact O-OG1 3.37Å; N1287-T1289 VanDerWaalsContact C-N 3.29Å; N1287-T1289 PolarHBondContact O-N 3.41Å; T1289-S1292 PolarHBondContact O-OG 2.94Å; T1289-L1308 WeakPolarHBondContact OG1-CD1 3.35Å |
| 1290 | V | 59.1 | Low | 55 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -89 | -35.6 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | V1286 N1287 V1347 | V1286-V1290 WeakPolarHBondContact O-CG2 3.44Å; V1286-V1290 PolarHBondContact O-N 3.47Å; V1286-V1290 VanDerWaalsContact O-N 3.08Å; N1287-V1290 PolarHBondContact O-N 3.07Å; N1287-V1290 VanDerWaalsContact O-N 3.11Å; V1290-V1347 HydrophobicContact CG2-CG1 3.87Å |
| 1291 | F | 52 | Low | 53.4 | Low | 134 Ų | 134 | 87.4 Ų | 87.4 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -84.1 | -11.4 | 179.9 | -79.8 | -70.5 | 0 | 0 | 0 | 114.7 | N1287 D1293 Y1294 | N1287-F1291 HydrophobicContact CB-CD2 4.35Å; N1287-F1291 WeakPolarHBondContact O-CB 3.5Å; N1287-F1291 WeakPolarHBondContact O-CD2 3.36Å; N1287-F1291 PolarHBondContact O-N 3.15Å; F1291-D1293 PolarHBondContact O-N 3.31Å; F1291-Y1294 HydrophobicContact CD1-CD2 4.31Å |
| 1292 | S | 52.8 | Low | 52.1 | Low | 47 Ų | 47 | 90.7 Ų | 90.7 | 33% | 0.329 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -62.3 | -31.6 | 170.6 | 38.4 | 0 | 0 | 0 | 0 | 112.4 | T1289 Y1294 S1295 | T1289-S1292 PolarHBondContact O-OG 2.94Å; S1292-Y1294 PolarHBondContact O-N 2.86Å; S1292-Y1294 VanDerWaalsContact O-N 3.1Å; S1292-S1295 PolarHBondContact O-N 3.03Å; S1292-S1295 PolarHBondContact O-OG 2.8Å; S1292-S1295 VanDerWaalsContact O-OG 3.13Å |
| 1293 | D | 38.5 | Very low | 50.6 | Low | 93 Ų | 93 | 92.9 Ų | 92.9 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -73.7 | -4.1 | -171.8 | -57.2 | 8.1 | 0 | 0 | 0 | 112.6 | F1291 | F1291-D1293 PolarHBondContact O-N 3.31Š|
| 1294 | Y | 44 | Very low | 49.3 | Very low | 189 Ų | 189 | 92.8 Ų | 92.8 | 74% | 0.741 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -96.1 | -8.6 | 177.4 | -81.2 | -87.9 | 0 | 0 | 0 | 114.6 | F1291 S1292 | F1291-Y1294 HydrophobicContact CD1-CD2 4.31Å; S1292-Y1294 PolarHBondContact O-N 2.86Å; S1292-Y1294 VanDerWaalsContact O-N 3.1Å |
| 1295 | S | 38.3 | Very low | 48.3 | Very low | 95 Ų | 95 | 94.2 Ų | 94.2 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -15.5 | -171.9 | 48.6 | 0 | 0 | 0 | 0 | 116.8 | S1292 | S1292-S1295 PolarHBondContact O-N 3.03Å; S1292-S1295 PolarHBondContact O-OG 2.8Å; S1292-S1295 VanDerWaalsContact O-OG 3.13Å |
| 1296 | E | 31.8 | Very low | 47.8 | Very low | 176 Ų | 176 | 98.7 Ų | 98.7 | 82% | 0.822 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -128.6 | 135.4 | 179.4 | -66 | -171 | 159.1 | 0 | 0 | 111.7 | H1298 | E1296-H1298 PolarHBondContact O-N 3.42Š|
| 1297 | I | 31.2 | Very low | 47.3 | Very low | 161 Ų | 161 | 100.9 Ų | 100.9 | 83% | 0.826 | 52% | 0.524 | S | S | * | . | trans | -89.1 | 109.5 | -164.8 | -61.2 | 173.6 | 0 | 0 | 0 | 110.8 | ||||
| 1298 | H | 31.4 | Very low | 47.4 | Very low | 167 Ų | 167 | 99.7 Ų | 99.7 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 53.4 | 69.6 | 161.5 | -72.7 | -63.4 | 0 | 0 | 0 | 118 | E1296 | E1296-H1298 PolarHBondContact O-N 3.42Š|
| 1299 | Q | 30.1 | Very low | 47.4 | Very low | 183 Ų | 183 | 102.9 Ų | 102.9 | 86% | 0.855 | 53% | 0.534 | S | S | * | . | trans | -157.9 | 155.1 | 143.4 | -111.2 | 133 | 86.2 | 0 | 0 | 112.3 | ||||
| 1300 | D | 34.5 | Very low | 47.8 | Very low | 115 Ų | 115 | 106.4 Ų | 106.4 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | trans | 57 | 61.8 | 167 | -65 | -4.9 | 0 | 0 | 0 | 121.2 | S1302 A1303 | D1300-S1302 PolarHBondContact O-N 3.21Å; D1300-A1303 PolarHBondContact O-N 2.91Å | ||
| 1301 | I | 40.4 | Very low | 48.6 | Very low | 141 Ų | 141 | 104.4 Ų | 104.4 | 72% | 0.723 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.7 | -13.8 | 159.9 | -63.1 | 167.7 | 0 | 0 | 0 | 112.8 | T1304 | I1301-T1304 PolarHBondContact O-OG1 3.5Å |
| 1302 | S | 47.3 | Very low | 49.8 | Very low | 76 Ų | 76 | 100.7 Ų | 100.7 | 53% | 0.531 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71 | -34 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | D1300 | D1300-S1302 PolarHBondContact O-N 3.21Å |
| 1303 | A | 45.3 | Very low | 51 | Low | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -77.2 | -36.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1300 N1305 I1306 | D1300-A1303 PolarHBondContact O-N 2.91Å; A1303-N1305 VanDerWaalsContact C-N 3.35Å; A1303-N1305 PolarHBondContact O-N 3.19Å; A1303-I1306 PolarHBondContact O-N 2.85Å; A1303-I1306 VanDerWaalsContact O-N 3.14Å |
| 1304 | T | 47.9 | Very low | 52.8 | Low | 39 Ų | 39 | 96.8 Ų | 96.8 | 24% | 0.239 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | -178.9 | 53.6 | 0 | 0 | 0 | 0 | 112 | I1301 I1306 C1307 L1308 | I1301-T1304 PolarHBondContact O-OG1 3.5Å; T1304-I1306 VanDerWaalsContact C-N 3.28Å; T1304-I1306 PolarHBondContact O-N 3.38Å; T1304-C1307 PolarHBondContact O-N 2.63Å; T1304-L1308 PolarHBondContact O-N 3.36Å |
| 1305 | N | 53.3 | Low | 54.5 | Low | 97 Ų | 97 | 88.7 Ų | 88.7 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58 | -37.1 | 174.2 | -110.4 | -67.6 | 0 | 0 | 0 | 112.8 | A1303 K1309 | A1303-N1305 VanDerWaalsContact C-N 3.35Å; A1303-N1305 PolarHBondContact O-N 3.19Å; N1305-K1309 WeakPolarHBondContact O-CB 3.38Å; N1305-K1309 PolarHBondContact O-N 3.22Å |
| 1306 | I | 61.3 | Low | 56.5 | Low | 101 Ų | 101 | 86.7 Ų | 86.7 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.3 | -45.2 | -177.2 | -64 | 170 | 0 | 0 | 0 | 111 | A1303 T1304 K1309 K1310 | A1303-I1306 PolarHBondContact O-N 2.85Å; A1303-I1306 VanDerWaalsContact O-N 3.14Å; T1304-I1306 VanDerWaalsContact C-N 3.28Å; T1304-I1306 PolarHBondContact O-N 3.38Å; I1306-K1309 PolarHBondContact O-N 3.09Å; I1306-K1310 WeakPolarHBondContact O-CB 3.41Å; I1306-K1310 WeakPolarHBondContact O-CG 3.22Å; I1306-K1310 PolarHBondContact O-N 3.39Å |
| 1307 | C | 60.3 | Low | 59 | Low | 49 Ų | 49 | 81.5 Ų | 81.5 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | -179 | -70.7 | 0 | 0 | 0 | 0 | 113 | T1304 K1309 K1310 L1311 | T1304-C1307 PolarHBondContact O-N 2.63Å; C1307-K1309 VanDerWaalsContact C-N 3.34Å; C1307-K1310 PolarHBondContact O-N 2.85Å; C1307-L1311 PolarHBondContact O-N 2.98Å; C1307-L1311 VanDerWaalsContact O-N 3.14Å |
| 1308 | L | 66.9 | Low | 61.3 | Low | 38 Ų | 38 | 73.8 Ų | 73.8 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.2 | -143.2 | 174.5 | 0 | 0 | 0 | 110.4 | V1286 T1289 T1304 L1311 I1312 L1344 | V1286-L1308 HydrophobicContact CG1-CD1 4.46Å; V1286-L1308 HydrophobicContact CG2-CD1 4.43Å; V1286-L1308 HydrophobicContact CG2-CD2 4.22Å; T1289-L1308 WeakPolarHBondContact OG1-CD1 3.35Å; T1304-L1308 PolarHBondContact O-N 3.36Å; L1308-L1311 PolarHBondContact O-N 2.75Å; L1308-I1312 HydrophobicContact CD2-CD1 3.58Å; L1308-I1312 HydrophobicContact CD2-CG1 4.16Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.2Å; L1308-I1312 PolarHBondContact O-N 2.68Å; L1308-L1344 HydrophobicContact CD2-CD2 4.33Å |
| 1309 | K | 67.4 | Low | 63.7 | Low | 147 Ų | 147 | 67.4 Ų | 67.4 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 175.1 | -160.1 | 169.8 | -168.4 | 172.9 | 0 | 112.4 | N1305 I1306 C1307 L1311 I1312 T1313 | N1305-K1309 WeakPolarHBondContact O-CB 3.38Å; N1305-K1309 PolarHBondContact O-N 3.22Å; I1306-K1309 PolarHBondContact O-N 3.09Å; C1307-K1309 VanDerWaalsContact C-N 3.34Å; K1309-L1311 PolarHBondContact O-N 2.82Å; K1309-I1312 PolarHBondContact O-N 2.63Å; K1309-T1313 WeakPolarHBondContact O-CG2 3.09Å; K1309-T1313 PolarHBondContact O-N 2.82Å; K1309-T1313 PolarHBondContact O-OG1 2.88Å |
| 1310 | K | 71.1 | Confident | 66.1 | Low | 84 Ų | 84 | 66.1 Ų | 66.1 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.8 | -44.7 | 172.8 | -82.3 | -175 | -179.2 | -170.2 | 0 | 112.7 | I1306 C1307 T1313 G1314 | I1306-K1310 WeakPolarHBondContact O-CB 3.41Å; I1306-K1310 WeakPolarHBondContact O-CG 3.22Å; I1306-K1310 PolarHBondContact O-N 3.39Å; C1307-K1310 PolarHBondContact O-N 2.85Å; K1310-T1313 PolarHBondContact O-OG1 3.38Å; K1310-T1313 VanDerWaalsContact O-OG1 3.09Å; K1310-G1314 PolarHBondContact O-N 2.93Å |
| 1311 | L | 75.4 | Confident | 68.4 | Low | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.2 | -172.3 | 83.7 | 0 | 0 | 0 | 110.9 | W1179 E1263 C1266 A1285 C1307 L1308 K1309 L1315 | W1179-L1311 HydrophobicContact CH2-CD1 4.21Å; E1263-L1311 HydrophobicContact CB-CD1 4.34Å; E1263-L1311 HydrophobicContact CG-CD1 3.94Å; C1266-L1311 HydrophobicContact CB-CD1 4.32Å; A1285-L1311 HydrophobicContact CB-CD2 4.5Å; C1307-L1311 PolarHBondContact O-N 2.98Å; C1307-L1311 VanDerWaalsContact O-N 3.14Å; L1308-L1311 PolarHBondContact O-N 2.75Å; K1309-L1311 PolarHBondContact O-N 2.82Å; L1311-L1315 HydrophobicContact CG-CD1 4.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.33Å; L1311-L1315 WeakPolarHBondContact O-CG 3.42Å; L1311-L1315 PolarHBondContact O-N 3.5Å |
| 1312 | I | 76 | Confident | 70.2 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | -179.9 | -65.8 | 171.2 | 0 | 0 | 0 | 111.1 | L1308 K1309 S1316 L1344 | L1308-I1312 HydrophobicContact CD2-CD1 3.58Å; L1308-I1312 HydrophobicContact CD2-CG1 4.16Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.2Å; L1308-I1312 PolarHBondContact O-N 2.68Å; K1309-I1312 PolarHBondContact O-N 2.63Å; I1312-S1316 WeakPolarHBondContact O-CB 3.36Å; I1312-S1316 PolarHBondContact O-N 2.89Å; I1312-L1344 HydrophobicContact CD1-CD1 3.93Å; I1312-L1344 HydrophobicContact CD1-CD2 4.13Å |
| 1313 | T | 78 | Confident | 71.6 | Confident | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.9 | 56 | 0 | 0 | 0 | 0 | 111.2 | K1309 K1310 L1315 S1316 E1317 | K1309-T1313 WeakPolarHBondContact O-CG2 3.09Å; K1309-T1313 PolarHBondContact O-N 2.82Å; K1309-T1313 PolarHBondContact O-OG1 2.88Å; K1310-T1313 PolarHBondContact O-OG1 3.38Å; K1310-T1313 VanDerWaalsContact O-OG1 3.09Å; T1313-L1315 PolarHBondContact O-N 2.86Å; T1313-S1316 WeakPolarHBondContact CA-OG 3.37Å; T1313-S1316 CarbonylContact O-C 3.57Å; T1313-S1316 WeakPolarHBondContact O-CA 3.39Å; T1313-S1316 PolarHBondContact O-N 2.87Å; T1313-S1316 PolarHBondContact O-OG 2.84Å; T1313-E1317 WeakPolarHBondContact O-CG 3.36Å; T1313-E1317 PolarHBondContact O-N 2.92Å |
| 1314 | G | 76.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1179 K1310 S1316 E1317 I1318 | W1179-G1314 VanDerWaalsContact CG-CA 3.46Å; K1310-G1314 PolarHBondContact O-N 2.93Å; G1314-S1316 VanDerWaalsContact C-N 3.34Å; G1314-E1317 PolarHBondContact O-N 2.83Å; G1314-I1318 WeakPolarHBondContact O-CG1 3.46Å; G1314-I1318 PolarHBondContact O-N 3.05Å |
| 1315 | L | 81.1 | Confident | 73.6 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 172.2 | -73.1 | 173.1 | 0 | 0 | 0 | 112.4 | L1270 F1278 L1311 T1313 K1319 | L1270-L1315 HydrophobicContact CD2-CD2 4.36Å; F1278-L1315 HydrophobicContact CE2-CD2 4.27Å; F1278-L1315 HydrophobicContact CZ-CD1 4.2Å; F1278-L1315 HydrophobicContact CZ-CD2 3.97Å; L1311-L1315 HydrophobicContact CG-CD1 4.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.33Å; L1311-L1315 WeakPolarHBondContact O-CG 3.42Å; L1311-L1315 PolarHBondContact O-N 3.5Å; T1313-L1315 PolarHBondContact O-N 2.86Å; L1315-K1319 PolarHBondContact O-N 2.95Å |
| 1316 | S | 79.9 | Confident | 74.6 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.1 | -35.6 | 175.1 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | I1312 T1313 G1314 K1319 Q1320 | I1312-S1316 WeakPolarHBondContact O-CB 3.36Å; I1312-S1316 PolarHBondContact O-N 2.89Å; T1313-S1316 WeakPolarHBondContact CA-OG 3.37Å; T1313-S1316 CarbonylContact O-C 3.57Å; T1313-S1316 WeakPolarHBondContact O-CA 3.39Å; T1313-S1316 PolarHBondContact O-N 2.87Å; T1313-S1316 PolarHBondContact O-OG 2.84Å; G1314-S1316 VanDerWaalsContact C-N 3.34Å; S1316-K1319 PolarHBondContact O-N 3.48Å; S1316-Q1320 WeakPolarHBondContact O-CG 3.34Å; S1316-Q1320 PolarHBondContact O-N 2.8Å |
| 1317 | E | 82.8 | Confident | 75.2 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 171.7 | -72.7 | 164.4 | -154.6 | 0 | 0 | 110.6 | P1180 T1313 G1314 Q1320 W1321 | P1180-E1317 HydrophobicContact CG-CB 4.23Å; T1313-E1317 WeakPolarHBondContact O-CG 3.36Å; T1313-E1317 PolarHBondContact O-N 2.92Å; G1314-E1317 PolarHBondContact O-N 2.83Å; E1317-Q1320 PolarHBondContact O-N 2.88Å; E1317-W1321 VanDerWaalsContact O-CB 3.29Å; E1317-W1321 WeakPolarHBondContact O-CB 3.46Å; E1317-W1321 PolarHBondContact O-N 3.13Å |
| 1318 | I | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.4 | -67.5 | 167.3 | 0 | 0 | 0 | 110.9 | W1179 F1183 L1267 L1270 G1314 W1321 S1322 L1333 | W1179-I1318 HydrophobicContact CB-CD1 4.23Å; W1179-I1318 HydrophobicContact CB-CG1 4.23Å; W1179-I1318 HydrophobicContact CE3-CD1 4.16Å; F1183-I1318 HydrophobicContact CB-CD1 4.04Å; F1183-I1318 HydrophobicContact CB-CG1 4.42Å; F1183-I1318 HydrophobicContact CD1-CG2 4.06Å; F1183-I1318 HydrophobicContact CE1-CG2 4.21Å; F1183-I1318 HydrophobicContact CG-CD1 4.24Å; L1267-I1318 HydrophobicContact CD2-CD1 3.63Å; L1270-I1318 HydrophobicContact CD2-CG2 4.06Å; G1314-I1318 WeakPolarHBondContact O-CG1 3.46Å; G1314-I1318 PolarHBondContact O-N 3.05Å; I1318-W1321 PolarHBondContact O-N 3.03Å; I1318-S1322 WeakPolarHBondContact O-CB 3.47Å; I1318-S1322 PolarHBondContact O-N 2.83Å; I1318-S1322 PolarHBondContact O-OG 3.05Å; I1318-S1322 VanDerWaalsContact O-OG 3.04Å; I1318-L1333 HydrophobicContact CG2-CD1 4.16Å |
| 1319 | K | 80.3 | Confident | 76.6 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.8 | -55.3 | 173.4 | -168.2 | -173.7 | 178.9 | -167.9 | 0 | 110.4 | L1315 S1316 W1321 S1322 H1323 Y1330 L1333 E1334 E1337 | L1315-K1319 PolarHBondContact O-N 2.95Å; S1316-K1319 PolarHBondContact O-N 3.48Å; K1319-W1321 VanDerWaalsContact C-N 3.34Å; K1319-W1321 PolarHBondContact O-N 2.84Å; K1319-S1322 PolarHBondContact O-N 2.83Å; K1319-S1322 PolarHBondContact O-OG 3.34Å; K1319-H1323 PolarHBondContact O-N 3Å; K1319-Y1330 HydrophobicContact CD-CE2 4.34Å; K1319-Y1330 HydrophobicContact CG-CD2 3.93Å; K1319-Y1330 HydrophobicContact CG-CE2 3.89Å; K1319-Y1330 WeakPolarHBondContact O-CD2 3.45Å; K1319-L1333 HydrophobicContact CB-CD1 4.01Å; K1319-L1333 HydrophobicContact CG-CB 4.23Å; K1319-L1333 HydrophobicContact CG-CD1 4.49Å; K1319-E1334 IonicContact NZ-OE1 3.65Å; K1319-E1337 IonicContact NZ-OE1 3.27Å; K1319-E1337 IonicContact NZ-OE2 3.26Å; K1319-E1337 PolarHBondContact NZ-OE2 3.41Å |
| 1320 | Q | 82.1 | Confident | 77.3 | Confident | 156 Ų | 156 | 48.2 Ų | 48.2 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58.8 | -42.3 | -179.3 | -73.7 | -175.8 | -4.2 | 0 | 0 | 112.9 | S1316 E1317 | S1316-Q1320 WeakPolarHBondContact O-CG 3.34Å; S1316-Q1320 PolarHBondContact O-N 2.8Å; E1317-Q1320 PolarHBondContact O-N 2.88Å |
| 1321 | W | 82.4 | Confident | 77.7 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 177.2 | 176 | 80.4 | 0 | 0 | 0 | 112.4 | P1180 F1183 L1184 E1317 I1318 K1319 H1323 G1324 T1325 I1326 | P1180-W1321 HydrophobicContact CB-CB 4Å; P1180-W1321 HydrophobicContact CB-CD2 3.88Å; P1180-W1321 HydrophobicContact CB-CE3 4.4Å; P1180-W1321 HydrophobicContact CB-CG 3.67Å; P1180-W1321 HydrophobicContact CG-CB 4.02Å; P1180-W1321 HydrophobicContact CG-CG 4.23Å; F1183-W1321 HydrophobicContact CD1-CZ3 4.21Å; L1184-W1321 HydrophobicContact CB-CH2 4.39Å; L1184-W1321 HydrophobicContact CD1-CH2 4.17Å; L1184-W1321 HydrophobicContact CD1-CZ2 3.67Å; L1184-W1321 HydrophobicContact CG-CH2 3.95Å; L1184-W1321 HydrophobicContact CG-CZ2 3.99Å; E1317-W1321 VanDerWaalsContact O-CB 3.29Å; E1317-W1321 WeakPolarHBondContact O-CB 3.46Å; E1317-W1321 PolarHBondContact O-N 3.13Å; I1318-W1321 PolarHBondContact O-N 3.03Å; K1319-W1321 VanDerWaalsContact C-N 3.34Å; K1319-W1321 PolarHBondContact O-N 2.84Å; W1321-H1323 PolarHBondContact O-N 2.79Å; W1321-H1323 VanDerWaalsContact O-N 3.14Å; W1321-G1324 PolarHBondContact O-N 3.25Å; W1321-T1325 HydrophobicContact CD2-CG2 4.46Å; W1321-T1325 VanDerWaalsContact CE2-OG1 3.29Å; W1321-T1325 WeakPolarHBondContact CH2-OG1 3.43Å; W1321-T1325 HydrophobicContact CZ2-CG2 3.81Å; W1321-T1325 VanDerWaalsContact CZ2-OG1 3.27Å; W1321-T1325 WeakPolarHBondContact CZ2-OG1 3.3Å; W1321-T1325 WeakPolarHBondContact CZ3-OG1 3.25Å; W1321-T1325 PolarHBondContact O-N 2.91Å; W1321-T1325 PolarHBondContact O-OG1 3.1Å; W1321-I1326 HydrophobicContact CH2-CD1 3.67Å; W1321-I1326 HydrophobicContact CH2-CG1 4.15Å; W1321-I1326 HydrophobicContact CZ3-CD1 3.82Å; W1321-I1326 HydrophobicContact CZ3-CG1 4.3Å |
| 1322 | S | 78 | Confident | 78.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -25 | -176.1 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | I1318 K1319 G1324 T1325 I1326 Y1330 | I1318-S1322 WeakPolarHBondContact O-CB 3.47Å; I1318-S1322 PolarHBondContact O-N 2.83Å; I1318-S1322 PolarHBondContact O-OG 3.05Å; I1318-S1322 VanDerWaalsContact O-OG 3.04Å; K1319-S1322 PolarHBondContact O-N 2.83Å; K1319-S1322 PolarHBondContact O-OG 3.34Å; S1322-G1324 PolarHBondContact O-N 3.3Å; S1322-T1325 PolarHBondContact O-N 3.04Å; S1322-I1326 CarbonylContact O-C 3.14Å; S1322-I1326 PolarHBondContact O-N 3Å; S1322-Y1330 VanDerWaalsContact OG-CA 3.32Å; S1322-Y1330 WeakPolarHBondContact OG-CA 3.47Å; S1322-Y1330 WeakPolarHBondContact OG-CB 3.25Å; S1322-Y1330 PolarHBondContact OG-N 2.77Å |
| 1323 | H | 75.6 | Confident | 78.3 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.7 | -31.5 | 172.9 | -172.4 | -89.1 | 0 | 0 | 0 | 112.8 | K1319 W1321 Y1330 | K1319-H1323 PolarHBondContact O-N 3Å; W1321-H1323 PolarHBondContact O-N 2.79Å; W1321-H1323 VanDerWaalsContact O-N 3.14Å; H1323-Y1330 HydrophobicContact CB-CD2 3.57Å; H1323-Y1330 HydrophobicContact CB-CE2 3.94Å; H1323-Y1330 HydrophobicContact CB-CG 4.2Å; H1323-Y1330 AromaticContact CD2-CD2 3.87Å; H1323-Y1330 AromaticContact CD2-CE2 3.67Å; H1323-Y1330 AromaticContact CD2-CZ 3.8Å |
| 1324 | G | 67.3 | Low | 78.5 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -97.6 | -17.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W1321 S1322 | W1321-G1324 PolarHBondContact O-N 3.25Å; S1322-G1324 PolarHBondContact O-N 3.3Å |
| 1325 | T | 68.5 | Low | 78.7 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -124.5 | -39.9 | -170.4 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | W1321 S1322 | W1321-T1325 HydrophobicContact CD2-CG2 4.46Å; W1321-T1325 VanDerWaalsContact CE2-OG1 3.29Å; W1321-T1325 WeakPolarHBondContact CH2-OG1 3.43Å; W1321-T1325 HydrophobicContact CZ2-CG2 3.81Å; W1321-T1325 VanDerWaalsContact CZ2-OG1 3.27Å; W1321-T1325 WeakPolarHBondContact CZ2-OG1 3.3Å; W1321-T1325 WeakPolarHBondContact CZ3-OG1 3.25Å; W1321-T1325 PolarHBondContact O-N 2.91Å; W1321-T1325 PolarHBondContact O-OG1 3.1Å; S1322-T1325 PolarHBondContact O-N 3.04Å |
| 1326 | I | 74.4 | Confident | 78.7 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | trans | -143.6 | 78.7 | -174.7 | -40.2 | 172.1 | 0 | 0 | 0 | 110.6 | L1187 V1194 W1321 S1322 P1328 Y1329 | L1187-I1326 HydrophobicContact CD1-CD1 3.66Å; V1194-I1326 HydrophobicContact CB-CD1 4.48Å; V1194-I1326 HydrophobicContact CG1-CD1 4.08Å; V1194-I1326 HydrophobicContact CG1-CG1 3.97Å; V1194-I1326 HydrophobicContact CG2-CD1 3.59Å; V1194-I1326 HydrophobicContact CG2-CG1 4.32Å; W1321-I1326 HydrophobicContact CH2-CD1 3.67Å; W1321-I1326 HydrophobicContact CH2-CG1 4.15Å; W1321-I1326 HydrophobicContact CZ3-CD1 3.82Å; W1321-I1326 HydrophobicContact CZ3-CG1 4.3Å; S1322-I1326 CarbonylContact O-C 3.14Å; S1322-I1326 PolarHBondContact O-N 3Å; I1326-P1328 VanDerWaalsContact C-N 3.34Å; I1326-P1328 VanDerWaalsContact O-N 3.13Å; I1326-Y1329 HydrophobicContact CB-CD2 3.9Å; I1326-Y1329 HydrophobicContact CD1-CD2 4.2Å; I1326-Y1329 HydrophobicContact CD1-CE2 4.32Å; I1326-Y1329 HydrophobicContact CG2-CD2 3.46Å; I1326-Y1329 VanDerWaalsContact CG2-CD2 3.46Å; I1326-Y1329 HydrophobicContact CG2-CE2 3.78Å; I1326-Y1329 PolarHBondContact O-N 3.29Å; I1326-Y1329 VanDerWaalsContact O-N 3.11Å | ||
| 1327 | P | 73.8 | Confident | 78.7 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52.9 | -33.5 | -173.5 | -27.9 | 35.4 | 0 | 0 | 0 | 116.8 | Y1329 Y1330 Y1331 | P1327-Y1329 VanDerWaalsContact C-N 3.3Å; P1327-Y1329 PolarHBondContact O-N 2.89Å; P1327-Y1330 WeakPolarHBondContact O-CB 3.43Å; P1327-Y1330 PolarHBondContact O-N 2.73Å; P1327-Y1330 VanDerWaalsContact O-N 3.11Å; P1327-Y1331 HydrophobicContact CB-CD2 4.44Å; P1327-Y1331 HydrophobicContact CB-CE2 4.05Å; P1327-Y1331 WeakPolarHBondContact O-CD2 3.42Å; P1327-Y1331 PolarHBondContact O-N 3.08Å |
| 1328 | P | 75.7 | Confident | 78.4 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55 | -38.6 | 175.2 | -30.3 | 36.9 | 0 | 0 | 0 | 114.8 | I1326 F1332 | I1326-P1328 VanDerWaalsContact C-N 3.34Å; I1326-P1328 VanDerWaalsContact O-N 3.13Å; P1328-F1332 WeakPolarHBondContact O-CB 3.44Å; P1328-F1332 PolarHBondContact O-N 2.65Å; P1328-F1332 VanDerWaalsContact O-N 3.12Å |
| 1329 | Y | 80.4 | Confident | 78.3 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.4 | -29.8 | 177.9 | -66.2 | -67.3 | 0 | 0 | 0 | 112.3 | F1183 L1187 L1270 L1273 I1326 P1327 L1333 | F1183-Y1329 HydrophobicContact CE1-CD2 4.27Å; F1183-Y1329 HydrophobicContact CE1-CE2 4.48Å; F1183-Y1329 HydrophobicContact CE1-CG 4.38Å; F1183-Y1329 HydrophobicContact CZ-CD1 4.24Å; F1183-Y1329 HydrophobicContact CZ-CE1 4.24Å; F1183-Y1329 HydrophobicContact CZ-CG 4.43Å; L1187-Y1329 HydrophobicContact CD1-CE2 4.32Å; L1187-Y1329 HydrophobicContact CD2-CE2 4.12Å; L1187-Y1329 WeakPolarHBondContact CD2-OH 3.34Å; L1270-Y1329 HydrophobicContact CG-CD1 4.45Å; L1270-Y1329 WeakPolarHBondContact O-CE1 3.27Å; L1273-Y1329 HydrophobicContact CD1-CE1 4.28Å; L1273-Y1329 HydrophobicContact CD2-CD1 3.52Å; L1273-Y1329 HydrophobicContact CD2-CE1 3.6Å; L1273-Y1329 HydrophobicContact CG-CD1 4.26Å; L1273-Y1329 HydrophobicContact CG-CE1 3.81Å; I1326-Y1329 HydrophobicContact CB-CD2 3.9Å; I1326-Y1329 HydrophobicContact CD1-CD2 4.2Å; I1326-Y1329 HydrophobicContact CD1-CE2 4.32Å; I1326-Y1329 HydrophobicContact CG2-CD2 3.46Å; I1326-Y1329 VanDerWaalsContact CG2-CD2 3.46Å; I1326-Y1329 HydrophobicContact CG2-CE2 3.78Å; I1326-Y1329 PolarHBondContact O-N 3.29Å; I1326-Y1329 VanDerWaalsContact O-N 3.11Å; P1327-Y1329 VanDerWaalsContact C-N 3.3Å; P1327-Y1329 PolarHBondContact O-N 2.89Å; Y1329-L1333 WeakPolarHBondContact O-CB 3.47Å; Y1329-L1333 WeakPolarHBondContact O-CG 3.38Å; Y1329-L1333 PolarHBondContact O-N 3.2Å |
| 1330 | Y | 82.4 | Confident | 78.2 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -57.2 | 173.9 | 178.7 | -90.8 | 0 | 0 | 0 | 110.9 | K1319 S1322 H1323 P1327 F1332 L1333 E1334 | K1319-Y1330 HydrophobicContact CD-CE2 4.34Å; K1319-Y1330 HydrophobicContact CG-CD2 3.93Å; K1319-Y1330 HydrophobicContact CG-CE2 3.89Å; K1319-Y1330 WeakPolarHBondContact O-CD2 3.45Å; S1322-Y1330 VanDerWaalsContact OG-CA 3.32Å; S1322-Y1330 WeakPolarHBondContact OG-CA 3.47Å; S1322-Y1330 WeakPolarHBondContact OG-CB 3.25Å; S1322-Y1330 PolarHBondContact OG-N 2.77Å; H1323-Y1330 HydrophobicContact CB-CD2 3.57Å; H1323-Y1330 HydrophobicContact CB-CE2 3.94Å; H1323-Y1330 HydrophobicContact CB-CG 4.2Å; H1323-Y1330 AromaticContact CD2-CD2 3.87Å; H1323-Y1330 AromaticContact CD2-CE2 3.67Å; H1323-Y1330 AromaticContact CD2-CZ 3.8Å; P1327-Y1330 WeakPolarHBondContact O-CB 3.43Å; P1327-Y1330 PolarHBondContact O-N 2.73Å; P1327-Y1330 VanDerWaalsContact O-N 3.11Å; Y1330-F1332 VanDerWaalsContact C-N 3.28Å; Y1330-F1332 PolarHBondContact O-N 2.89Å; Y1330-L1333 PolarHBondContact O-N 3.13Å; Y1330-E1334 HydrophobicContact CE1-CB 4.46Å; Y1330-E1334 WeakPolarHBondContact CE1-OE1 3.4Å; Y1330-E1334 WeakPolarHBondContact CE1-OE2 3.35Å; Y1330-E1334 VanDerWaalsContact CZ-OE1 3.3Å; Y1330-E1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-E1334 PolarHBondContact O-N 3.41Å; Y1330-E1334 PolarHBondContact OH-OE1 3.46Å |
| 1331 | Y | 79.3 | Confident | 77.9 | Confident | 152 Ų | 152 | 53.6 Ų | 53.6 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -33.3 | -178.9 | -63.4 | -60.8 | 0 | 0 | 0 | 112.2 | P1327 S1335 | P1327-Y1331 HydrophobicContact CB-CD2 4.44Å; P1327-Y1331 HydrophobicContact CB-CE2 4.05Å; P1327-Y1331 WeakPolarHBondContact O-CD2 3.42Å; P1327-Y1331 PolarHBondContact O-N 3.08Å; Y1331-S1335 WeakPolarHBondContact O-CB 3.24Å; Y1331-S1335 PolarHBondContact O-N 3.01Å |
| 1332 | F | 83.7 | Confident | 77.5 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 173.4 | 178.4 | -96.8 | 0 | 0 | 0 | 112 | L1270 L1273 R1275 F1278 P1328 Y1330 S1335 C1336 | L1270-F1332 HydrophobicContact CD1-CD1 3.69Å; L1270-F1332 HydrophobicContact CD1-CE1 3.76Å; L1273-F1332 VanDerWaalsContact C-CE2 3.43Å; L1273-F1332 HydrophobicContact CB-CD2 4.43Å; L1273-F1332 HydrophobicContact CB-CE2 4.46Å; L1273-F1332 HydrophobicContact CD2-CB 3.71Å; L1273-F1332 HydrophobicContact CD2-CD1 4.06Å; L1273-F1332 HydrophobicContact CD2-CD2 3.83Å; L1273-F1332 HydrophobicContact CD2-CE2 4.47Å; L1273-F1332 HydrophobicContact CD2-CG 3.58Å; L1273-F1332 WeakPolarHBondContact O-CE2 3.46Å; R1275-F1332 HydrophobicContact CB-CE2 3.97Å; R1275-F1332 HydrophobicContact CB-CZ 4.35Å; F1278-F1332 HydrophobicContact CB-CE1 4.29Å; F1278-F1332 HydrophobicContact CB-CZ 4.1Å; F1278-F1332 AromaticContact CD1-CE1 3.93Å; F1278-F1332 HydrophobicContact CD1-CE1 3.93Å; F1278-F1332 HydrophobicContact CD1-CZ 4.37Å; F1278-F1332 HydrophobicContact CE1-CE1 4.47Å; F1278-F1332 HydrophobicContact CG-CE1 4.09Å; F1278-F1332 HydrophobicContact CG-CZ 4.39Å; P1328-F1332 WeakPolarHBondContact O-CB 3.44Å; P1328-F1332 PolarHBondContact O-N 2.65Å; P1328-F1332 VanDerWaalsContact O-N 3.12Å; Y1330-F1332 VanDerWaalsContact C-N 3.28Å; Y1330-F1332 PolarHBondContact O-N 2.89Å; F1332-S1335 PolarHBondContact O-N 3.48Å; F1332-S1335 PolarHBondContact O-OG 3.39Å; F1332-C1336 PolarHBondContact O-N 2.98Å; F1332-C1336 VanDerWaalsContact O-N 3.15Å; F1332-C1336 PolarHBondContact O-SG 2.92Å |
| 1333 | L | 81.9 | Confident | 77.3 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 178.8 | -76.7 | 169.2 | 0 | 0 | 0 | 111.9 | L1270 F1278 I1318 K1319 Y1329 Y1330 S1335 C1336 E1337 | L1270-L1333 HydrophobicContact CD1-CD1 4.39Å; L1270-L1333 HydrophobicContact CD1-CD2 3.69Å; L1270-L1333 HydrophobicContact CD1-CG 3.92Å; F1278-L1333 HydrophobicContact CE1-CD2 4.01Å; F1278-L1333 HydrophobicContact CZ-CD2 3.89Å; I1318-L1333 HydrophobicContact CG2-CD1 4.16Å; K1319-L1333 HydrophobicContact CB-CD1 4.01Å; K1319-L1333 HydrophobicContact CG-CB 4.23Å; K1319-L1333 HydrophobicContact CG-CD1 4.49Å; Y1329-L1333 WeakPolarHBondContact O-CB 3.47Å; Y1329-L1333 WeakPolarHBondContact O-CG 3.38Å; Y1329-L1333 PolarHBondContact O-N 3.2Å; Y1330-L1333 PolarHBondContact O-N 3.13Å; L1333-S1335 VanDerWaalsContact C-N 3.32Å; L1333-S1335 PolarHBondContact O-N 3.3Å; L1333-C1336 PolarHBondContact O-N 3.09Å; L1333-C1336 VanDerWaalsContact O-N 3.08Å; L1333-E1337 PolarHBondContact O-N 2.85Å |
| 1334 | E | 81.3 | Confident | 77 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.4 | -171.3 | 164.2 | -105.1 | 0 | 0 | 112.1 | K1319 Y1330 C1336 E1337 | K1319-E1334 IonicContact NZ-OE1 3.65Å; Y1330-E1334 HydrophobicContact CE1-CB 4.46Å; Y1330-E1334 WeakPolarHBondContact CE1-OE1 3.4Å; Y1330-E1334 WeakPolarHBondContact CE1-OE2 3.35Å; Y1330-E1334 VanDerWaalsContact CZ-OE1 3.3Å; Y1330-E1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-E1334 PolarHBondContact O-N 3.41Å; Y1330-E1334 PolarHBondContact OH-OE1 3.46Å; E1334-C1336 PolarHBondContact O-N 3.21Å; E1334-E1337 WeakPolarHBondContact O-CB 3.31Å; E1334-E1337 PolarHBondContact O-N 2.79Å |
| 1335 | S | 81.4 | Confident | 77 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -22.5 | 175.4 | 87.5 | 0 | 0 | 0 | 0 | 114 | R1275 Y1331 F1332 L1333 | R1275-S1335 VanDerWaalsContact CZ-O 3.25Å; R1275-S1335 PolarHBondContact NH1-O 2.86Å; R1275-S1335 PolarHBondContact NH1-OG 2.97Å; R1275-S1335 PolarHBondContact NH2-O 2.87Å; R1275-S1335 VanDerWaalsContact NH2-O 3.13Å; Y1331-S1335 WeakPolarHBondContact O-CB 3.24Å; Y1331-S1335 PolarHBondContact O-N 3.01Å; F1332-S1335 PolarHBondContact O-N 3.48Å; F1332-S1335 PolarHBondContact O-OG 3.39Å; L1333-S1335 VanDerWaalsContact C-N 3.32Å; L1333-S1335 PolarHBondContact O-N 3.3Å |
| 1336 | C | 80.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -89.6 | -27.5 | 178.6 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | F1278 L1279 F1332 L1333 E1334 H1339 I1340 | F1278-C1336 HydrophobicContact CD1-CB 4.42Å; F1278-C1336 HydrophobicContact CE1-CB 4.38Å; L1279-C1336 HydrophobicContact CD2-CB 4.21Å; F1332-C1336 PolarHBondContact O-N 2.98Å; F1332-C1336 VanDerWaalsContact O-N 3.15Å; F1332-C1336 PolarHBondContact O-SG 2.92Å; L1333-C1336 PolarHBondContact O-N 3.09Å; L1333-C1336 VanDerWaalsContact O-N 3.08Å; E1334-C1336 PolarHBondContact O-N 3.21Å; C1336-H1339 WeakPolarHBondContact O-CA 3.47Å; C1336-H1339 WeakPolarHBondContact O-CB 3.1Å; C1336-H1339 PolarHBondContact O-N 2.87Å; C1336-I1340 HydrophobicContact CB-CD1 4.17Å; C1336-I1340 PolarHBondContact O-N 2.89Å |
| 1337 | E | 80.2 | Confident | 76 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -47.1 | -48.5 | -176 | -166.6 | 161.5 | -149.4 | 0 | 0 | 115.2 | K1319 L1333 E1334 H1339 I1340 K1341 | K1319-E1337 IonicContact NZ-OE1 3.27Å; K1319-E1337 IonicContact NZ-OE2 3.26Å; K1319-E1337 PolarHBondContact NZ-OE2 3.41Å; L1333-E1337 PolarHBondContact O-N 2.85Å; E1334-E1337 WeakPolarHBondContact O-CB 3.31Å; E1334-E1337 PolarHBondContact O-N 2.79Å; E1337-H1339 VanDerWaalsContact C-N 3.29Å; E1337-H1339 PolarHBondContact O-N 2.89Å; E1337-I1340 PolarHBondContact O-N 2.82Å; E1337-K1341 PolarHBondContact O-N 3.44Å |
| 1338 | P | 76.9 | Confident | 75.2 | Confident | 70 Ų | 70 | 62 Ų | 62 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -31.3 | 176.8 | 24.6 | -34.6 | 0 | 0 | 0 | 113.3 | I1342 | P1338-I1342 WeakPolarHBondContact O-CD1 3.44Å; P1338-I1342 VanDerWaalsContact O-CG1 3.29Å; P1338-I1342 WeakPolarHBondContact O-CG1 3.23Å; P1338-I1342 PolarHBondContact O-N 2.67Å |
| 1339 | H | 78.9 | Confident | 74.1 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.6 | -37.9 | 176.1 | -65.8 | -83.5 | 0 | 0 | 0 | 112 | R1275 L1279 C1336 E1337 K1341 I1342 I1343 | R1275-H1339 PolarHBondContact NH2-CD2 3.13Å; R1275-H1339 PolarHBondContact NH2-NE2 3.36Å; L1279-H1339 HydrophobicContact CD1-CB 3.7Å; L1279-H1339 HydrophobicContact CD2-CB 3.75Å; L1279-H1339 HydrophobicContact CG-CB 4.4Å; C1336-H1339 WeakPolarHBondContact O-CA 3.47Å; C1336-H1339 WeakPolarHBondContact O-CB 3.1Å; C1336-H1339 PolarHBondContact O-N 2.87Å; E1337-H1339 VanDerWaalsContact C-N 3.29Å; E1337-H1339 PolarHBondContact O-N 2.89Å; H1339-K1341 VanDerWaalsContact C-N 3.27Å; H1339-K1341 PolarHBondContact O-N 2.99Å; H1339-I1342 PolarHBondContact O-N 2.84Å; H1339-I1343 WeakPolarHBondContact O-CB 3.49Å; H1339-I1343 WeakPolarHBondContact O-CD1 3.31Å; H1339-I1343 VanDerWaalsContact O-CG1 3.22Å; H1339-I1343 WeakPolarHBondContact O-CG1 3.41Å; H1339-I1343 PolarHBondContact O-N 3.32Å |
| 1340 | I | 78.5 | Confident | 72.7 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 172.3 | -63.3 | 169.7 | 0 | 0 | 0 | 109.5 | F1278 L1279 V1282 C1336 E1337 I1343 L1344 | F1278-I1340 HydrophobicContact CE1-CD1 4.14Å; L1279-I1340 HydrophobicContact CD2-CG1 3.73Å; V1282-I1340 HydrophobicContact CG1-CG2 4.47Å; C1336-I1340 HydrophobicContact CB-CD1 4.17Å; C1336-I1340 PolarHBondContact O-N 2.89Å; E1337-I1340 PolarHBondContact O-N 2.82Å; I1340-I1343 PolarHBondContact O-N 3.04Å; I1340-L1344 HydrophobicContact CG2-CD1 4.08Å; I1340-L1344 WeakPolarHBondContact O-CG 3.42Å; I1340-L1344 PolarHBondContact O-N 3.05Å |
| 1341 | K | 75.1 | Confident | 71 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 176.5 | -159.9 | 179.4 | -178.5 | -176.9 | 0 | 112 | E1337 H1339 I1343 L1344 E1345 | E1337-K1341 PolarHBondContact O-N 3.44Å; H1339-K1341 VanDerWaalsContact C-N 3.27Å; H1339-K1341 PolarHBondContact O-N 2.99Å; K1341-I1343 VanDerWaalsContact C-N 3.31Å; K1341-I1343 PolarHBondContact O-N 2.89Å; K1341-L1344 PolarHBondContact O-N 3.41Å; K1341-L1344 VanDerWaalsContact O-N 3.17Å; K1341-E1345 WeakPolarHBondContact CE-OE1 3.44Å; K1341-E1345 HydrophobicContact CG-CG 4.46Å; K1341-E1345 WeakPolarHBondContact CG-OE1 3.47Å; K1341-E1345 WeakPolarHBondContact O-CB 3.16Å; K1341-E1345 VanDerWaalsContact O-CG 3.32Å; K1341-E1345 WeakPolarHBondContact O-CG 3.09Å; K1341-E1345 PolarHBondContact O-N 3.22Å |
| 1342 | I | 75.1 | Confident | 69.2 | Low | 81 Ų | 81 | 68.6 Ų | 68.6 | 42% | 0.415 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 175.3 | -68.2 | 163.2 | 0 | 0 | 0 | 112.3 | P1338 H1339 K1346 | P1338-I1342 WeakPolarHBondContact O-CD1 3.44Å; P1338-I1342 VanDerWaalsContact O-CG1 3.29Å; P1338-I1342 WeakPolarHBondContact O-CG1 3.23Å; P1338-I1342 PolarHBondContact O-N 2.67Å; H1339-I1342 PolarHBondContact O-N 2.84Å; I1342-K1346 HydrophobicContact CG2-CD 4.36Å; I1342-K1346 WeakPolarHBondContact O-CB 3.33Å; I1342-K1346 WeakPolarHBondContact O-CG 3.43Å; I1342-K1346 PolarHBondContact O-N 3.02Å |
| 1343 | I | 72.3 | Confident | 67.2 | Low | 35 Ų | 35 | 76.3 Ų | 76.3 | 18% | 0.179 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.9 | -72.1 | 162.7 | 0 | 0 | 0 | 110.7 | L1279 H1339 I1340 K1341 V1347 | L1279-I1343 HydrophobicContact CB-CD1 4.5Å; L1279-I1343 HydrophobicContact CD2-CD1 4.22Å; H1339-I1343 WeakPolarHBondContact O-CB 3.49Å; H1339-I1343 WeakPolarHBondContact O-CD1 3.31Å; H1339-I1343 VanDerWaalsContact O-CG1 3.22Å; H1339-I1343 WeakPolarHBondContact O-CG1 3.41Å; H1339-I1343 PolarHBondContact O-N 3.32Å; I1340-I1343 PolarHBondContact O-N 3.04Å; K1341-I1343 VanDerWaalsContact C-N 3.31Å; K1341-I1343 PolarHBondContact O-N 2.89Å; I1343-V1347 VanDerWaalsContact O-CG2 3.29Å; I1343-V1347 WeakPolarHBondContact O-CG2 3.43Å; I1343-V1347 PolarHBondContact O-N 3.37Å |
| 1344 | L | 69.2 | Low | 65 | Low | 27 Ų | 27 | 84.5 Ų | 84.5 | 14% | 0.141 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.9 | -47.6 | 176.3 | -68.5 | 169.1 | 0 | 0 | 0 | 111.4 | V1286 L1308 I1312 I1340 K1341 K1346 V1347 Y1348 | V1286-L1344 HydrophobicContact CG2-CD2 4.45Å; L1308-L1344 HydrophobicContact CD2-CD2 4.33Å; I1312-L1344 HydrophobicContact CD1-CD1 3.93Å; I1312-L1344 HydrophobicContact CD1-CD2 4.13Å; I1340-L1344 HydrophobicContact CG2-CD1 4.08Å; I1340-L1344 WeakPolarHBondContact O-CG 3.42Å; I1340-L1344 PolarHBondContact O-N 3.05Å; K1341-L1344 PolarHBondContact O-N 3.41Å; K1341-L1344 VanDerWaalsContact O-N 3.17Å; L1344-K1346 PolarHBondContact O-N 3.05Å; L1344-V1347 PolarHBondContact O-N 3.48Å; L1344-Y1348 WeakPolarHBondContact O-CD2 3.43Å; L1344-Y1348 PolarHBondContact O-N 2.85Å |
| 1345 | E | 68.6 | Low | 62.6 | Low | 92 Ų | 92 | 87 Ų | 87 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.5 | -47.3 | 178.4 | -74.6 | 166.5 | 170.7 | 0 | 0 | 111.3 | K1341 V1347 Y1348 E1349 | K1341-E1345 WeakPolarHBondContact CE-OE1 3.44Å; K1341-E1345 HydrophobicContact CG-CG 4.46Å; K1341-E1345 WeakPolarHBondContact CG-OE1 3.47Å; K1341-E1345 WeakPolarHBondContact O-CB 3.16Å; K1341-E1345 VanDerWaalsContact O-CG 3.32Å; K1341-E1345 WeakPolarHBondContact O-CG 3.09Å; K1341-E1345 PolarHBondContact O-N 3.22Å; E1345-V1347 VanDerWaalsContact C-N 3.3Å; E1345-V1347 PolarHBondContact O-N 2.96Å; E1345-Y1348 PolarHBondContact O-N 2.75Å; E1345-E1349 WeakPolarHBondContact O-CG 3.38Å; E1345-E1349 PolarHBondContact O-N 2.84Å |
| 1346 | K | 60.7 | Low | 60 | Low | 122 Ų | 122 | 95 Ų | 95 | 53% | 0.53 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -29.6 | 175.8 | -76.3 | -173.7 | 172.1 | -170.9 | 0 | 114.6 | I1342 L1344 I1350 | I1342-K1346 HydrophobicContact CG2-CD 4.36Å; I1342-K1346 WeakPolarHBondContact O-CB 3.33Å; I1342-K1346 WeakPolarHBondContact O-CG 3.43Å; I1342-K1346 PolarHBondContact O-N 3.02Å; L1344-K1346 PolarHBondContact O-N 3.05Å; K1346-I1350 WeakPolarHBondContact O-CD1 3.07Å; K1346-I1350 VanDerWaalsContact O-CG1 3.26Å; K1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; K1346-I1350 PolarHBondContact O-N 2.85Å |
| 1347 | V | 60.8 | Low | 57.5 | Low | 31 Ų | 31 | 100.6 Ų | 100.6 | 19% | 0.188 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -76.5 | -33.8 | 176.3 | 168 | 0 | 0 | 0 | 0 | 110.7 | V1286 V1290 I1343 L1344 E1345 I1350 S1351 | V1286-V1347 HydrophobicContact CG1-CB 4.16Å; V1286-V1347 HydrophobicContact CG1-CG1 3.82Å; V1286-V1347 HydrophobicContact CG1-CG2 3.75Å; V1290-V1347 HydrophobicContact CG2-CG1 3.87Å; I1343-V1347 VanDerWaalsContact O-CG2 3.29Å; I1343-V1347 WeakPolarHBondContact O-CG2 3.43Å; I1343-V1347 PolarHBondContact O-N 3.37Å; L1344-V1347 PolarHBondContact O-N 3.48Å; E1345-V1347 VanDerWaalsContact C-N 3.3Å; E1345-V1347 PolarHBondContact O-N 2.96Å; V1347-I1350 PolarHBondContact O-N 2.96Å; V1347-S1351 PolarHBondContact O-N 3.02Å |
| 1348 | Y | 57.5 | Low | 55 | Low | 140 Ų | 140 | 102.9 Ų | 102.9 | 55% | 0.549 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 169.2 | -76 | -66.6 | 0 | 0 | 0 | 112.4 | L1344 E1345 I1350 S1351 D1352 | L1344-Y1348 WeakPolarHBondContact O-CD2 3.43Å; L1344-Y1348 PolarHBondContact O-N 2.85Å; E1345-Y1348 PolarHBondContact O-N 2.75Å; Y1348-I1350 VanDerWaalsContact C-N 3.27Å; Y1348-I1350 PolarHBondContact O-N 3.42Å; Y1348-S1351 WeakPolarHBondContact CA-OG 3.32Å; Y1348-S1351 PolarHBondContact O-N 3.27Å; Y1348-S1351 PolarHBondContact O-OG 3.11Å; Y1348-D1352 WeakPolarHBondContact O-CB 3.32Å; Y1348-D1352 PolarHBondContact O-N 3.16Å |
| 1349 | E | 52.6 | Low | 52.6 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55.3 | -41.7 | 172 | -72.7 | -178.6 | 137.7 | 0 | 0 | 112 | E1345 S1351 D1352 | E1345-E1349 WeakPolarHBondContact O-CG 3.38Å; E1345-E1349 PolarHBondContact O-N 2.84Å; E1349-S1351 VanDerWaalsContact C-N 3.32Å; E1349-S1351 PolarHBondContact O-N 3.43Å; E1349-D1352 PolarHBondContact O-N 3.32Å |
| 1350 | I | 49.5 | Very low | 50.1 | Low | 128 Ų | 128 | 108.4 Ų | 108.4 | 66% | 0.656 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.8 | -27.3 | 178 | -69.6 | 165.5 | 0 | 0 | 0 | 112.4 | K1346 V1347 Y1348 | K1346-I1350 WeakPolarHBondContact O-CD1 3.07Å; K1346-I1350 VanDerWaalsContact O-CG1 3.26Å; K1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; K1346-I1350 PolarHBondContact O-N 2.85Å; V1347-I1350 PolarHBondContact O-N 2.96Å; Y1348-I1350 VanDerWaalsContact C-N 3.27Å; Y1348-I1350 PolarHBondContact O-N 3.42Å |
| 1351 | S | 46.7 | Very low | 47.7 | Very low | 63 Ų | 63 | 111 Ų | 111 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82 | -32 | 171.5 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | V1347 Y1348 E1349 E1353 K1354 | V1347-S1351 PolarHBondContact O-N 3.02Å; Y1348-S1351 WeakPolarHBondContact CA-OG 3.32Å; Y1348-S1351 PolarHBondContact O-N 3.27Å; Y1348-S1351 PolarHBondContact O-OG 3.11Å; E1349-S1351 VanDerWaalsContact C-N 3.32Å; E1349-S1351 PolarHBondContact O-N 3.43Å; S1351-E1353 VanDerWaalsContact C-N 3.35Å; S1351-E1353 PolarHBondContact O-N 2.81Å; S1351-K1354 PolarHBondContact O-N 2.79Å |
| 1352 | D | 41.8 | Very low | 45.4 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.9 | -19.4 | -172 | -81.5 | 1.8 | 0 | 0 | 0 | 113.8 | Y1348 E1349 K1354 | Y1348-D1352 WeakPolarHBondContact O-CB 3.32Å; Y1348-D1352 PolarHBondContact O-N 3.16Å; E1349-D1352 PolarHBondContact O-N 3.32Å; D1352-K1354 PolarHBondContact O-N 3.07Å |
| 1353 | E | 41.1 | Very low | 43.1 | Very low | 184 Ų | 184 | 114.2 Ų | 114.2 | 86% | 0.86 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -12.6 | 171.6 | -81.4 | -153.1 | 143.2 | 0 | 0 | 113.9 | S1351 | S1351-E1353 VanDerWaalsContact C-N 3.35Å; S1351-E1353 PolarHBondContact O-N 2.81Å |
| 1354 | K | 36.9 | Very low | 40.9 | Very low | 182 Ų | 182 | 117.5 Ų | 117.5 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -121.6 | -10.6 | -179.6 | -76.6 | -176.4 | 177.7 | 173.4 | 0 | 117.4 | S1351 D1352 | S1351-K1354 PolarHBondContact O-N 2.79Å; D1352-K1354 PolarHBondContact O-N 3.07Å |
| 1355 | N | 29.8 | Very low | 38.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 68% | 0.684 | 65% | 0.649 | S | S | * | * | trans | -148.5 | 110.1 | 177.7 | -87.2 | -51.8 | 0 | 0 | 0 | 113.5 | V1357 | N1355-V1357 PolarHBondContact O-N 3.24Š| ||
| 1356 | K | 26.8 | Very low | 36.8 | Very low | 210 Ų | 210 | 123 Ų | 123 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | trans | -82.5 | 94.7 | 174.3 | -71.7 | -174.2 | 176 | -177.2 | 0 | 112.5 | ||||
| 1357 | V | 28.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | trans | -140.8 | 121.8 | 158.7 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | N1355 | N1355-V1357 PolarHBondContact O-N 3.24Š| ||
| 1358 | P | 28.4 | Very low | 33.5 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -77.9 | 134.3 | 179.8 | 31.4 | -33.7 | 0 | 0 | 0 | 111.7 | ||||
| 1359 | V | 27.1 | Very low | 32.1 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -124.3 | 141.5 | 169.4 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1360 | V | 25.4 | Very low | 30.7 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -102 | 134.1 | -159.3 | 169.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1361 | S | 27.2 | Very low | 29.6 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | 35.1 | 117.2 | 161.3 | 70 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1362 | V | 28.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -126.5 | 151.5 | 145.5 | -174.8 | 0 | 0 | 0 | 0 | 107.1 | ||
| 1363 | F | 25.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 52% | 0.522 | 76% | 0.759 | S | S | . | * | S | Bend | trans | 69.3 | 66.3 | -170.6 | -55.8 | -81.8 | 0 | 0 | 0 | 115.7 | ||
| 1364 | S | 25.5 | Very low | 27 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -149.8 | 105.3 | 154.6 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1365 | S | 24.7 | Very low | 26.4 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -132 | 133.7 | 164.4 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1366 | T | 27.6 | Very low | 26.2 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 58.6 | 83.1 | 172 | 51.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1367 | T | 24.5 | Very low | 26.2 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | 44.9 | 115.7 | 120.1 | 58.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1368 | L | 28.9 | Very low | 26 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | -163.9 | 142.2 | 73.3 | -96.1 | 167.8 | 0 | 0 | 0 | 114.9 | |||||
| 1369 | V | 26.3 | Very low | 25.8 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -54.1 | 152.2 | 159.2 | 157.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1370 | E | 25 | Very low | 25.8 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | cis | -172.3 | 162.1 | -13 | -99.9 | 164.4 | -147.6 | 0 | 0 | 105.3 | ||||
| 1371 | D | 24.7 | Very low | 25.7 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | cis | -159.2 | -115.9 | -15.3 | 179 | 67.8 | 0 | 0 | 0 | 107.2 | ||||
| 1372 | D | 24.8 | Very low | 25.6 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 61.7 | 80.6 | 166.1 | -140.8 | 12.8 | 0 | 0 | 0 | 118.4 | ||||
| 1373 | M | 25.9 | Very low | 25.4 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -161.7 | 23.3 | 143.5 | -106 | -71.1 | 171.3 | 0 | 0 | 115 | N1375 | M1373-N1375 PolarHBondContact O-N 2.99Š| ||
| 1374 | V | 25 | Very low | 25.4 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 66.4 | 175.9 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1375 | N | 24.7 | Very low | 25.3 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -153.7 | 43.9 | 176.3 | -116.5 | -43.6 | 0 | 0 | 0 | 115.9 | M1373 | M1373-N1375 PolarHBondContact O-N 2.99Š| ||
| 1376 | K | 25.5 | Very low | 25.3 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -173.7 | 122.5 | 163.7 | -97.3 | 142.3 | -173.7 | 175 | 0 | 105.7 | ||
| 1377 | I | 27.5 | Very low | 25 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | -137.1 | 107.6 | 23.1 | -67.5 | 147.9 | 0 | 0 | 0 | 110.4 | ||||
| 1378 | Q | 24 | Very low | 25.1 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -104 | 70.3 | 153.4 | -82.9 | -164.6 | -9 | 0 | 0 | 109.3 | ||||
| 1379 | K | 24.3 | Very low | 24.9 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -167.1 | 74.8 | 169.7 | -117.3 | 166.9 | -170.9 | 175.2 | 0 | 114.6 | ||||
| 1380 | K | 26.3 | Very low | 24.8 | Very low | 217 Ų | 217 | 152 Ų | 152 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | -173.5 | 125.4 | 127.6 | -106.4 | 178.6 | 177.8 | -173.3 | 0 | 110.8 | |||||
| 1381 | Q | 23.4 | Very low | 24.7 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -132.7 | 153.9 | 176.5 | -134.4 | -173.9 | -4.2 | 0 | 0 | 107 | ||||
| 1382 | I | 24.8 | Very low | 24.7 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | trans | 63.5 | 107.6 | 156.2 | -58.6 | 158.2 | 0 | 0 | 0 | 117 | ||||
| 1383 | M | 25.2 | Very low | 24.7 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | 167.5 | 113.4 | 101.1 | -123.9 | 142.6 | 176.7 | 0 | 0 | 107.7 | |||||
| 1384 | E | 24.5 | Very low | 24.6 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | 77.5 | 145.1 | 87.8 | -76.3 | -165.6 | 161.6 | 0 | 0 | 114 | |||||
| 1385 | V | 23.9 | Very low | 24.5 | Very low | 108 Ų | 108 | 152 Ų | 152 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | cis | -162.2 | 177 | -5.8 | 109.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1386 | N | 24.3 | Very low | 24.5 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 82.4 | 148.4 | 168.4 | -69.6 | -30.3 | 0 | 0 | 0 | 119.6 | ||||
| 1387 | S | 22 | Very low | 24.5 | Very low | 101 Ų | 101 | 152.1 Ų | 152.1 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | 179.3 | 116.3 | -36.5 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1388 | S | 25.5 | Very low | 24.2 | Very low | 112 Ų | 112 | 154.7 Ų | 154.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -177.1 | 141.4 | 157.9 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1389 | S | 26.1 | Very low | 24.3 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 45.8 | 118.9 | 164.5 | 55.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1390 | I | 23.4 | Very low | 24.2 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | cis | 57.7 | 64.6 | 29 | -41.2 | -178.6 | 0 | 0 | 0 | 113.6 | ||||
| 1391 | T | 23.3 | Very low | 24.1 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -166.8 | 163.5 | 138 | 24.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1392 | H | 25.3 | Very low | 24.1 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 61% | 0.611 | 76% | 0.758 | S | S | * | * | trans | 64.8 | 45.8 | 174 | -69.8 | -69.1 | 0 | 0 | 0 | 119.1 | Y1394 | H1392-Y1394 PolarHBondContact ND1-O 3.17Š| ||
| 1393 | T | 24.1 | Very low | 24 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | S | Bend | -69.6 | 149.2 | 121.6 | -26.2 | 0 | 0 | 0 | 0 | 107.9 | |||
| 1394 | Y | 24.1 | Very low | 23.8 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 70 | 82.3 | -161.2 | -64.1 | -91.6 | 0 | 0 | 0 | 115 | H1392 | H1392-Y1394 PolarHBondContact ND1-O 3.17Š| ||
| 1395 | Q | 22.9 | Very low | 23.7 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -162.4 | 41.3 | 148.3 | -122.2 | 177.7 | 21.3 | 0 | 0 | 116 | ||||
| 1396 | Y | 24.8 | Very low | 23.7 | Very low | 236 Ų | 236 | 147.5 Ų | 147.5 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -126.8 | 45.6 | 172.8 | -94.1 | -75.4 | 0 | 0 | 0 | 113.8 | ||
| 1397 | S | 24.1 | Very low | 23.6 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -142 | 41.2 | 178.5 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1398 | R | 23 | Very low | 23.5 | Very low | 202 Ų | 202 | 150 Ų | 150 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 18.3 | 174.1 | -139.1 | 173.6 | -174.4 | 171.5 | 0.7 | 116.4 | C1400 | R1398-C1400 PolarHBondContact O-N 3.38Š| ||
| 1399 | A | 24.3 | Very low | 23.5 | Very low | 91 Ų | 91 | 152.9 Ų | 152.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1400 | C | 24 | Very low | 23.3 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 44.4 | 175.7 | -67 | 0 | 0 | 0 | 0 | 111.5 | R1398 | R1398-C1400 PolarHBondContact O-N 3.38Š|
| 1401 | Q | 23.4 | Very low | 23.3 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -150.9 | 72.7 | 175.5 | -153.4 | 175.2 | 30.5 | 0 | 0 | 110.6 | ||||
| 1402 | L | 23.3 | Very low | 23.2 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -133.9 | 148.6 | 172.5 | -84.4 | 171.7 | 0 | 0 | 0 | 109.9 | ||||
| 1403 | N | 22.2 | Very low | 23.1 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 63.4 | 67.9 | 176.7 | -58.8 | 6.5 | 0 | 0 | 0 | 115.9 | ||
| 1404 | L | 22.4 | Very low | 23 | Very low | 127 Ų | 127 | 156.2 Ų | 156.2 | 67% | 0.665 | 81% | 0.805 | S | S | * | * | trans | -171.8 | 86.5 | 132 | -106.1 | 161.1 | 0 | 0 | 0 | 111.9 | Y1067 | Y1067-L1404 HydrophobicContact CD1-CD1 3.89Å; Y1067-L1404 HydrophobicContact CE1-CD1 3.26Å | ||
| 1405 | E | 21.5 | Very low | 23 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -173.4 | 167 | 145.4 | -113.5 | 172.3 | -146.2 | 0 | 0 | 109.9 | ||||
| 1406 | Q | 23.7 | Very low | 23.1 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 63.5 | 90.1 | 178.8 | -58.8 | -174.2 | -4 | 0 | 0 | 116.6 | ||||
| 1407 | D | 22.4 | Very low | 23.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -143 | 81.1 | 132.2 | -134.6 | -14.3 | 0 | 0 | 0 | 109 | ||||
| 1408 | C | 20.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -160.6 | 85.8 | 179.8 | -144.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1409 | L | 23.8 | Very low | 23.3 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -127.1 | 126.7 | 172 | -94 | 173.5 | 0 | 0 | 0 | 111.5 | ||||
| 1410 | I | 22.4 | Very low | 23.3 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -72.5 | 145.7 | 168.8 | -71.7 | 167.3 | 0 | 0 | 0 | 108.2 | ||||
| 1411 | P | 23.6 | Very low | 23.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -73.7 | -179.6 | -178 | 31.8 | -39 | 0 | 0 | 0 | 113.8 | ||||
| 1412 | L | 22.1 | Very low | 23.1 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 97.2 | 95.7 | 170.5 | -57.7 | 162 | 0 | 0 | 0 | 116.5 | V1414 | L1412-V1414 HydrophobicContact CB-CG2 4.44Å; L1412-V1414 HydrophobicContact CD2-CG2 4.01Å | ||
| 1413 | E | 21.9 | Very low | 23.1 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | -103.6 | 155.5 | 128.2 | -84.1 | -158.5 | 141.4 | 0 | 0 | 109.2 | |||||
| 1414 | V | 22.9 | Very low | 23.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -134.6 | 143.7 | -166.1 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | L1412 | L1412-V1414 HydrophobicContact CB-CG2 4.44Å; L1412-V1414 HydrophobicContact CD2-CG2 4.01Å | ||
| 1415 | S | 23.7 | Very low | 23 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 71.9 | 117.6 | 162.3 | 70.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1416 | K | 24.6 | Very low | 23.1 | Very low | 203 Ų | 203 | 138.6 Ų | 138.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | -116.3 | 117.8 | 112 | -73.3 | 179.7 | 179.7 | 173.9 | 0 | 105.9 | |||||
| 1417 | V | 25.1 | Very low | 23.1 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | 61.9 | 114.1 | 87.4 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1418 | G | 25 | Very low | 23.5 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | cis | -165.3 | -172.7 | 4.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1419 | P | 27 | Very low | 23.6 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -118.2 | -175.9 | -163.1 | 42.6 | -32.8 | 0 | 0 | 0 | 115.6 | ||||
| 1420 | S | 22.5 | Very low | 23.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 76.9 | 156.4 | 174 | 80.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1421 | L | 22.6 | Very low | 23.7 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | cis | -144.6 | -174.1 | 14.1 | -142.7 | 130.8 | 0 | 0 | 0 | 112 | ||||
| 1422 | L | 22.3 | Very low | 23.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | -49.3 | 149.1 | -172 | -86.7 | 65.3 | 0 | 0 | 0 | 118.5 | L1424 | L1422-L1424 HydrophobicContact CD2-CD1 4.12Å; L1422-L1424 HydrophobicContact CD2-CG 4.44Å | ||
| 1423 | D | 22.1 | Very low | 23.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | -165 | 144.6 | 102.5 | -91.5 | -18.2 | 0 | 0 | 0 | 109.1 | |||||
| 1424 | L | 22.1 | Very low | 23.8 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | 69.6 | 131.1 | 50.8 | -59.8 | -177 | 0 | 0 | 0 | 112.5 | L1422 | L1422-L1424 HydrophobicContact CD2-CD1 4.12Å; L1422-L1424 HydrophobicContact CD2-CG 4.44Å | |||
| 1425 | T | 21.7 | Very low | 23.8 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | cis | -165.6 | 169.6 | -6.5 | 1.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1426 | L | 22.6 | Very low | 23.9 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | 70.5 | 136.2 | 162.2 | -56.6 | 137.4 | 0 | 0 | 0 | 116.7 | ||||
| 1427 | S | 22.9 | Very low | 23.8 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | 81.8 | 153.3 | 13.8 | 92.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1428 | P | 32.4 | Very low | 23.8 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | cis | -138.7 | -140.6 | -49.6 | 40 | -19.9 | 0 | 0 | 0 | 109.9 | ||||
| 1429 | A | 23.2 | Very low | 23.8 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | 73.4 | 152.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1430 | K | 23.7 | Very low | 24.1 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | cis | -160.2 | -176 | -10.3 | -116 | -177.4 | -168.5 | -162.7 | 0 | 107.4 | E1432 | K1430-E1432 WeakPolarHBondContact CE-OE1 3.2Å; K1430-E1432 IonicContact NZ-OE1 3.7Å; K1430-E1432 PolarHBondContact NZ-OE1 3.23Å | ||
| 1431 | D | 23.2 | Very low | 24.3 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | cis | -135.8 | 147.9 | 22.7 | -78 | -64.1 | 0 | 0 | 0 | 109.4 | ||||
| 1432 | E | 23 | Very low | 24.4 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | 59 | 129.3 | 75.9 | -60.7 | -171.2 | -158.9 | 0 | 0 | 114 | K1430 V1434 | K1430-E1432 WeakPolarHBondContact CE-OE1 3.2Å; K1430-E1432 IonicContact NZ-OE1 3.7Å; K1430-E1432 PolarHBondContact NZ-OE1 3.23Å; E1432-V1434 HydrophobicContact CB-CG2 4.43Å; E1432-V1434 HydrophobicContact CG-CG2 4.43Å | |||
| 1433 | T | 24.2 | Very low | 24.5 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | -126.8 | 145.3 | 51.7 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1434 | V | 22.7 | Very low | 24.4 | Very low | 107 Ų | 107 | 125 Ų | 125 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | 71.2 | 119.4 | 52.4 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | E1432 | E1432-V1434 HydrophobicContact CB-CG2 4.43Å; E1432-V1434 HydrophobicContact CG-CG2 4.43Å | |||
| 1435 | V | 23.2 | Very low | 24.6 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | cis | -159 | -179.6 | 23.5 | 79 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1436 | L | 25.5 | Very low | 24.6 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | cis | -155.6 | 160.4 | 18.7 | -116.5 | -179.8 | 0 | 0 | 0 | 113.5 | ||||
| 1437 | K | 23.5 | Very low | 24.6 | Very low | 173 Ų | 173 | 128 Ų | 128 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -17.4 | 161.7 | 156.3 | -67.6 | 176.4 | -171.8 | 178.4 | 0 | 121.9 | ||||
| 1438 | N | 24.7 | Very low | 24.6 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | cis | -137 | 147.8 | 23.2 | -83.8 | -56.4 | 0 | 0 | 0 | 115.7 | ||||
| 1439 | N | 25.7 | Very low | 24.1 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -141.3 | -178.4 | 150.4 | -123.2 | -20.2 | 0 | 0 | 0 | 105.4 | ||||
| 1440 | P | 32.4 | Very low | 24 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | cis | -137.1 | -159.8 | 24.3 | 36.5 | -10.7 | 0 | 0 | 0 | 113.1 | ||||
| 1441 | V | 26.9 | Very low | 23.8 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | -165.6 | 115.5 | 67.7 | 170.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1442 | H | 24.6 | Very low | 23.6 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | 54.6 | 141.7 | 99 | -70.1 | -75.5 | 0 | 0 | 0 | 117 | |||||
| 1443 | C | 24 | Very low | 23.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | cis | -140.8 | 128.4 | 23.3 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1444 | S | 21.3 | Very low | 23.5 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | 60 | 121.9 | 84.4 | 78.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1445 | V | 24.8 | Very low | 23.4 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -164.1 | 159.3 | 134.3 | 143.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1446 | L | 22.6 | Very low | 23.4 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -75 | 160 | -162.9 | -74.2 | 145.5 | 0 | 0 | 0 | 119.4 | ||||
| 1447 | L | 22.5 | Very low | 23.2 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 87.9 | 133.8 | 145.4 | -77.1 | 157.4 | 0 | 0 | 0 | 122.3 | ||||
| 1448 | D | 21.7 | Very low | 23.1 | Very low | 141 Ų | 141 | 122.3 Ų | 122.3 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | 54.7 | 75.8 | 151.9 | -60 | -9.4 | 0 | 0 | 0 | 120.9 | ||||
| 1449 | S | 22.3 | Very low | 22.9 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -178.1 | -179.4 | 141.2 | 37.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1450 | H | 21 | Very low | 22.7 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | 82.3 | 171.5 | 166.7 | -72.8 | -85.7 | 0 | 0 | 0 | 119.9 | ||||
| 1451 | H | 19.6 | Very low | 22.2 | Very low | 153 Ų | 153 | 117.6 Ų | 117.6 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | trans | -72.6 | 170.9 | -159.2 | -96.5 | -127.4 | 0 | 0 | 0 | 114.4 | ||||
| 1452 | A | 20.5 | Very low | 22.1 | Very low | 76 Ų | 76 | 115.8 Ų | 115.8 | 63% | 0.628 | 68% | 0.684 | S | S | * | * | trans | -46.4 | 153.7 | 155 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1453 | S | 21.6 | Very low | 21.9 | Very low | 101 Ų | 101 | 114.8 Ų | 114.8 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | 73 | 141.2 | 134.1 | 59.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1454 | L | 22.1 | Very low | 21.8 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | cis | -159.1 | -164.9 | -1.4 | -123.1 | 159.1 | 0 | 0 | 0 | 110.5 | V108 | V108-L1454 HydrophobicContact CG2-CB 4.46Å; V108-L1454 HydrophobicContact CG2-CD1 3.29Å; V108-L1454 HydrophobicContact CG2-CD2 3.57Å; V108-L1454 HydrophobicContact CG2-CG 3.92Å | ||
| 1455 | D | 21.8 | Very low | 21.8 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 39% | 0.385 | 68% | 0.68 | S | S | . | * | trans | 69 | 129.7 | 155.6 | -57.9 | -37.4 | 0 | 0 | 0 | 120.3 | V108 | V108-D1455 VanDerWaalsContact CB-OD1 3.3Å; V108-D1455 WeakPolarHBondContact CB-OD1 3.48Å; V108-D1455 WeakPolarHBondContact CG1-OD1 3.23Å; V108-D1455 WeakPolarHBondContact CG2-OD1 3.46Å | ||
| 1456 | N | 21.7 | Very low | 21.6 | Very low | 157 Ų | 157 | 114.8 Ų | 114.8 | 84% | 0.84 | 67% | 0.668 | S | S | * | * | 169.3 | 149.1 | 106.9 | -92.8 | -74 | 0 | 0 | 0 | 109.2 | |||||
| 1457 | S | 22.3 | Very low | 21.5 | Very low | 91 Ų | 91 | 114.5 Ų | 114.5 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | cis | -164.5 | 178.1 | -10.9 | 85.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1458 | S | 21.8 | Very low | 21.5 | Very low | 67 Ų | 67 | 114.7 Ų | 114.7 | 47% | 0.469 | 66% | 0.664 | S | S | . | * | cis | -176 | 152.9 | -10.6 | 39 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1459 | C | 20.5 | Very low | 21.4 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 78% | 0.777 | 67% | 0.667 | S | S | * | * | trans | 69.7 | 155.7 | 165.1 | -54.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1460 | S | 21 | Very low | 21.4 | Very low | 112 Ų | 112 | 113.5 Ų | 113.5 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | cis | -144.7 | 166.1 | 2.5 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1461 | T | 21.2 | Very low | 21.3 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | trans | -68.7 | -175.3 | 166.5 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | S112 | S112-T1461 VanDerWaalsContact O-CG2 3.28Å; S112-T1461 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1462 | P | 24.6 | Very low | 21.4 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | cis | -145 | -162.3 | 11.3 | 33.6 | -6.9 | 0 | 0 | 0 | 117.1 | E114 | E114-P1462 VanDerWaalsContact OE1-CB 3.23Å; E114-P1462 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 1463 | I | 21.3 | Very low | 21.4 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 70% | 0.703 | 67% | 0.674 | S | S | * | * | trans | 83.2 | 102.2 | 160.9 | -55.1 | 173.2 | 0 | 0 | 0 | 115.8 | ||||
| 1464 | I | 21.9 | Very low | 21.4 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | 86 | 123.4 | 56.5 | -64.4 | 158.8 | 0 | 0 | 0 | 114.1 | F116 | F116-I1464 HydrophobicContact CE2-CD1 4.42Å; F116-I1464 HydrophobicContact CZ-CD1 3.82Å; F116-I1464 HydrophobicContact CZ-CG1 4.45Å | |||
| 1465 | L | 20.4 | Very low | 21.5 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 89% | 0.885 | 67% | 0.674 | S | S | * | * | -171 | 151.2 | 121.8 | -101 | 175.5 | 0 | 0 | 0 | 113.1 | |||||
| 1466 | S | 22 | Very low | 21.5 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | trans | -145.2 | 174.1 | -172.8 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1467 | N | 19.7 | Very low | 22 | Very low | 144 Ų | 144 | 115.1 Ų | 115.1 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | trans | 150 | 121.9 | 151.6 | -74.2 | -11.6 | 0 | 0 | 0 | 108.8 | ||||
| 1468 | E | 22.3 | Very low | 22.1 | Very low | 145 Ų | 145 | 112.4 Ų | 112.4 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | cis | 90.2 | 108.9 | 48 | -80.5 | -148.1 | 156.3 | 0 | 0 | 115.9 | K78 | K78-E1468 IonicContact NZ-OE1 3.18Š| ||
| 1469 | T | 20.8 | Very low | 22.2 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 83% | 0.828 | 63% | 0.629 | S | S | * | * | 161.2 | 140.8 | 114.5 | 41.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1470 | A | 20.8 | Very low | 22.5 | Very low | 85 Ų | 85 | 114.4 Ų | 114.4 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | 71.5 | 143.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1471 | I | 20.4 | Very low | 22.7 | Very low | 149 Ų | 149 | 115.3 Ų | 115.3 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | cis | -159.7 | 136.6 | -2.4 | -112 | 165.3 | 0 | 0 | 0 | 112.8 | ||||
| 1472 | T | 20.9 | Very low | 22.8 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | trans | 32.3 | 139.4 | 159 | 69.8 | 0 | 0 | 0 | 0 | 126 | ||||
| 1473 | K | 20.3 | Very low | 22.7 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 84% | 0.839 | 66% | 0.657 | S | S | * | * | trans | 105.2 | 124.3 | 149.2 | -80.9 | -166.2 | 174 | -174.7 | 0 | 118.7 | ||||
| 1474 | H | 22 | Very low | 22.7 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 70% | 0.704 | 66% | 0.664 | S | S | * | * | trans | 53.5 | 117.1 | 159.4 | -89.8 | -74.4 | 0 | 0 | 0 | 120.5 | T1476 | H1474-T1476 PolarHBondContact O-OG1 2.64Š| ||
| 1475 | W | 24.9 | Very low | 22.7 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 63% | 0.625 | 68% | 0.676 | S | S | * | * | -63.3 | 133.7 | 126.3 | -89.3 | 41.3 | 0 | 0 | 0 | 108.5 | S1477 S1478 | W1475-S1477 VanDerWaalsContact C-N 3.34Å; W1475-S1477 VanDerWaalsContact CB-N 3.32Å; W1475-S1477 VanDerWaalsContact CD1-C 3.45Å; W1475-S1477 VanDerWaalsContact CD2-C 3.4Å; W1475-S1477 VanDerWaalsContact CG-C 3.49Å; W1475-S1477 PolarHBondContact NE1-O 3.14Å; W1475-S1478 VanDerWaalsContact CZ2-N 3.32Å | |||
| 1476 | T | 20.8 | Very low | 22.8 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 55% | 0.546 | 68% | 0.675 | S | S | . | * | S | Bend | cis | 34.1 | 50.2 | -16.8 | 41 | 0 | 0 | 0 | 0 | 117 | H1474 | H1474-T1476 PolarHBondContact O-OG1 2.64Š|
| 1477 | S | 31.4 | Very low | 22.8 | Very low | 19 Ų | 19 | 134.4 Ų | 134.4 | 13% | 0.133 | 68% | 0.682 | C | S | . | * | S | Bend | trans | 53 | 176.8 | 163.5 | 65.3 | 0 | 0 | 0 | 0 | 119.9 | L553 W1475 | L553-S1477 VanDerWaalsContact CG-CB 3.44Å; L553-S1477 VanDerWaalsContact CG-OG 3.25Å; L553-S1477 WeakPolarHBondContact CG-OG 3.35Å; W1475-S1477 VanDerWaalsContact C-N 3.34Å; W1475-S1477 VanDerWaalsContact CB-N 3.32Å; W1475-S1477 VanDerWaalsContact CD1-C 3.45Å; W1475-S1477 VanDerWaalsContact CD2-C 3.4Å; W1475-S1477 VanDerWaalsContact CG-C 3.49Å; W1475-S1477 PolarHBondContact NE1-O 3.14Å |
| 1478 | S | 24.8 | Very low | 23 | Very low | 33 Ų | 33 | 135.5 Ų | 135.5 | 23% | 0.231 | 69% | 0.688 | C | S | . | * | S | Bend | trans | 42.3 | 110 | 143.1 | 58.4 | 0 | 0 | 0 | 0 | 118.3 | W1475 | W1475-S1478 VanDerWaalsContact CZ2-N 3.32Š|
| 1479 | Y | 24.6 | Very low | 23.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 47% | 0.467 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -18.8 | 151.3 | 151.7 | -76.6 | -71.4 | 0 | 0 | 0 | 117.3 | D28 W74 | D28-Y1479 PolarHBondContact OD1-OH 3.13Å; W74-Y1479 HydrophobicContact CH2-CD1 4.38Å; W74-Y1479 AromaticContact CH2-CE1 3.82Å; W74-Y1479 HydrophobicContact CH2-CE1 3.82Å; W74-Y1479 HydrophobicContact CZ3-CD1 4.27Å; W74-Y1479 AromaticContact CZ3-CE1 3.44Å; W74-Y1479 HydrophobicContact CZ3-CE1 3.44Å; W74-Y1479 VanDerWaalsContact CZ3-CE1 3.44Å; W74-Y1479 HydrophobicContact CZ3-CE2 4.45Å; W74-Y1479 AromaticContact CZ3-CZ 3.57Å |
| 1480 | P | 27.4 | Very low | 23.2 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 70% | 0.696 | S | S | * | * | -117.4 | -171.8 | -101.1 | 42.7 | -40.5 | 0 | 0 | 0 | 117.2 | |||||
| 1481 | D | 23.3 | Very low | 23.6 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | 76 | 83.7 | 158.2 | -73.6 | -0.8 | 0 | 0 | 0 | 121.3 | ||||
| 1482 | R | 23.3 | Very low | 23.7 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 71% | 0.709 | S | S | * | * | trans | -163.9 | 161.2 | 137.7 | -94.5 | 126 | -134.4 | -170 | 4 | 109.8 | ||||
| 1483 | W | 24.3 | Very low | 24 | Very low | 231 Ų | 231 | 135.7 Ų | 135.7 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | cis | -128.5 | -107.9 | 8.2 | -117.2 | 120.6 | 0 | 0 | 0 | 112.2 | ||||
| 1484 | K | 21 | Very low | 24.2 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | trans | -144.8 | 160.6 | 168.9 | -82.7 | -174.5 | 177.7 | 177.3 | 0 | 110.4 | ||||
| 1485 | S | 22.2 | Very low | 24.1 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -66.6 | 136.9 | -177 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1486 | V | 22.4 | Very low | 24 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -137.1 | 148.3 | 147.7 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1487 | N | 22 | Very low | 24.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -82.3 | 136 | 179.5 | -52.4 | -46.8 | 0 | 0 | 0 | 111.2 | ||||
| 1488 | D | 23.3 | Very low | 23.6 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -167.8 | 170.6 | 133.9 | -105 | -31.7 | 0 | 0 | 0 | 111.5 | ||||
| 1489 | L | 23.3 | Very low | 23.5 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -110.4 | 123.8 | -161.4 | -79.8 | 133.3 | 0 | 0 | 0 | 116 | ||||
| 1490 | G | 24 | Very low | 23.4 | Very low | 74 Ų | 74 | 148.4 Ų | 148.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 86.5 | 175.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1491 | P | 28.6 | Very low | 23.2 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | cis | -112 | 153.1 | 0.4 | 38.4 | -28.4 | 0 | 0 | 0 | 114.3 | ||||
| 1492 | L | 23.8 | Very low | 23.3 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -92.1 | 130.6 | 162 | -79.4 | 160.7 | 0 | 0 | 0 | 109.5 | R1494 | L1492-R1494 PolarHBondContact O-N 3.41Š| ||
| 1493 | G | 25.8 | Very low | 23.4 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -68.1 | 117.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1494 | R | 24.2 | Very low | 23.6 | Very low | 226 Ų | 226 | 144.1 Ų | 144.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 64.2 | 75.9 | 74.6 | -73.2 | -166.8 | 168.1 | -169.4 | -3.5 | 113.7 | L1492 V1496 | L1492-R1494 PolarHBondContact O-N 3.41Å; R1494-V1496 HydrophobicContact CB-CG2 4.24Å; R1494-V1496 PolarHBondContact O-N 3.21Å; R1494-V1496 VanDerWaalsContact O-N 3.16Å | |||
| 1495 | L | 21.8 | Very low | 23.9 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -59.6 | 104.9 | 146.1 | -127.2 | 162.1 | 0 | 0 | 0 | 107.8 | V1497 | L1495-V1497 HydrophobicContact CD2-CG2 4.17Å; L1495-V1497 PolarHBondContact O-N 2.67Å | ||
| 1496 | V | 21.9 | Very low | 24.1 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 62% | 0.624 | 80% | 0.797 | S | S | * | * | trans | -92.4 | 84.8 | 175 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | R1494 L1498 | R1494-V1496 HydrophobicContact CB-CG2 4.24Å; R1494-V1496 PolarHBondContact O-N 3.21Å; R1494-V1496 VanDerWaalsContact O-N 3.16Å; V1496-L1498 HydrophobicContact CG1-CD2 4.19Å; V1496-L1498 HydrophobicContact CG1-CG 4.42Å; V1496-L1498 PolarHBondContact O-N 3.32Å | ||
| 1497 | V | 23.5 | Very low | 24.4 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 116.1 | 158.6 | 178.5 | 0 | 0 | 0 | 0 | 106.9 | L1495 N1499 | L1495-V1497 HydrophobicContact CD2-CG2 4.17Å; L1495-V1497 PolarHBondContact O-N 2.67Å; V1497-N1499 PolarHBondContact O-N 2.81Å | ||
| 1498 | L | 20.9 | Very low | 24.7 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 75 | 175.7 | -77.5 | 172.3 | 0 | 0 | 0 | 110.7 | V1496 L1500 | V1496-L1498 HydrophobicContact CG1-CD2 4.19Å; V1496-L1498 HydrophobicContact CG1-CG 4.42Å; V1496-L1498 PolarHBondContact O-N 3.32Å; L1498-L1500 PolarHBondContact O-N 2.76Å; L1498-L1500 VanDerWaalsContact O-N 3.1Å | ||
| 1499 | N | 22.2 | Very low | 24.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | -79.4 | 87.9 | 175.6 | -166.6 | -3.5 | 0 | 0 | 0 | 109.4 | V1497 N1501 | V1497-N1499 PolarHBondContact O-N 2.81Å; N1499-N1501 PolarHBondContact O-N 3.29Å; N1499-N1501 PolarHBondContact OD1-ND2 3.1Å | ||
| 1500 | L | 22.7 | Very low | 25.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 78.4 | 176.5 | -76.5 | 170.4 | 0 | 0 | 0 | 111 | L1498 | L1498-L1500 PolarHBondContact O-N 2.76Å; L1498-L1500 VanDerWaalsContact O-N 3.1Å | ||
| 1501 | N | 22.7 | Very low | 25.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | -138.2 | 68 | 174.7 | -84.8 | -66 | 0 | 0 | 0 | 110.4 | N1499 | N1499-N1501 PolarHBondContact O-N 3.29Å; N1499-N1501 PolarHBondContact OD1-ND2 3.1Å | ||
| 1502 | E | 26.3 | Very low | 25.1 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | trans | -86.9 | 105 | 161.5 | -73.9 | -166.9 | 148.9 | 0 | 0 | 109.4 | ||||
| 1503 | T | 25 | Very low | 25.2 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -97.2 | 107.2 | 164.4 | 54.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1504 | D | 28.1 | Very low | 25.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -150.5 | 154.1 | 146.7 | -130.4 | -30.4 | 0 | 0 | 0 | 113.8 | ||||
| 1505 | T | 26.6 | Very low | 25.6 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -83.4 | 135.8 | -165 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1506 | G | 27.7 | Very low | 26 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -145.9 | -20.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1507 | S | 28.1 | Very low | 26.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | 63.7 | 131.7 | 171.8 | 77.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1508 | K | 27.9 | Very low | 26.5 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 79.7 | 119.4 | 143.6 | -76.6 | -175.1 | 176.7 | -177.7 | 0 | 123.7 | ||||
| 1509 | N | 28.3 | Very low | 27 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 99 | 119.2 | 134 | -76.3 | 42.4 | 0 | 0 | 0 | 121.2 | ||||
| 1510 | E | 27.4 | Very low | 27.3 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | 71.7 | 142.6 | 143.9 | -61.7 | 167 | -127.5 | 0 | 0 | 117.4 | ||||
| 1511 | C | 27.2 | Very low | 27.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -172.7 | 158.9 | -4.2 | -101.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1512 | L | 26.5 | Very low | 27.7 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | cis | -162.9 | 135.8 | -1 | -93.3 | 152.8 | 0 | 0 | 0 | 109.2 | ||||
| 1513 | F | 25.6 | Very low | 27.7 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | trans | 59.4 | 158.7 | 155.7 | -74.6 | -106.5 | 0 | 0 | 0 | 119.3 | ||||
| 1514 | D | 28.3 | Very low | 27.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | cis | -123.6 | 173.8 | 3.6 | -72.4 | -60.9 | 0 | 0 | 0 | 110.6 | ||||
| 1515 | G | 29.7 | Very low | 27.5 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 167.8 | 124.9 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1516 | T | 29.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 42.6 | 113.4 | 156.1 | 54.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1517 | T | 27 | Very low | 27.2 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | 58.6 | 118.3 | 76.3 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1518 | E | 29.5 | Very low | 27 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | 171 | 162.5 | 93.4 | -97.8 | -158.4 | -134.8 | 0 | 0 | 110.4 | |||||
| 1519 | N | 30.4 | Very low | 26.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | cis | -166.4 | 165.6 | -14.3 | -135 | -25.2 | 0 | 0 | 0 | 111.9 | ||||
| 1520 | L | 28.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 60.9 | 145.5 | 150.8 | -67.3 | 169.5 | 0 | 0 | 0 | 121.7 | ||||
| 1521 | A | 29.8 | Very low | 26.3 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -155.9 | 173 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1522 | D | 25.4 | Very low | 26 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 166.5 | -170.3 | -53 | -90.6 | 0 | 0 | 0 | 118.1 | ||||
| 1523 | G | 26.5 | Very low | 26 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -177.6 | 79.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1524 | S | 22.4 | Very low | 25.9 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -122.3 | 127.7 | 173 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1525 | F | 26.6 | Very low | 25.9 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -150.6 | 161.5 | 168.3 | -110.7 | -81.8 | 0 | 0 | 0 | 111.6 | ||||
| 1526 | N | 23.7 | Very low | 25.7 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -89.4 | 146.4 | -157.9 | -69.3 | -52.9 | 0 | 0 | 0 | 116.1 | ||||
| 1527 | A | 23 | Very low | 25.5 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | 41 | 124.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1528 | E | 25.4 | Very low | 25.4 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | -147.6 | 174.1 | 127.1 | -129.8 | 171.7 | -151.3 | 0 | 0 | 111.2 | |||||
| 1529 | Q | 22 | Very low | 25.2 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | -110.2 | 165.8 | -168.4 | -56 | -174.8 | -20.8 | 0 | 0 | 114.3 | ||||
| 1530 | R | 23.7 | Very low | 24.8 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 78% | 0.781 | 85% | 0.846 | S | S | * | * | trans | 94.5 | 115.1 | 149 | -68.3 | 177.9 | -176 | -159.1 | -4.6 | 120.6 | ||||
| 1531 | T | 23 | Very low | 24.6 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 73% | 0.73 | 85% | 0.849 | S | S | * | * | 76.2 | 125.5 | 129.2 | 56.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1532 | C | 21.2 | Very low | 24.2 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 85% | 0.845 | 86% | 0.858 | S | S | * | * | trans | 68 | 133.4 | 151.7 | -58.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1533 | S | 24.6 | Very low | 24.2 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | cis | -158.3 | 168.8 | 28.7 | 49 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1534 | V | 23.8 | Very low | 24 | Very low | 141 Ų | 141 | 157.7 Ų | 157.7 | 86% | 0.855 | 86% | 0.855 | S | S | * | * | trans | -43.6 | 126.9 | -179 | 178 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1535 | M | 28.4 | Very low | 24.1 | Very low | 257 Ų | 257 | 162 Ų | 162 | 100% | 1.266 | 86% | 0.863 | S | S | * | * | -148 | 0 | 126.3 | -136.9 | 175.2 | -167.6 | 0 | 0 | 110.5 |
Retrieved 1,535 of 1,535 residues in 1161.4 ms
(Link to these results)